A0A077ZHV3_TRITR Loading...

Glyceraldehyde-3-phosphate dehydrogenase

AlphaFold DB , UniProt , Accession A0A077ZHV3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 344 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
1M62.4Low94.2Very high239 Ų23944.3 Ų44.3100%1.17723%0.231SC*.  0145.50-75.2-179.8-109.900108.2
2S89.2Confident94.6Very high88 Ų8843 Ų4362%0.61524%0.236SC*.PPolyproline II helixtrans-61.1152.6171.441.60000109.9F340S2-F340 WeakPolarHBondContact O-CE1 3.46Å
3K95.9Very high94.9Very high65 Ų6544.1 Ų44.128%0.28324%0.235SC..PPolyproline II helixtrans-100.9146.3172.9-64.7176.9-168.3172.20109.3K5 N26 D29K3-K5 PolarHBondContact O-N 3.06Å; K3-N26 WeakPolarHBondContact CE-O 3.28Å; K3-N26 VanDerWaalsContact NZ-CG 3.32Å; K3-N26 PolarHBondContact NZ-O 3.49Å; K3-N26 PolarHBondContact NZ-OD1 2.69Å; K3-D29 VanDerWaalsContact CD-OD1 3.29Å; K3-D29 WeakPolarHBondContact CD-OD1 3.38Å; K3-D29 IonicContact NZ-OD1 2.65Å
4P97.8Very high95.1Very high3 Ų343.4 Ų43.42%0.01923%0.23CC..PPolyproline II helixtrans-59.8137.4171.524.2-31.3000109.9T27 V28 D29 Y100 I336 F340P4-T27 WeakPolarHBondContact CD-O 3.48Å; P4-V28 HydrophobicContact CG-CB 3.86Å; P4-V28 HydrophobicContact CG-CG1 3.55Å; P4-D29 PolarHBondContact O-N 2.84Å; P4-Y100 HydrophobicContact CB-CD2 3.75Å; P4-Y100 HydrophobicContact CB-CE2 3.97Å; P4-Y100 HydrophobicContact CB-CG 4.38Å; P4-I336 HydrophobicContact CB-CG2 3.85Å; P4-I336 HydrophobicContact CG-CG2 3.74Å; P4-F340 HydrophobicContact CB-CB 3.9Å; P4-F340 HydrophobicContact CB-CD2 3.59Å; P4-F340 HydrophobicContact CB-CE2 4.23Å; P4-F340 HydrophobicContact CB-CG 3.74Å; P4-F340 HydrophobicContact CG-CB 3.94Å; P4-F340 HydrophobicContact CG-CD1 4.39Å; P4-F340 HydrophobicContact CG-CD2 4.29Å; P4-F340 HydrophobicContact CG-CG 3.94Å
5K98.6Very high95.4Very high81 Ų8140.5 Ų40.535%0.35222%0.215SC..EExtended strand (participates in β ladder)trans-91.7119.6174.8-61.9-51.7-165.8177.50109.4K3 D29 V31 G97 E99 Y100K3-K5 PolarHBondContact O-N 3.06Å; K5-D29 WeakPolarHBondContact CA-O 3.46Å; K5-D29 HydrophobicContact CD-CB 3.89Å; K5-D29 IonicContact NZ-OD2 3.25Å; K5-D29 PolarHBondContact NZ-OD2 2.82Å; K5-V31 HydrophobicContact CB-CG1 4.49Å; K5-V31 HydrophobicContact CB-CG2 4.05Å; K5-V31 HydrophobicContact CD-CG1 3.86Å; K5-G97 WeakPolarHBondContact CB-O 3.09Å; K5-E99 PolarHBondContact O-N 3.03Å; K5-Y100 PolarHBondContact O-N 3.26Å; K5-Y100 VanDerWaalsContact O-N 3.08Å
6V98.9Very high95.6Very high1 Ų139.5 Ų39.51%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-108.6132.9-168.2-179.40000111.5I8 V28 D29 V30 V31 A32 Y100 V102 I336V6-I8 HydrophobicContact CG1-CG1 4.29Å; V6-V28 HydrophobicContact CG2-CB 3.86Å; V6-V28 HydrophobicContact CG2-CG2 3.96Å; V6-D29 PolarHBondContact N-O 3.29Å; V6-V30 HydrophobicContact CB-CG2 4.41Å; V6-V31 PolarHBondContact O-N 3.36Å; V6-A32 PolarHBondContact O-N 2.9Å; V6-Y100 CarbonylContact C-O 3.43Å; V6-Y100 VanDerWaalsContact CA-O 3.23Å; V6-Y100 WeakPolarHBondContact CA-O 3.33Å; V6-V102 HydrophobicContact CG1-CG2 4.08Å; V6-I336 HydrophobicContact CG1-CD1 4.16Å; V6-I336 HydrophobicContact CG2-CD1 4.15Å; V6-I336 HydrophobicContact CG2-CG2 3.94Å
7G98.9Very high95.8Very high0 Ų037.2 Ų37.20%020%0.195CC..EExtended strand (participates in β ladder)trans-103.6146.4164.100000110.7A32 Y100 V101 V102G7-A32 CarbonylContact C-O 3.51Å; G7-A32 VanDerWaalsContact CA-O 3.31Å; G7-A32 WeakPolarHBondContact CA-O 3.44Å; G7-Y100 PolarHBondContact N-O 3.46Å; G7-V101 CarbonylContact O-C 3.49Å; G7-V101 WeakPolarHBondContact O-CA 3.32Å; G7-V102 PolarHBondContact O-N 3.5Å
8I98.9Very high95.9Very high0 Ų035.2 Ų35.20%019%0.185CC..EExtended strand (participates in β ladder)trans-123.1121175.6-59.4176.9000109V6 G15 V18 C19 V30 A32 I33 N34 V102V6-I8 HydrophobicContact CG1-CG1 4.29Å; I8-G15 WeakPolarHBondContact CD1-O 3.26Å; I8-V18 HydrophobicContact CD1-CB 4.43Å; I8-V18 HydrophobicContact CD1-CG1 4.06Å; I8-C19 HydrophobicContact CD1-CB 3.84Å; I8-V30 HydrophobicContact CD1-CG1 4Å; I8-V30 HydrophobicContact CD1-CG2 4.17Å; I8-V30 HydrophobicContact CG1-CG1 4.33Å; I8-A32 PolarHBondContact N-O 2.92Å; I8-I33 HydrophobicContact CB-CG1 4.27Å; I8-I33 CarbonylContact O-C 3.5Å; I8-I33 WeakPolarHBondContact O-CA 3.36Å; I8-N34 PolarHBondContact O-N 2.82Å; I8-V102 HydrophobicContact CG1-CB 4.37Å
9N98.9Very high96.1Very high4 Ų433.3 Ų33.32%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-101122.7171.6-169.136.2000110.4N34 W93 V102 E103 S104 T105 H117N9-N34 PolarHBondContact OD1-ND2 3.32Å; N9-W93 HydrophobicContact CB-CH2 4.3Å; N9-W93 HydrophobicContact CB-CZ2 4.24Å; N9-V102 PolarHBondContact N-O 2.99Å; N9-E103 PolarHBondContact ND2-OE2 3.01Å; N9-S104 CarbonylContact O-C 3.56Å; N9-S104 WeakPolarHBondContact O-CA 3.44Å; N9-S104 PolarHBondContact O-N 2.84Å; N9-S104 PolarHBondContact O-OG 3.17Å; N9-T105 HydrophobicContact CB-CG2 4.31Å; N9-T105 VanDerWaalsContact ND2-CG2 3.26Å; N9-T105 WeakPolarHBondContact ND2-CG2 3.36Å; N9-T105 PolarHBondContact O-N 3.19Å; N9-H117 PolarHBondContact ND2-CE1 3.28Å; N9-H117 VanDerWaalsContact ND2-CE1 3.29Å
10G98.5Very high96.2Very high6 Ų632 Ų326%0.06217%0.168CC..  trans82.9104.9-171.800000111.7G12 N34 S104G10-G12 VanDerWaalsContact C-N 3.26Å; G10-G12 PolarHBondContact O-N 3.3Å; G10-N34 PolarHBondContact N-O 3.26Å; G10-S104 PolarHBondContact O-OG 2.91Å
11F98.6Very high96.3Very high0 Ų030.5 Ų30.50%016%0.16CC..  trans-97.142.8-177.1-156.3-128.1000111.9R16 C19 I33 D35 L38 M43 F47 L67F11-R16 HydrophobicContact CD1-CG 3.76Å; F11-R16 HydrophobicContact CD2-CG 3.88Å; F11-R16 HydrophobicContact CE1-CG 3.69Å; F11-R16 HydrophobicContact CE2-CB 4.31Å; F11-R16 HydrophobicContact CE2-CG 3.79Å; F11-R16 HydrophobicContact CG-CG 3.86Å; F11-R16 HydrophobicContact CZ-CB 4.41Å; F11-R16 HydrophobicContact CZ-CG 3.71Å; F11-R16 WeakPolarHBondContact O-CG 3.39Å; F11-R16 PolarHBondContact O-NH1 3.21Å; F11-C19 HydrophobicContact CE2-CB 4.04Å; F11-I33 HydrophobicContact CB-CG2 3.85Å; F11-I33 HydrophobicContact CD1-CG2 4.41Å; F11-I33 HydrophobicContact CD2-CD1 3.83Å; F11-I33 HydrophobicContact CD2-CG1 4.19Å; F11-I33 HydrophobicContact CD2-CG2 3.86Å; F11-I33 HydrophobicContact CE1-CD1 4.29Å; F11-I33 HydrophobicContact CE2-CD1 3.37Å; F11-I33 HydrophobicContact CE2-CG1 4.15Å; F11-I33 HydrophobicContact CG-CD1 4.47Å; F11-I33 HydrophobicContact CG-CG2 3.81Å; F11-I33 HydrophobicContact CZ-CD1 3.62Å; F11-D35 HydrophobicContact CB-CB 4.05Å; F11-D35 PolarHBondContact N-OD2 2.87Å; F11-L38 HydrophobicContact CB-CD1 4.1Å; F11-L38 HydrophobicContact CD1-CD1 4.43Å; F11-M43 HydrophobicContact CD1-CB 4.05Å; F11-M43 HydrophobicContact CD1-CG 3.91Å; F11-M43 HydrophobicContact CD1-SD 4.39Å; F11-M43 HydrophobicContact CE1-CB 4.03Å; F11-M43 HydrophobicContact CE1-CG 4.38Å; F11-F47 HydrophobicContact CE1-CB 4.31Å; F11-F47 HydrophobicContact CE1-CD2 4.41Å; F11-F47 HydrophobicContact CZ-CB 4.36Å; F11-F47 AromaticContact CZ-CD2 3.68Å; F11-F47 HydrophobicContact CZ-CD2 3.68Å; F11-F47 HydrophobicContact CZ-CE2 4.45Å; F11-F47 HydrophobicContact CZ-CG 4.36Å; F11-L67 HydrophobicContact CZ-CD2 4.42Å
12G98.1Very high98Very high29 Ų2919.1 Ų19.130%0.29910%0.104SC..SBendtrans-78.7-154.7174.700000113.2G10 R16G10-G12 VanDerWaalsContact C-N 3.26Å; G10-G12 PolarHBondContact O-N 3.3Å; G12-R16 WeakPolarHBondContact O-CB 3.25Å; G12-R16 WeakPolarHBondContact O-CG 3.37Å; G12-R16 PolarHBondContact O-N 3.29Å; G12-R16 PolarHBondContact O-NH1 2.9Å
13R98.4Very high98.3Very high57 Ų5714.9 Ų14.922%0.2157%0.074CC..Hα-helixtrans-52.7-58.1179-63.4-59.1-58.9156.99.6111.7L17 D50 T52 H53 E325R13-L17 WeakPolarHBondContact O-CB 3.42Å; R13-L17 WeakPolarHBondContact O-CD1 3.32Å; R13-L17 VanDerWaalsContact O-CG 3.26Å; R13-L17 WeakPolarHBondContact O-CG 3.14Å; R13-L17 PolarHBondContact O-N 2.93Å; R13-D50 IonicContact CZ-OD1 3.38Å; R13-D50 IonicContact CZ-OD2 3.35Å; R13-D50 IonicContact NH1-OD1 3.97Å; R13-D50 PolarHBondContact NH1-OD1 3.39Å; R13-D50 IonicContact NH1-OD2 3.98Å; R13-D50 PolarHBondContact NH1-OD2 3.13Å; R13-D50 IonicContact NH2-OD1 2.79Å; R13-D50 PolarHBondContact NH2-OD1 3.4Å; R13-D50 VanDerWaalsContact NH2-OD1 3.1Å; R13-D50 IonicContact NH2-OD2 3.03Å; R13-D50 PolarHBondContact NH2-OD2 3.25Å; R13-T52 PolarHBondContact NH2-OG1 3.15Å; R13-H53 PolarHBondContact NH2-CD2 3.2Å; R13-H53 VanDerWaalsContact NH2-CD2 3.33Å; R13-H53 PolarHBondContact NH2-NE2 3.19Å; R13-E325 VanDerWaalsContact CB-OE1 3.31Å; R13-E325 WeakPolarHBondContact CB-OE1 3.46Å; R13-E325 WeakPolarHBondContact CD-OE1 3.48Å; R13-E325 WeakPolarHBondContact CG-OE1 3.07Å; R13-E325 IonicContact CZ-OE1 2.8Å; R13-E325 IonicContact CZ-OE2 2.68Å; R13-E325 VanDerWaalsContact NE-CD 3.28Å; R13-E325 IonicContact NE-OE1 2.91Å; R13-E325 PolarHBondContact NE-OE1 3.25Å; R13-E325 IonicContact NE-OE2 2.69Å; R13-E325 PolarHBondContact NE-OE2 3.17Å; R13-E325 IonicContact NH2-OE1 2.83Å; R13-E325 IonicContact NH2-OE2 3.26Å; R13-E325 PolarHBondContact NH2-OE2 3.15Å
14I98.7Very high98.3Very high34 Ų3414 Ų1417%0.1747%0.071CC..Hα-helixtrans-66.2-48.2-178.6-56.5-53.5000111.5R16 L17 V18 Y328I14-R16 VanDerWaalsContact C-N 3.34Å; I14-R16 PolarHBondContact O-N 3.09Å; I14-L17 PolarHBondContact O-N 3.02Å; I14-L17 VanDerWaalsContact O-N 3.14Å; I14-V18 HydrophobicContact CG2-CG2 3.88Å; I14-V18 WeakPolarHBondContact O-CB 3.48Å; I14-V18 VanDerWaalsContact O-CG2 3.29Å; I14-V18 WeakPolarHBondContact O-CG2 3.21Å; I14-V18 PolarHBondContact O-N 3.38Å; I14-Y328 HydrophobicContact CD1-CD1 4.09Å; I14-Y328 HydrophobicContact CG2-CD1 4.25Å; I14-Y328 HydrophobicContact CG2-CE1 4.24Å
15G98.7Very high98.2Very high0 Ų016.6 Ų16.60%08%0.082CC..Hα-helixtrans-56.9-43.3-178.900000113.6I8 C19I8-G15 WeakPolarHBondContact CD1-O 3.26Å; G15-C19 PolarHBondContact O-N 3.28Å; G15-C19 VanDerWaalsContact O-N 3.13Å
16R98.8Very high98.1Very high25 Ų2515.4 Ų15.49%0.0948%0.08CC..Hα-helixtrans-66.4-41.7176.2-68.1-165.7-54.5-85.73112.4F11 G12 I14 C19 R20 L46 F47 D50F11-R16 HydrophobicContact CD1-CG 3.76Å; F11-R16 HydrophobicContact CD2-CG 3.88Å; F11-R16 HydrophobicContact CE1-CG 3.69Å; F11-R16 HydrophobicContact CE2-CB 4.31Å; F11-R16 HydrophobicContact CE2-CG 3.79Å; F11-R16 HydrophobicContact CG-CG 3.86Å; F11-R16 HydrophobicContact CZ-CB 4.41Å; F11-R16 HydrophobicContact CZ-CG 3.71Å; F11-R16 WeakPolarHBondContact O-CG 3.39Å; F11-R16 PolarHBondContact O-NH1 3.21Å; G12-R16 WeakPolarHBondContact O-CB 3.25Å; G12-R16 WeakPolarHBondContact O-CG 3.37Å; G12-R16 PolarHBondContact O-N 3.29Å; G12-R16 PolarHBondContact O-NH1 2.9Å; I14-R16 VanDerWaalsContact C-N 3.34Å; I14-R16 PolarHBondContact O-N 3.09Å; R16-C19 WeakPolarHBondContact O-CB 3.35Å; R16-C19 PolarHBondContact O-N 3.28Å; R16-R20 PolarHBondContact O-N 3.25Å; R16-L46 WeakPolarHBondContact CD-O 3.43Å; R16-L46 PolarHBondContact NE-O 2.83Å; R16-F47 HydrophobicContact CB-CD2 4.35Å; R16-F47 WeakPolarHBondContact O-CE2 3.46Å; R16-D50 IonicContact NH2-OD2 3.82Å
17L98.7Very high98Very high0 Ų018.2 Ų18.20%010%0.097CC..Hα-helixtrans-77.1-29.4-176.7-65.1171.4000112.9R13 I14 C19 R20 A21 H53 E325 Y326 S329R13-L17 WeakPolarHBondContact O-CB 3.42Å; R13-L17 WeakPolarHBondContact O-CD1 3.32Å; R13-L17 VanDerWaalsContact O-CG 3.26Å; R13-L17 WeakPolarHBondContact O-CG 3.14Å; R13-L17 PolarHBondContact O-N 2.93Å; I14-L17 PolarHBondContact O-N 3.02Å; I14-L17 VanDerWaalsContact O-N 3.14Å; L17-C19 VanDerWaalsContact C-N 3.3Å; L17-R20 PolarHBondContact O-N 3.32Å; L17-A21 VanDerWaalsContact O-CB 3.32Å; L17-A21 WeakPolarHBondContact O-CB 3.36Å; L17-A21 PolarHBondContact O-N 3.11Å; L17-H53 VanDerWaalsContact CD1-NE2 3.31Å; L17-H53 WeakPolarHBondContact CD1-NE2 3.39Å; L17-H53 VanDerWaalsContact CD2-CD2 3.44Å; L17-H53 WeakPolarHBondContact CD2-CD2 3.21Å; L17-E325 HydrophobicContact CD1-CB 3.41Å; L17-E325 VanDerWaalsContact CD1-CB 3.41Å; L17-E325 HydrophobicContact CD1-CG 4.42Å; L17-Y326 HydrophobicContact CD2-CD2 4.09Å; L17-Y326 HydrophobicContact CD2-CE2 4.24Å; L17-S329 VanDerWaalsContact CB-OG 3.31Å; L17-S329 WeakPolarHBondContact CB-OG 3.33Å
18V98.8Very high98Very high1 Ų118.3 Ų18.31%0.00610%0.097CC..Hα-helixtrans-61.4-43165.4169.30000110I8 I14 A21 A22 V102 V332 V333I8-V18 HydrophobicContact CD1-CB 4.43Å; I8-V18 HydrophobicContact CD1-CG1 4.06Å; I14-V18 HydrophobicContact CG2-CG2 3.88Å; I14-V18 WeakPolarHBondContact O-CB 3.48Å; I14-V18 VanDerWaalsContact O-CG2 3.29Å; I14-V18 WeakPolarHBondContact O-CG2 3.21Å; I14-V18 PolarHBondContact O-N 3.38Å; V18-A21 PolarHBondContact O-N 3.17Å; V18-A22 VanDerWaalsContact O-CB 3.24Å; V18-A22 WeakPolarHBondContact O-CB 3.49Å; V18-A22 PolarHBondContact O-N 3.41Å; V18-V102 HydrophobicContact CG1-CG2 4.19Å; V18-V332 HydrophobicContact CG1-CG1 4.14Å; V18-V332 HydrophobicContact CG2-CB 3.92Å; V18-V332 HydrophobicContact CG2-CG1 3.97Å; V18-V332 HydrophobicContact CG2-CG2 4.22Å; V18-V333 HydrophobicContact CG1-CG2 4.17Å
19C98.7Very high98Very high0 Ų019.7 Ų19.70%010%0.104CC..Hα-helixtrans-64.6-39.2174.9-172.90000112.3I8 F11 G15 R16 L17 V23 F47I8-C19 HydrophobicContact CD1-CB 3.84Å; F11-C19 HydrophobicContact CE2-CB 4.04Å; G15-C19 PolarHBondContact O-N 3.28Å; G15-C19 VanDerWaalsContact O-N 3.13Å; R16-C19 WeakPolarHBondContact O-CB 3.35Å; R16-C19 PolarHBondContact O-N 3.28Å; L17-C19 VanDerWaalsContact C-N 3.3Å; C19-V23 WeakPolarHBondContact O-CG2 3.42Å; C19-V23 PolarHBondContact O-N 2.95Å; C19-F47 HydrophobicContact CB-CE2 3.81Å
20R98Very high98Very high7 Ų719.5 Ų19.53%0.02610%0.104CC..Hα-helixtrans-61.1-54.1172.6-70.9-166-178.9-176-3.9111.1R16 L17 A22 V23 E24 F47 D50 G54 F56R16-R20 PolarHBondContact O-N 3.25Å; L17-R20 PolarHBondContact O-N 3.32Å; R20-A22 VanDerWaalsContact C-N 3.25Å; R20-A22 PolarHBondContact O-N 2.96Å; R20-V23 PolarHBondContact O-N 3Å; R20-V23 VanDerWaalsContact O-N 3.15Å; R20-E24 VanDerWaalsContact O-CG 3.31Å; R20-E24 WeakPolarHBondContact O-CG 3.36Å; R20-E24 PolarHBondContact O-N 3.4Å; R20-F47 HydrophobicContact CB-CZ 4.48Å; R20-F47 HydrophobicContact CG-CD2 4.45Å; R20-F47 HydrophobicContact CG-CE1 4.48Å; R20-F47 HydrophobicContact CG-CE2 3.56Å; R20-F47 HydrophobicContact CG-CZ 3.59Å; R20-F47 PolarHBondContact NH2-O 3.07Å; R20-D50 VanDerWaalsContact NH2-CB 3.34Å; R20-G54 PolarHBondContact NH1-O 2.93Å; R20-G54 PolarHBondContact NH2-O 3.08Å; R20-F56 HydrophobicContact CG-CD2 4.1Å; R20-F56 HydrophobicContact CG-CE2 4.44Å
21A98Very high98Very high0 Ų020.2 Ų20.20%011%0.107CC..Hα-helixtrans-56.7-38.4179.100000112.4L17 V18 E24 K25 V333L17-A21 VanDerWaalsContact O-CB 3.32Å; L17-A21 WeakPolarHBondContact O-CB 3.36Å; L17-A21 PolarHBondContact O-N 3.11Å; V18-A21 PolarHBondContact O-N 3.17Å; A21-E24 PolarHBondContact O-N 3.14Å; A21-K25 WeakPolarHBondContact O-CB 3.26Å; A21-K25 PolarHBondContact O-N 3.16Å; A21-V333 HydrophobicContact CB-CG2 3.9Å
22A98.4Very high98Very high0 Ų020.2 Ų20.20%011%0.107CC..Hα-helixtrans-62-46.4177.600000112.4V18 R20 N26 V28 V30 V333V18-A22 VanDerWaalsContact O-CB 3.24Å; V18-A22 WeakPolarHBondContact O-CB 3.49Å; V18-A22 PolarHBondContact O-N 3.41Å; R20-A22 VanDerWaalsContact C-N 3.25Å; R20-A22 PolarHBondContact O-N 2.96Å; A22-N26 WeakPolarHBondContact O-CA 3.23Å; A22-N26 PolarHBondContact O-N 3.46Å; A22-V28 HydrophobicContact CB-CG2 3.47Å; A22-V28 VanDerWaalsContact CB-CG2 3.47Å; A22-V30 HydrophobicContact CB-CG2 3.67Å; A22-V333 HydrophobicContact CB-CG2 4.25Å
23V97Very high98Very high0 Ų018.8 Ų18.80%09%0.092CC..Hα-helixtrans-70-38.2178.6-172.80000110.6C19 R20 V69 S71 N74 A76 H78C19-V23 WeakPolarHBondContact O-CG2 3.42Å; C19-V23 PolarHBondContact O-N 2.95Å; R20-V23 PolarHBondContact O-N 3Å; R20-V23 VanDerWaalsContact O-N 3.15Å; V23-V69 HydrophobicContact CG2-CG2 3.73Å; V23-S71 VanDerWaalsContact CG1-CB 3.42Å; V23-N74 PolarHBondContact O-ND2 3.46Å; V23-A76 HydrophobicContact CG1-CB 3.98Å; V23-A76 WeakPolarHBondContact CG1-O 3.04Å; V23-A76 WeakPolarHBondContact O-CB 3.35Å; V23-H78 HydrophobicContact CG2-CB 4.48Å; V23-H78 VanDerWaalsContact CG2-ND1 3.34Å; V23-H78 WeakPolarHBondContact CG2-ND1 2.96Å
24E95.4Very high98Very high45 Ų4516.1 Ų16.121%0.218%0.082CC..Hα-helixtrans-68.2-43.4179.8-69.5176.1-176.800113.1R20 A21 L73 N74 Y326R20-E24 VanDerWaalsContact O-CG 3.31Å; R20-E24 WeakPolarHBondContact O-CG 3.36Å; R20-E24 PolarHBondContact O-N 3.4Å; A21-E24 PolarHBondContact O-N 3.14Å; E24-L73 HydrophobicContact CG-CD1 4.09Å; E24-N74 PolarHBondContact O-ND2 2.89Å; E24-Y326 PolarHBondContact OE1-OH 2.5Å; E24-Y326 PolarHBondContact OE2-OH 3.37Å
25K95.4Very high98Very high59 Ų5915.3 Ų15.326%0.2578%0.078SC..Hα-helixtrans-75.5-30.5175.7-76.3-176.2158.4169.30112.9A21 T27 H330 V333 D334A21-K25 WeakPolarHBondContact O-CB 3.26Å; A21-K25 PolarHBondContact O-N 3.16Å; K25-T27 HydrophobicContact CB-CG2 4.3Å; K25-T27 PolarHBondContact O-N 3.04Å; K25-T27 VanDerWaalsContact O-N 3.13Å; K25-H330 WeakPolarHBondContact CE-CD2 3.45Å; K25-H330 PolarHBondContact NZ-O 2.97Å; K25-V333 HydrophobicContact CB-CG1 4.47Å; K25-V333 HydrophobicContact CD-CB 4.47Å; K25-V333 HydrophobicContact CD-CG1 3.96Å; K25-D334 IonicContact NZ-OD1 3.1Å; K25-D334 PolarHBondContact NZ-OD1 3.35Å; K25-D334 IonicContact NZ-OD2 3.48Å; K25-D334 PolarHBondContact NZ-OD2 2.69Å
26N96.9Very high98Very high56 Ų5617.2 Ų17.230%0.2999%0.091SC..  trans56.826.1-178.6-163.729.7000113.5K3 A22 A76K3-N26 WeakPolarHBondContact CE-O 3.28Å; K3-N26 VanDerWaalsContact NZ-CG 3.32Å; K3-N26 PolarHBondContact NZ-O 3.49Å; K3-N26 PolarHBondContact NZ-OD1 2.69Å; A22-N26 WeakPolarHBondContact O-CA 3.23Å; A22-N26 PolarHBondContact O-N 3.46Å; N26-A76 HydrophobicContact CB-CB 3.96Å; N26-A76 VanDerWaalsContact CG-CB 3.5Å; N26-A76 VanDerWaalsContact OD1-CB 3.31Å; N26-A76 WeakPolarHBondContact OD1-CB 3.4Å
27T97.1Very high97.9Very high60 Ų6023.5 Ų23.537%0.36812%0.119SC..SBendtrans-95-17.7177.857.80000113P4 K25 S337P4-T27 WeakPolarHBondContact CD-O 3.48Å; K25-T27 HydrophobicContact CB-CG2 4.3Å; K25-T27 PolarHBondContact O-N 3.04Å; K25-T27 VanDerWaalsContact O-N 3.13Å; T27-S337 PolarHBondContact OG1-OG 2.89Å; T27-S337 VanDerWaalsContact OG1-OG 3.07Å
28V98.4Very high97.9Very high1 Ų124.4 Ų24.41%0.00612%0.124CC..SBendtrans-134.1151.8179.4-45.90000109.2P4 V6 A22 H78 V333 I336 S337P4-V28 HydrophobicContact CG-CB 3.86Å; P4-V28 HydrophobicContact CG-CG1 3.55Å; V6-V28 HydrophobicContact CG2-CB 3.86Å; V6-V28 HydrophobicContact CG2-CG2 3.96Å; A22-V28 HydrophobicContact CB-CG2 3.47Å; A22-V28 VanDerWaalsContact CB-CG2 3.47Å; V28-H78 PolarHBondContact O-CE1 3.03Å; V28-H78 VanDerWaalsContact O-CE1 3.31Å; V28-H78 PolarHBondContact O-NE2 2.73Å; V28-V333 HydrophobicContact CG1-CG1 4Å; V28-V333 HydrophobicContact CG2-CG1 3.99Å; V28-I336 HydrophobicContact CG1-CB 4.45Å; V28-I336 HydrophobicContact CG1-CG2 3.99Å; V28-S337 WeakPolarHBondContact CG1-OG 3.44Å
29D98.3Very high97.8Very high29 Ų2929 Ų2916%0.15515%0.148CC..EExtended strand (participates in β ladder)trans-109.5115.3175.8-63.1-33.8000109.8K3 P4 K5 V6 V31 H78K3-D29 VanDerWaalsContact CD-OD1 3.29Å; K3-D29 WeakPolarHBondContact CD-OD1 3.38Å; K3-D29 IonicContact NZ-OD1 2.65Å; P4-D29 PolarHBondContact O-N 2.84Å; K5-D29 WeakPolarHBondContact CA-O 3.46Å; K5-D29 HydrophobicContact CD-CB 3.89Å; K5-D29 IonicContact NZ-OD2 3.25Å; K5-D29 PolarHBondContact NZ-OD2 2.82Å; V6-D29 PolarHBondContact N-O 3.29Å; D29-V31 HydrophobicContact CB-CG1 4.34Å; D29-V31 PolarHBondContact O-N 3.23Å; D29-H78 IonicContact OD1-NE2 3.76Å
30V98.8Very high97.7Very high1 Ų130.6 Ų30.61%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-75.2122.9170.1-177.10000108.1V6 I8 A22 I33 H78 I80V6-V30 HydrophobicContact CB-CG2 4.41Å; I8-V30 HydrophobicContact CD1-CG1 4Å; I8-V30 HydrophobicContact CD1-CG2 4.17Å; I8-V30 HydrophobicContact CG1-CG1 4.33Å; A22-V30 HydrophobicContact CB-CG2 3.67Å; V30-I33 HydrophobicContact CG1-CG1 4.34Å; V30-H78 PolarHBondContact N-CE1 3.44Å; V30-H78 PolarHBondContact N-ND1 3.46Å; V30-I80 HydrophobicContact CB-CD1 4.33Å; V30-I80 HydrophobicContact CB-CG1 4.43Å; V30-I80 HydrophobicContact CG1-CD1 4.02Å; V30-I80 HydrophobicContact CG1-CG1 4.14Å; V30-I80 HydrophobicContact CG1-CG2 4.32Å; V30-I80 WeakPolarHBondContact O-CG1 3.24Å
31V98.6Very high97.7Very high20 Ų2038 Ų3812%0.12119%0.189CC..EExtended strand (participates in β ladder)trans-122.6-15.3-176.9-62.50000113.2K5 V6 D29 Q81 A96 A98K5-V31 HydrophobicContact CB-CG1 4.49Å; K5-V31 HydrophobicContact CB-CG2 4.05Å; K5-V31 HydrophobicContact CD-CG1 3.86Å; V6-V31 PolarHBondContact O-N 3.36Å; D29-V31 HydrophobicContact CB-CG1 4.34Å; D29-V31 PolarHBondContact O-N 3.23Å; V31-Q81 PolarHBondContact O-N 3.38Å; V31-A96 WeakPolarHBondContact CB-O 3.33Å; V31-A96 HydrophobicContact CG2-CB 4.49Å; V31-A96 VanDerWaalsContact CG2-O 3.25Å; V31-A96 WeakPolarHBondContact CG2-O 3.33Å; V31-A98 HydrophobicContact CG2-CB 3.8Å
32A98.7Very high97.7Very high0 Ų043.6 Ų43.60%021%0.211CC..EExtended strand (participates in β ladder)trans-142.8141.8177.700000112.7V6 G7 I8 Q81 F83 W93 A96 A98V6-A32 PolarHBondContact O-N 2.9Å; G7-A32 CarbonylContact C-O 3.51Å; G7-A32 VanDerWaalsContact CA-O 3.31Å; G7-A32 WeakPolarHBondContact CA-O 3.44Å; I8-A32 PolarHBondContact N-O 2.92Å; A32-Q81 CarbonylContact C-O 3.37Å; A32-Q81 VanDerWaalsContact CA-O 3.27Å; A32-Q81 WeakPolarHBondContact CA-O 3.13Å; A32-F83 HydrophobicContact CB-CD2 4.37Å; A32-F83 HydrophobicContact CB-CE2 3.94Å; A32-W93 HydrophobicContact CB-CE3 3.69Å; A32-W93 HydrophobicContact CB-CZ3 3.65Å; A32-A96 HydrophobicContact CB-CB 3.81Å; A32-A98 HydrophobicContact CB-CB 4.06Å
33I98.8Very high97.7Very high0 Ų043.6 Ų43.60%021%0.211CC..EExtended strand (participates in β ladder)trans-129.6138.2168.8-71.3164.2000108.6I8 F11 V30 M43 L67 I80 Q81 V82 F83I8-I33 HydrophobicContact CB-CG1 4.27Å; I8-I33 CarbonylContact O-C 3.5Å; I8-I33 WeakPolarHBondContact O-CA 3.36Å; F11-I33 HydrophobicContact CB-CG2 3.85Å; F11-I33 HydrophobicContact CD1-CG2 4.41Å; F11-I33 HydrophobicContact CD2-CD1 3.83Å; F11-I33 HydrophobicContact CD2-CG1 4.19Å; F11-I33 HydrophobicContact CD2-CG2 3.86Å; F11-I33 HydrophobicContact CE1-CD1 4.29Å; F11-I33 HydrophobicContact CE2-CD1 3.37Å; F11-I33 HydrophobicContact CE2-CG1 4.15Å; F11-I33 HydrophobicContact CG-CD1 4.47Å; F11-I33 HydrophobicContact CG-CG2 3.81Å; F11-I33 HydrophobicContact CZ-CD1 3.62Å; V30-I33 HydrophobicContact CG1-CG1 4.34Å; I33-M43 HydrophobicContact CG2-CE 3.92Å; I33-M43 HydrophobicContact CG2-SD 3.95Å; I33-L67 HydrophobicContact CD1-CD2 4.15Å; I33-I80 HydrophobicContact CB-CG2 4.1Å; I33-I80 HydrophobicContact CD1-CD1 4.09Å; I33-I80 HydrophobicContact CD1-CG2 3.7Å; I33-I80 HydrophobicContact CG1-CG2 3.69Å; I33-Q81 PolarHBondContact N-O 3.04Å; I33-V82 CarbonylContact O-C 3.57Å; I33-V82 WeakPolarHBondContact O-CA 3.43Å; I33-F83 PolarHBondContact O-N 2.88Å
34N98.8Very high97.8Very high1 Ų144.2 Ų44.21%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-121.3126168.8-176.872.9000110.7I8 N9 G10 F83 T84 E85 I91 W93I8-N34 PolarHBondContact O-N 2.82Å; N9-N34 PolarHBondContact OD1-ND2 3.32Å; G10-N34 PolarHBondContact N-O 3.26Å; N34-F83 WeakPolarHBondContact CA-O 3.25Å; N34-F83 HydrophobicContact CB-CB 4.13Å; N34-F83 VanDerWaalsContact OD1-C 3.25Å; N34-F83 WeakPolarHBondContact OD1-CB 3.24Å; N34-F83 PolarHBondContact OD1-O 2.68Å; N34-T84 PolarHBondContact OD1-N 3.49Å; N34-E85 PolarHBondContact ND2-O 3.33Å; N34-E85 PolarHBondContact OD1-N 2.93Å; N34-I91 HydrophobicContact CB-CD1 3.76Å; N34-I91 HydrophobicContact CB-CG1 4.24Å; N34-I91 HydrophobicContact CB-CG2 4.2Å; N34-I91 VanDerWaalsContact CG-CD1 3.49Å; N34-I91 WeakPolarHBondContact ND2-CD1 3.45Å; N34-W93 HydrophobicContact CB-CH2 3.98Å
35D98.4Very high98Very high17 Ų1748.4 Ų48.49%0.09123%0.231CC..  trans-152.4113163.9-161.7-50.1000109.6F11 F37 L38 M43 F83F11-D35 HydrophobicContact CB-CB 4.05Å; F11-D35 PolarHBondContact N-OD2 2.87Å; D35-F37 PolarHBondContact O-N 2.99Å; D35-F37 WeakPolarHBondContact OD1-CB 3.31Å; D35-F37 WeakPolarHBondContact OD1-CD2 3.34Å; D35-F37 PolarHBondContact OD1-N 3.07Å; D35-L38 HydrophobicContact CB-CB 4.26Å; D35-L38 HydrophobicContact CB-CD1 4.11Å; D35-L38 HydrophobicContact CB-CG 4.28Å; D35-L38 PolarHBondContact O-N 3.09Å; D35-M43 HydrophobicContact CB-CE 3.63Å; D35-F83 PolarHBondContact N-O 2.58Å; D35-F83 VanDerWaalsContact N-O 3.16Å
36P97.9Very high98.1Very high40 Ų4047.1 Ų47.126%0.2623%0.227SC..THydrogen-bonded Turntrans-69.8-10.5-176.329.8-35.9000113.8M86P36-M86 HydrophobicContact CB-CG 3.93Å; P36-M86 HydrophobicContact CB-SD 3.39Å; P36-M86 WeakPolarHBondContact CB-SD 3.47Å; P36-M86 HydrophobicContact CG-CG 4.33Å; P36-M86 HydrophobicContact CG-SD 3.36Å; P36-M86 WeakPolarHBondContact CG-SD 3.34Å
37F97.8Very high98.2Very high156 Ų15644.4 Ų44.468%0.68421%0.212SC*.THydrogen-bonded Turntrans-101.2-1.3-177.2-52.4-68.1000113.5D35 M86D35-F37 PolarHBondContact O-N 2.99Å; D35-F37 WeakPolarHBondContact OD1-CB 3.31Å; D35-F37 WeakPolarHBondContact OD1-CD2 3.34Å; D35-F37 PolarHBondContact OD1-N 3.07Å; F37-M86 HydrophobicContact CE1-SD 4.2Å; F37-M86 HydrophobicContact CZ-CE 4.09Å; F37-M86 HydrophobicContact CZ-SD 3.98Å
38L97.1Very high98.3Very high19 Ų1943.4 Ų43.410%0.09920%0.203CC..  trans-128127.1-175.9-57.5175.6000110.3F11 D35 Y42 M43 L46F11-L38 HydrophobicContact CB-CD1 4.1Å; F11-L38 HydrophobicContact CD1-CD1 4.43Å; D35-L38 HydrophobicContact CB-CB 4.26Å; D35-L38 HydrophobicContact CB-CD1 4.11Å; D35-L38 HydrophobicContact CB-CG 4.28Å; D35-L38 PolarHBondContact O-N 3.09Å; L38-Y42 HydrophobicContact CD2-CD1 3.45Å; L38-Y42 VanDerWaalsContact CD2-CD1 3.45Å; L38-Y42 HydrophobicContact CD2-CE1 3.67Å; L38-Y42 HydrophobicContact CD2-CG 4.12Å; L38-M43 HydrophobicContact CB-CE 3.92Å; L38-M43 HydrophobicContact CB-CG 3.68Å; L38-M43 HydrophobicContact CD1-CG 4.21Å; L38-L46 HydrophobicContact CD1-CD1 4.08Å; L38-L46 HydrophobicContact CD2-CD1 3.71Å
39D96.9Very high98.3Very high98 Ų9848.7 Ų48.752%0.52422%0.224SC..  trans-79.7166.5165.173.642.4000111.3K41 Y42 M43D39-K41 VanDerWaalsContact C-N 3.29Å; D39-K41 PolarHBondContact O-N 3.03Å; D39-K41 WeakPolarHBondContact OD1-CA 3.38Å; D39-K41 WeakPolarHBondContact OD1-CB 3.14Å; D39-K41 PolarHBondContact OD1-N 3.02Å; D39-Y42 PolarHBondContact O-N 2.84Å; D39-Y42 VanDerWaalsContact O-N 3.13Å; D39-Y42 PolarHBondContact OD1-N 3.27Å; D39-M43 WeakPolarHBondContact O-CG 3.48Å; D39-M43 PolarHBondContact O-N 2.63Å
40L98Very high98.3Very high34 Ų3447.9 Ų47.918%0.17822%0.22CC..Hα-helixtrans-56.9-38.6-177.8173.761.5000113.4A44 T62 L67 V82L40-A44 PolarHBondContact O-N 3.3Å; L40-A44 VanDerWaalsContact O-N 3.07Å; L40-T62 HydrophobicContact CD1-CG2 3.92Å; L40-T62 HydrophobicContact CD2-CG2 4.22Å; L40-T62 HydrophobicContact CG-CG2 3.68Å; L40-L67 HydrophobicContact CD1-CB 3.81Å; L40-V82 HydrophobicContact CD1-CG2 3.74Å
41K97.9Very high98.3Very high163 Ų16354.1 Ų54.171%0.70926%0.264SS*.Hα-helixtrans-70.2-39179.8-69.2-176.4179.7178.50110.3D39 A44 Y45D39-K41 VanDerWaalsContact C-N 3.29Å; D39-K41 PolarHBondContact O-N 3.03Å; D39-K41 WeakPolarHBondContact OD1-CA 3.38Å; D39-K41 WeakPolarHBondContact OD1-CB 3.14Å; D39-K41 PolarHBondContact OD1-N 3.02Å; K41-A44 PolarHBondContact O-N 3.01Å; K41-Y45 PolarHBondContact O-N 2.78Å
42Y98.1Very high98.3Very high116 Ų11654.7 Ų54.746%0.45527%0.267SS..Hα-helixtrans-71-39178.7-163.8-165.7000111.7L38 D39 A44 Y45 L46L38-Y42 HydrophobicContact CD2-CD1 3.45Å; L38-Y42 VanDerWaalsContact CD2-CD1 3.45Å; L38-Y42 HydrophobicContact CD2-CE1 3.67Å; L38-Y42 HydrophobicContact CD2-CG 4.12Å; D39-Y42 PolarHBondContact O-N 2.84Å; D39-Y42 VanDerWaalsContact O-N 3.13Å; D39-Y42 PolarHBondContact OD1-N 3.27Å; Y42-A44 VanDerWaalsContact C-N 3.33Å; Y42-A44 PolarHBondContact O-N 2.81Å; Y42-Y45 AromaticContact CD2-CD1 3.91Å; Y42-Y45 HydrophobicContact CD2-CD1 3.91Å; Y42-Y45 AromaticContact CE2-CD1 3.83Å; Y42-Y45 HydrophobicContact CE2-CD1 3.83Å; Y42-Y45 HydrophobicContact CE2-CE1 4.29Å; Y42-Y45 PolarHBondContact O-N 3.13Å; Y42-L46 HydrophobicContact CD2-CD1 4.06Å; Y42-L46 HydrophobicContact CD2-CD2 4.39Å; Y42-L46 HydrophobicContact CD2-CG 3.8Å; Y42-L46 HydrophobicContact CE1-CD1 4.43Å; Y42-L46 HydrophobicContact CE2-CD1 3.85Å; Y42-L46 HydrophobicContact CE2-CD2 3.73Å; Y42-L46 HydrophobicContact CE2-CG 3.61Å; Y42-L46 HydrophobicContact CG-CD1 4.45Å; Y42-L46 WeakPolarHBondContact O-CG 3.26Å; Y42-L46 PolarHBondContact O-N 2.83Å
43M98.6Very high98.3Very high0 Ų055.6 Ų55.60%027%0.271CS..Hα-helixtrans-56.3-46.4170-70.7-175.1178.300111.6F11 I33 D35 L38 D39 Y45 L46 F47 V82F11-M43 HydrophobicContact CD1-CB 4.05Å; F11-M43 HydrophobicContact CD1-CG 3.91Å; F11-M43 HydrophobicContact CD1-SD 4.39Å; F11-M43 HydrophobicContact CE1-CB 4.03Å; F11-M43 HydrophobicContact CE1-CG 4.38Å; I33-M43 HydrophobicContact CG2-CE 3.92Å; I33-M43 HydrophobicContact CG2-SD 3.95Å; D35-M43 HydrophobicContact CB-CE 3.63Å; L38-M43 HydrophobicContact CB-CE 3.92Å; L38-M43 HydrophobicContact CB-CG 3.68Å; L38-M43 HydrophobicContact CD1-CG 4.21Å; D39-M43 WeakPolarHBondContact O-CG 3.48Å; D39-M43 PolarHBondContact O-N 2.63Å; M43-Y45 PolarHBondContact O-N 2.92Å; M43-L46 PolarHBondContact O-N 3.36Å; M43-F47 WeakPolarHBondContact O-CB 3.24Å; M43-F47 PolarHBondContact O-N 2.86Å; M43-V82 HydrophobicContact CE-CG1 3.68Å; M43-V82 HydrophobicContact SD-CB 4.39Å; M43-V82 HydrophobicContact SD-CG1 3.54Å; M43-V82 VanDerWaalsContact SD-CG1 3.54Å; M43-V82 HydrophobicContact SD-CG2 3.9Å
44A98.6Very high98.2Very high14 Ų1457.2 Ų57.212%0.11629%0.287CS..Hα-helixtrans-61.8-43.4177.500000112.2L40 K41 Y42 F47 Q48 V60 T62 L67L40-A44 PolarHBondContact O-N 3.3Å; L40-A44 VanDerWaalsContact O-N 3.07Å; K41-A44 PolarHBondContact O-N 3.01Å; Y42-A44 VanDerWaalsContact C-N 3.33Å; Y42-A44 PolarHBondContact O-N 2.81Å; A44-F47 PolarHBondContact O-N 3.27Å; A44-Q48 VanDerWaalsContact O-CB 3.27Å; A44-Q48 WeakPolarHBondContact O-CB 3.45Å; A44-Q48 PolarHBondContact O-N 2.86Å; A44-V60 HydrophobicContact CB-CG1 3.98Å; A44-T62 HydrophobicContact CB-CG2 3.63Å; A44-L67 HydrophobicContact CB-CD1 3.82Å
45Y98.7Very high98.2Very high133 Ų13365 Ų6552%0.52232%0.317SS..Hα-helixtrans-59.9-52.1175.6170.8-94.1000112.2K41 Y42 M43 F47 Q48 Y49K41-Y45 PolarHBondContact O-N 2.78Å; Y42-Y45 AromaticContact CD2-CD1 3.91Å; Y42-Y45 HydrophobicContact CD2-CD1 3.91Å; Y42-Y45 AromaticContact CE2-CD1 3.83Å; Y42-Y45 HydrophobicContact CE2-CD1 3.83Å; Y42-Y45 HydrophobicContact CE2-CE1 4.29Å; Y42-Y45 PolarHBondContact O-N 3.13Å; M43-Y45 PolarHBondContact O-N 2.92Å; Y45-F47 PolarHBondContact O-N 2.97Å; Y45-Q48 PolarHBondContact O-N 3.27Å; Y45-Y49 AromaticContact CD2-CD2 3.67Å; Y45-Y49 HydrophobicContact CD2-CD2 3.67Å; Y45-Y49 HydrophobicContact CD2-CE2 4.06Å; Y45-Y49 AromaticContact CE2-CD2 3.73Å; Y45-Y49 HydrophobicContact CE2-CD2 3.73Å; Y45-Y49 HydrophobicContact CE2-CE2 4.24Å; Y45-Y49 HydrophobicContact CG-CD2 4.43Å; Y45-Y49 PolarHBondContact O-N 3.45Å
46L98.5Very high98.2Very high31 Ų3164.7 Ų64.716%0.16232%0.315CS..Hα-helixtrans-66.3-26.3-178.7-69.5177.9000112.9R16 L38 Y42 M43R16-L46 WeakPolarHBondContact CD-O 3.43Å; R16-L46 PolarHBondContact NE-O 2.83Å; L38-L46 HydrophobicContact CD1-CD1 4.08Å; L38-L46 HydrophobicContact CD2-CD1 3.71Å; Y42-L46 HydrophobicContact CD2-CD1 4.06Å; Y42-L46 HydrophobicContact CD2-CD2 4.39Å; Y42-L46 HydrophobicContact CD2-CG 3.8Å; Y42-L46 HydrophobicContact CE1-CD1 4.43Å; Y42-L46 HydrophobicContact CE2-CD1 3.85Å; Y42-L46 HydrophobicContact CE2-CD2 3.73Å; Y42-L46 HydrophobicContact CE2-CG 3.61Å; Y42-L46 HydrophobicContact CG-CD1 4.45Å; Y42-L46 WeakPolarHBondContact O-CG 3.26Å; Y42-L46 PolarHBondContact O-N 2.83Å; M43-L46 PolarHBondContact O-N 3.36Å
47F98.5Very high98.1Very high0 Ų069.2 Ų69.20%033%0.33CS..Hα-helixtrans-78.4-41.1174-169-95000111.8F11 R16 C19 R20 M43 A44 Y45 F56 V60 V69F11-F47 HydrophobicContact CE1-CB 4.31Å; F11-F47 HydrophobicContact CE1-CD2 4.41Å; F11-F47 HydrophobicContact CZ-CB 4.36Å; F11-F47 AromaticContact CZ-CD2 3.68Å; F11-F47 HydrophobicContact CZ-CD2 3.68Å; F11-F47 HydrophobicContact CZ-CE2 4.45Å; F11-F47 HydrophobicContact CZ-CG 4.36Å; R16-F47 HydrophobicContact CB-CD2 4.35Å; R16-F47 WeakPolarHBondContact O-CE2 3.46Å; C19-F47 HydrophobicContact CB-CE2 3.81Å; R20-F47 HydrophobicContact CB-CZ 4.48Å; R20-F47 HydrophobicContact CG-CD2 4.45Å; R20-F47 HydrophobicContact CG-CE1 4.48Å; R20-F47 HydrophobicContact CG-CE2 3.56Å; R20-F47 HydrophobicContact CG-CZ 3.59Å; R20-F47 PolarHBondContact NH2-O 3.07Å; M43-F47 WeakPolarHBondContact O-CB 3.24Å; M43-F47 PolarHBondContact O-N 2.86Å; A44-F47 PolarHBondContact O-N 3.27Å; Y45-F47 PolarHBondContact O-N 2.97Å; F47-F56 HydrophobicContact CD1-CD1 4.43Å; F47-F56 HydrophobicContact CD1-CG 4.24Å; F47-F56 HydrophobicContact CE1-CB 4.39Å; F47-F56 AromaticContact CE1-CD1 3.88Å; F47-F56 HydrophobicContact CE1-CD1 3.88Å; F47-F56 AromaticContact CE1-CD2 3.66Å; F47-F56 HydrophobicContact CE1-CD2 3.66Å; F47-F56 AromaticContact CE1-CE1 4Å; F47-F56 HydrophobicContact CE1-CE1 4Å; F47-F56 AromaticContact CE1-CE2 3.81Å; F47-F56 HydrophobicContact CE1-CE2 3.81Å; F47-F56 AromaticContact CE1-CG 3.69Å; F47-F56 HydrophobicContact CE1-CG 3.69Å; F47-F56 AromaticContact CE1-CZ 3.97Å; F47-F56 HydrophobicContact CE1-CZ 3.97Å; F47-F56 HydrophobicContact CZ-CD2 4.01Å; F47-F56 AromaticContact CZ-CE2 3.98Å; F47-F56 HydrophobicContact CZ-CE2 3.98Å; F47-F56 HydrophobicContact CZ-CG 4.49Å; F47-F56 HydrophobicContact CZ-CZ 4.41Å; F47-V60 HydrophobicContact CD1-CG1 4.22Å; F47-V60 HydrophobicContact CD1-CG2 3.66Å; F47-V60 HydrophobicContact CE1-CG2 4.17Å; F47-V69 HydrophobicContact CD1-CG1 3.69Å; F47-V69 HydrophobicContact CE1-CB 4.04Å; F47-V69 HydrophobicContact CE1-CG1 3.41Å; F47-V69 VanDerWaalsContact CE1-CG1 3.41Å; F47-V69 HydrophobicContact CZ-CG1 4.07Å
48Q98.4Very high98Very high38 Ų3863 Ų6318%0.17831%0.31CS..Hα-helixtrans-67.2-39.3-179.6-18061.274.800112.8A44 Y45 R55 F56 V60A44-Q48 VanDerWaalsContact O-CB 3.27Å; A44-Q48 WeakPolarHBondContact O-CB 3.45Å; A44-Q48 PolarHBondContact O-N 2.86Å; Y45-Q48 PolarHBondContact O-N 3.27Å; Q48-R55 WeakPolarHBondContact O-CA 3.38Å; Q48-F56 PolarHBondContact O-N 3.45Å; Q48-V60 HydrophobicContact CB-CB 4.34Å; Q48-V60 HydrophobicContact CB-CG2 4.11Å
49Y98.7Very high98Very high112 Ų11266.7 Ų66.744%0.43933%0.327SS..EExtended strand (participates in β ladder)trans-119.3114.8-175.6-56.9-74.8000110.7Y45 R55Y45-Y49 AromaticContact CD2-CD2 3.67Å; Y45-Y49 HydrophobicContact CD2-CD2 3.67Å; Y45-Y49 HydrophobicContact CD2-CE2 4.06Å; Y45-Y49 AromaticContact CE2-CD2 3.73Å; Y45-Y49 HydrophobicContact CE2-CD2 3.73Å; Y45-Y49 HydrophobicContact CE2-CE2 4.24Å; Y45-Y49 HydrophobicContact CG-CD2 4.43Å; Y45-Y49 PolarHBondContact O-N 3.45Å; Y49-R55 HydrophobicContact CD1-CG 4.08Å; Y49-R55 HydrophobicContact CE1-CG 4.41Å
50D98.7Very high98.1Very high13 Ų1363.1 Ų63.17%0.0731%0.308CS..EExtended strand (participates in β ladder)trans-123130.5175.4-164.2-80.5000110.1R13 R16 R20 T52 H53 G54R13-D50 IonicContact CZ-OD1 3.38Å; R13-D50 IonicContact CZ-OD2 3.35Å; R13-D50 IonicContact NH1-OD1 3.97Å; R13-D50 PolarHBondContact NH1-OD1 3.39Å; R13-D50 IonicContact NH1-OD2 3.98Å; R13-D50 PolarHBondContact NH1-OD2 3.13Å; R13-D50 IonicContact NH2-OD1 2.79Å; R13-D50 PolarHBondContact NH2-OD1 3.4Å; R13-D50 VanDerWaalsContact NH2-OD1 3.1Å; R13-D50 IonicContact NH2-OD2 3.03Å; R13-D50 PolarHBondContact NH2-OD2 3.25Å; R16-D50 IonicContact NH2-OD2 3.82Å; R20-D50 VanDerWaalsContact NH2-CB 3.34Å; D50-T52 VanDerWaalsContact C-N 3.28Å; D50-T52 PolarHBondContact O-N 2.9Å; D50-T52 WeakPolarHBondContact OD1-CA 3.48Å; D50-T52 WeakPolarHBondContact OD1-CB 3.46Å; D50-T52 PolarHBondContact OD1-N 2.85Å; D50-H53 IonicContact OD1-CD2 2.8Å; D50-H53 PolarHBondContact OD1-CD2 3.33Å; D50-H53 PolarHBondContact OD1-N 2.86Å; D50-G54 WeakPolarHBondContact CB-O 3.36Å; D50-G54 PolarHBondContact N-O 2.83Å; D50-G54 CarbonylContact O-C 3.43Å; D50-G54 WeakPolarHBondContact O-CA 3.37Å; D50-G54 PolarHBondContact O-N 2.89Å
51S98.6Very high98.1Very high132 Ų13266.9 Ų66.992%0.92332%0.323SS*.THydrogen-bonded Turntrans-70.4-24.8-178.6-59.60000113.3
52T98.6Very high98.1Very high31 Ų3162 Ų6219%0.1931%0.307CS..THydrogen-bonded Turntrans-95.4-53.9-177.1-54.70000110.5R13 D50 D246 T295R13-T52 PolarHBondContact NH2-OG1 3.15Å; D50-T52 VanDerWaalsContact C-N 3.28Å; D50-T52 PolarHBondContact O-N 2.9Å; D50-T52 WeakPolarHBondContact OD1-CA 3.48Å; D50-T52 WeakPolarHBondContact OD1-CB 3.46Å; D50-T52 PolarHBondContact OD1-N 2.85Å; T52-D246 HydrophobicContact CG2-CB 3.3Å; T52-D246 WeakPolarHBondContact CG2-OD2 3.48Å; T52-T295 HydrophobicContact CG2-CG2 4.15Å
53H98.3Very high97.9Very high20 Ų2062 Ų629%0.09332%0.315CS..THydrogen-bonded Turntrans-98.512-173.5-51.4-75.6000113R13 L17 D50 D246 S296 D323 E325 Y326R13-H53 PolarHBondContact NH2-CD2 3.2Å; R13-H53 VanDerWaalsContact NH2-CD2 3.33Å; R13-H53 PolarHBondContact NH2-NE2 3.19Å; L17-H53 VanDerWaalsContact CD1-NE2 3.31Å; L17-H53 WeakPolarHBondContact CD1-NE2 3.39Å; L17-H53 VanDerWaalsContact CD2-CD2 3.44Å; L17-H53 WeakPolarHBondContact CD2-CD2 3.21Å; D50-H53 IonicContact OD1-CD2 2.8Å; D50-H53 PolarHBondContact OD1-CD2 3.33Å; D50-H53 PolarHBondContact OD1-N 2.86Å; H53-D246 IonicContact CE1-OD2 2.77Å; H53-D246 PolarHBondContact CE1-OD2 2.98Å; H53-D246 IonicContact NE2-OD2 3.23Å; H53-S296 PolarHBondContact ND1-OG 2.84Å; H53-D323 IonicContact CE1-OD1 3.98Å; H53-D323 IonicContact CE1-OD2 3.95Å; H53-D323 PolarHBondContact CE1-OD2 2.9Å; H53-D323 IonicContact ND1-OD2 2.79Å; H53-E325 IonicContact NE2-OE2 2.67Å; H53-E325 PolarHBondContact NE2-OE2 3.06Å; H53-Y326 AromaticContact CE1-CD2 3.82Å; H53-Y326 AromaticContact ND1-CD2 3.58Å
54G97.8Very high97.6Very high33 Ų3365.2 Ų65.234%0.3435%0.349SS..EExtended strand (participates in β ladder)trans65-166.2-179.100000114.7R20 D50R20-G54 PolarHBondContact NH1-O 2.93Å; R20-G54 PolarHBondContact NH2-O 3.08Å; D50-G54 WeakPolarHBondContact CB-O 3.36Å; D50-G54 PolarHBondContact N-O 2.83Å; D50-G54 CarbonylContact O-C 3.43Å; D50-G54 WeakPolarHBondContact O-CA 3.37Å; D50-G54 PolarHBondContact O-N 2.89Å
55R98Very high97.4Very high166 Ų16666.7 Ų66.763%0.62637%0.365SS*.EExtended strand (participates in β ladder)trans-68.9136.7-179.9-59.8-176-173.6-166.21.6110.7Q48 Y49 K57Q48-R55 WeakPolarHBondContact O-CA 3.38Å; Y49-R55 HydrophobicContact CD1-CG 4.08Å; Y49-R55 HydrophobicContact CE1-CG 4.41Å; R55-K57 PolarHBondContact O-N 3.34Å
56F98.2Very high97.4Very high9 Ų964.1 Ų64.14%0.03936%0.357CS..  trans-55.5130.4171.6178.1-111.1000110.6R20 F47 Q48 G58 V60R20-F56 HydrophobicContact CG-CD2 4.1Å; R20-F56 HydrophobicContact CG-CE2 4.44Å; F47-F56 HydrophobicContact CD1-CD1 4.43Å; F47-F56 HydrophobicContact CD1-CG 4.24Å; F47-F56 HydrophobicContact CE1-CB 4.39Å; F47-F56 AromaticContact CE1-CD1 3.88Å; F47-F56 HydrophobicContact CE1-CD1 3.88Å; F47-F56 AromaticContact CE1-CD2 3.66Å; F47-F56 HydrophobicContact CE1-CD2 3.66Å; F47-F56 AromaticContact CE1-CE1 4Å; F47-F56 HydrophobicContact CE1-CE1 4Å; F47-F56 AromaticContact CE1-CE2 3.81Å; F47-F56 HydrophobicContact CE1-CE2 3.81Å; F47-F56 AromaticContact CE1-CG 3.69Å; F47-F56 HydrophobicContact CE1-CG 3.69Å; F47-F56 AromaticContact CE1-CZ 3.97Å; F47-F56 HydrophobicContact CE1-CZ 3.97Å; F47-F56 HydrophobicContact CZ-CD2 4.01Å; F47-F56 AromaticContact CZ-CE2 3.98Å; F47-F56 HydrophobicContact CZ-CE2 3.98Å; F47-F56 HydrophobicContact CZ-CG 4.49Å; F47-F56 HydrophobicContact CZ-CZ 4.41Å; Q48-F56 PolarHBondContact O-N 3.45Å; F56-G58 PolarHBondContact O-N 3.05Å; F56-G58 VanDerWaalsContact O-N 3.15Å; F56-V60 HydrophobicContact CB-CG2 4.43Å; F56-V60 HydrophobicContact CD1-CG2 3.57Å; F56-V60 HydrophobicContact CE1-CG2 4.22Å; F56-V60 HydrophobicContact CG-CG2 4.3Å
57K95.8Very high97.4Very high135 Ų13562.7 Ų62.759%0.58735%0.349SS*.SBendtrans-85.881.9-179.8-56.7-57.6-178.2177.30109.5R55 S72R55-K57 PolarHBondContact O-N 3.34Å; K57-S72 VanDerWaalsContact C-OG 3.25Å; K57-S72 PolarHBondContact O-N 3Å; K57-S72 PolarHBondContact O-OG 2.81Å
58G96.2Very high97.4Very high25 Ų2564.7 Ų64.726%0.25836%0.358SS..EExtended strand (participates in β ladder)trans163.8-163.6-173.500000112.7F56 I70F56-G58 PolarHBondContact O-N 3.05Å; F56-G58 VanDerWaalsContact O-N 3.15Å; G58-I70 CarbonylContact C-O 3.55Å; G58-I70 WeakPolarHBondContact CA-O 3.36Å
59Q97.5Very high97.4Very high97 Ų9762.9 Ų62.945%0.45335%0.35SS..EExtended strand (participates in β ladder)trans-108.4135.6174.8-61.6-173300110.2V69 I70Q59-V69 WeakPolarHBondContact O-CA 3.48Å; Q59-I70 HydrophobicContact CB-CB 4.38Å; Q59-I70 PolarHBondContact N-O 2.84Å; Q59-I70 PolarHBondContact O-N 2.9Å
60V98.3Very high97.3Very high23 Ų2360 Ų6014%0.13934%0.342CS..EExtended strand (participates in β ladder)trans-120.1120.8171.4-1710000107.3A44 F47 Q48 F56 L67 H68 V69A44-V60 HydrophobicContact CB-CG1 3.98Å; F47-V60 HydrophobicContact CD1-CG1 4.22Å; F47-V60 HydrophobicContact CD1-CG2 3.66Å; F47-V60 HydrophobicContact CE1-CG2 4.17Å; Q48-V60 HydrophobicContact CB-CB 4.34Å; Q48-V60 HydrophobicContact CB-CG2 4.11Å; F56-V60 HydrophobicContact CB-CG2 4.43Å; F56-V60 HydrophobicContact CD1-CG2 3.57Å; F56-V60 HydrophobicContact CE1-CG2 4.22Å; F56-V60 HydrophobicContact CG-CG2 4.3Å; V60-L67 HydrophobicContact CG1-CD1 3.76Å; V60-H68 CarbonylContact C-O 3.42Å; V60-H68 WeakPolarHBondContact CA-O 3.27Å; V60-V69 HydrophobicContact CG1-CG1 4.2Å; V60-V69 HydrophobicContact CG2-CG1 4.43Å
61K97.5Very high97.2Very high113 Ų11359.4 Ų59.449%0.49134%0.339SS..EExtended strand (participates in β ladder)trans-135.6154.2-178.3-62.5-178.9-173.1168.90110.7H68K61-H68 HydrophobicContact CB-CB 4.35Å; K61-H68 PolarHBondContact N-O 2.89Å; K61-H68 PolarHBondContact O-N 2.89Å
62T97.8Very high97.1Very high60 Ų6056.9 Ų56.937%0.36832%0.321SS..EExtended strand (participates in β ladder)trans-116.2124.8172.261.20000108.5L40 A44 K66 L67L40-T62 HydrophobicContact CD1-CG2 3.92Å; L40-T62 HydrophobicContact CD2-CG2 4.22Å; L40-T62 HydrophobicContact CG-CG2 3.68Å; A44-T62 HydrophobicContact CB-CG2 3.63Å; T62-K66 WeakPolarHBondContact CA-O 3.3Å; T62-L67 HydrophobicContact CG2-CD1 4.49Å
63D95.4Very high96.9Very high116 Ų11661 Ų6162%0.6234%0.341SS*.EExtended strand (participates in β ladder)trans-148.7142.9176.5-176.631.7000110.2G65 K66D63-G65 PolarHBondContact O-N 2.81Å; D63-K66 PolarHBondContact N-O 3.39Å; D63-K66 VanDerWaalsContact N-O 3.08Å; D63-K66 WeakPolarHBondContact O-CA 3.28Å; D63-K66 WeakPolarHBondContact O-CB 3.45Å; D63-K66 PolarHBondContact O-N 2.93Å
64G92.6Very high96.8Very high69 Ų6962.7 Ų62.771%0.71135%0.351SS*.THydrogen-bonded Turntrans53.230.4177.600000116K66G64-K66 VanDerWaalsContact C-N 3.29Å; G64-K66 PolarHBondContact O-N 2.78Å
65G94.1Very high96.7Very high44 Ų4467.4 Ų67.445%0.45437%0.368SS..THydrogen-bonded Turntrans75.313.6-175.500000114.7D63D63-G65 PolarHBondContact O-N 2.81Å
66K97.9Very high96.6Very high80 Ų8059.8 Ų59.835%0.34834%0.34SS..EExtended strand (participates in β ladder)trans-118.6154.8-179.8-62.1-174.7-177.8178.80111.6T62 D63 G64 T79 I80T62-K66 WeakPolarHBondContact CA-O 3.3Å; D63-K66 PolarHBondContact N-O 3.39Å; D63-K66 VanDerWaalsContact N-O 3.08Å; D63-K66 WeakPolarHBondContact O-CA 3.28Å; D63-K66 WeakPolarHBondContact O-CB 3.45Å; D63-K66 PolarHBondContact O-N 2.93Å; G64-K66 VanDerWaalsContact C-N 3.29Å; G64-K66 PolarHBondContact O-N 2.78Å; K66-T79 HydrophobicContact CB-CG2 4.38Å; K66-T79 HydrophobicContact CD-CG2 3.7Å; K66-I80 VanDerWaalsContact CA-O 3.28Å; K66-I80 WeakPolarHBondContact CA-O 3.49Å; K66-I80 VanDerWaalsContact CB-O 3.3Å; K66-I80 WeakPolarHBondContact CB-O 3.46Å
67L98.5Very high96.5Very high0 Ų062.5 Ų62.50%036%0.361CS..EExtended strand (participates in β ladder)trans-95129.4170.5179.867.4000109F11 I33 L40 A44 V60 T62 V69 I80 V82F11-L67 HydrophobicContact CZ-CD2 4.42Å; I33-L67 HydrophobicContact CD1-CD2 4.15Å; L40-L67 HydrophobicContact CD1-CB 3.81Å; A44-L67 HydrophobicContact CB-CD1 3.82Å; V60-L67 HydrophobicContact CG1-CD1 3.76Å; T62-L67 HydrophobicContact CG2-CD1 4.49Å; L67-V69 HydrophobicContact CD2-CG1 4.36Å; L67-V69 HydrophobicContact CG-CG1 4.19Å; L67-I80 HydrophobicContact CB-CB 4.25Å; L67-I80 HydrophobicContact CD2-CD1 4.29Å; L67-I80 PolarHBondContact N-O 2.78Å; L67-I80 WeakPolarHBondContact O-CB 3.47Å; L67-I80 PolarHBondContact O-N 2.88Å; L67-V82 HydrophobicContact CB-CG2 4.33Å
68H98.3Very high96.6Very high42 Ų4256.3 Ų56.319%0.19433%0.334CS..EExtended strand (participates in β ladder)trans-114.3124175.5-59.3-93.1000109.2V60 K61 H78 T79V60-H68 CarbonylContact C-O 3.42Å; V60-H68 WeakPolarHBondContact CA-O 3.27Å; K61-H68 HydrophobicContact CB-CB 4.35Å; K61-H68 PolarHBondContact N-O 2.89Å; K61-H68 PolarHBondContact O-N 2.89Å; H68-H78 WeakPolarHBondContact CA-O 3.3Å; H68-T79 WeakPolarHBondContact CE1-CG2 3.25Å; H68-T79 PolarHBondContact ND1-OG1 2.56Å
69V98Very high96.7Very high0 Ų058.2 Ų58.20%034%0.341CS..EExtended strand (participates in β ladder)trans-125.4125.7178.2-69.30000109.5V23 F47 Q59 V60 L67 S77 H78 I80V23-V69 HydrophobicContact CG2-CG2 3.73Å; F47-V69 HydrophobicContact CD1-CG1 3.69Å; F47-V69 HydrophobicContact CE1-CB 4.04Å; F47-V69 HydrophobicContact CE1-CG1 3.41Å; F47-V69 VanDerWaalsContact CE1-CG1 3.41Å; F47-V69 HydrophobicContact CZ-CG1 4.07Å; Q59-V69 WeakPolarHBondContact O-CA 3.48Å; V60-V69 HydrophobicContact CG1-CG1 4.2Å; V60-V69 HydrophobicContact CG2-CG1 4.43Å; L67-V69 HydrophobicContact CD2-CG1 4.36Å; L67-V69 HydrophobicContact CG-CG1 4.19Å; V69-S77 CarbonylContact O-C 3.55Å; V69-S77 VanDerWaalsContact O-CA 3.3Å; V69-S77 WeakPolarHBondContact O-CA 3.23Å; V69-H78 HydrophobicContact CG2-CB 3.74Å; V69-H78 PolarHBondContact N-O 2.85Å; V69-H78 PolarHBondContact O-N 3.26Å; V69-I80 HydrophobicContact CG2-CD1 3.82Å
70I97.6Very high96.8Very high52 Ų5253.6 Ų53.627%0.26732%0.319SS..EExtended strand (participates in β ladder)trans-125.4116.8-178.7-54.5166.6000108G58 Q59 A76G58-I70 CarbonylContact C-O 3.55Å; G58-I70 WeakPolarHBondContact CA-O 3.36Å; Q59-I70 HydrophobicContact CB-CB 4.38Å; Q59-I70 PolarHBondContact N-O 2.84Å; Q59-I70 PolarHBondContact O-N 2.9Å; I70-A76 CarbonylContact C-O 3.59Å; I70-A76 VanDerWaalsContact CA-O 3.3Å; I70-A76 WeakPolarHBondContact CA-O 3.45Å
71S96.9Very high96.8Very high1 Ų155.4 Ų55.41%0.00733%0.326CS..EExtended strand (participates in β ladder)trans-76.9134.7176.9171.20000111.3V23 L73 N74 N75 A76V23-S71 VanDerWaalsContact CG1-CB 3.42Å; S71-L73 VanDerWaalsContact C-N 3.25Å; S71-L73 WeakPolarHBondContact OG-CB 3.36Å; S71-L73 PolarHBondContact OG-N 2.8Å; S71-L73 VanDerWaalsContact OG-N 3.08Å; S71-N74 WeakPolarHBondContact CB-OD1 3.31Å; S71-N74 PolarHBondContact OG-OD1 3.45Å; S71-N75 WeakPolarHBondContact O-CA 3.49Å; S71-N75 PolarHBondContact O-N 3.08Å; S71-A76 PolarHBondContact N-O 2.96Å
72S96.3Very high96.8Very high78 Ų7851 Ų5155%0.54531%0.309SS..THydrogen-bonded Turntrans-77.8-11172.264.60000113.2K57K57-S72 VanDerWaalsContact C-OG 3.25Å; K57-S72 PolarHBondContact O-N 3Å; K57-S72 PolarHBondContact O-OG 2.81Å
73L93.7Very high96.8Very high118 Ų11849.8 Ų49.862%0.61830%0.298SS*.THydrogen-bonded Turntrans-76.1-35.5-178.7-61.7177.4000112.2E24 S71E24-L73 HydrophobicContact CG-CD1 4.09Å; S71-L73 VanDerWaalsContact C-N 3.25Å; S71-L73 WeakPolarHBondContact OG-CB 3.36Å; S71-L73 PolarHBondContact OG-N 2.8Å; S71-L73 VanDerWaalsContact OG-N 3.08Å
74N96Very high96.9Very high55 Ų5548.1 Ų48.129%0.29429%0.292SS..THydrogen-bonded Turntrans-143.34.3-170.563.411.7000113.7V23 E24 S71 A76V23-N74 PolarHBondContact O-ND2 3.46Å; E24-N74 PolarHBondContact O-ND2 2.89Å; S71-N74 WeakPolarHBondContact CB-OD1 3.31Å; S71-N74 PolarHBondContact OG-OD1 3.45Å; N74-A76 PolarHBondContact O-N 2.66Å; N74-A76 VanDerWaalsContact O-N 3.13Å; N74-A76 WeakPolarHBondContact OD1-CB 3.44Å; N74-A76 PolarHBondContact OD1-N 2.87Å
75N95.8Very high97.2Very high132 Ų13248.3 Ų48.371%0.70628%0.275SS*.  trans58.215.9-174.6-59.1-50.8000115.2S71S71-N75 WeakPolarHBondContact O-CA 3.49Å; S71-N75 PolarHBondContact O-N 3.08Å
76A96.4Very high97.3Very high6 Ų652 Ų525%0.0528%0.281CS..  trans-63.6137.4172.300000110V23 N26 I70 S71 N74V23-A76 HydrophobicContact CG1-CB 3.98Å; V23-A76 WeakPolarHBondContact CG1-O 3.04Å; V23-A76 WeakPolarHBondContact O-CB 3.35Å; N26-A76 HydrophobicContact CB-CB 3.96Å; N26-A76 VanDerWaalsContact CG-CB 3.5Å; N26-A76 VanDerWaalsContact OD1-CB 3.31Å; N26-A76 WeakPolarHBondContact OD1-CB 3.4Å; I70-A76 CarbonylContact C-O 3.59Å; I70-A76 VanDerWaalsContact CA-O 3.3Å; I70-A76 WeakPolarHBondContact CA-O 3.45Å; S71-A76 PolarHBondContact N-O 2.96Å; N74-A76 PolarHBondContact O-N 2.66Å; N74-A76 VanDerWaalsContact O-N 3.13Å; N74-A76 WeakPolarHBondContact OD1-CB 3.44Å; N74-A76 PolarHBondContact OD1-N 2.87Å
77S96.9Very high97.3Very high67 Ų6753.9 Ų53.947%0.46929%0.29SS..EExtended strand (participates in β ladder)trans-130.9125.5-175.8178.10000110.3V69V69-S77 CarbonylContact O-C 3.55Å; V69-S77 VanDerWaalsContact O-CA 3.3Å; V69-S77 WeakPolarHBondContact O-CA 3.23Å
78H98Very high97.2Very high5 Ų554.1 Ų54.12%0.02329%0.291CS..EExtended strand (participates in β ladder)trans-111.9133.1171.9-62.2175.1000109.8V23 V28 D29 V30 H68 V69 I80V23-H78 HydrophobicContact CG2-CB 4.48Å; V23-H78 VanDerWaalsContact CG2-ND1 3.34Å; V23-H78 WeakPolarHBondContact CG2-ND1 2.96Å; V28-H78 PolarHBondContact O-CE1 3.03Å; V28-H78 VanDerWaalsContact O-CE1 3.31Å; V28-H78 PolarHBondContact O-NE2 2.73Å; D29-H78 IonicContact OD1-NE2 3.76Å; V30-H78 PolarHBondContact N-CE1 3.44Å; V30-H78 PolarHBondContact N-ND1 3.46Å; H68-H78 WeakPolarHBondContact CA-O 3.3Å; V69-H78 HydrophobicContact CG2-CB 3.74Å; V69-H78 PolarHBondContact N-O 2.85Å; V69-H78 PolarHBondContact O-N 3.26Å; H78-I80 HydrophobicContact CB-CD1 4.14Å; H78-I80 HydrophobicContact CB-CG1 4.02Å
79T98Very high97.2Very high65 Ų6555.9 Ų55.940%0.39930%0.3SS..EExtended strand (participates in β ladder)trans-110.9115171.4-66.30000108.1K66 H68K66-T79 HydrophobicContact CB-CG2 4.38Å; K66-T79 HydrophobicContact CD-CG2 3.7Å; H68-T79 WeakPolarHBondContact CE1-CG2 3.25Å; H68-T79 PolarHBondContact ND1-OG1 2.56Å
80I98.7Very high97.2Very high0 Ų059.8 Ų59.80%032%0.32CS..EExtended strand (participates in β ladder)trans-119.1120.7-160.6-56.1164.7000109.9V30 I33 K66 L67 V69 H78V30-I80 HydrophobicContact CB-CD1 4.33Å; V30-I80 HydrophobicContact CB-CG1 4.43Å; V30-I80 HydrophobicContact CG1-CD1 4.02Å; V30-I80 HydrophobicContact CG1-CG1 4.14Å; V30-I80 HydrophobicContact CG1-CG2 4.32Å; V30-I80 WeakPolarHBondContact O-CG1 3.24Å; I33-I80 HydrophobicContact CB-CG2 4.1Å; I33-I80 HydrophobicContact CD1-CD1 4.09Å; I33-I80 HydrophobicContact CD1-CG2 3.7Å; I33-I80 HydrophobicContact CG1-CG2 3.69Å; K66-I80 VanDerWaalsContact CA-O 3.28Å; K66-I80 WeakPolarHBondContact CA-O 3.49Å; K66-I80 VanDerWaalsContact CB-O 3.3Å; K66-I80 WeakPolarHBondContact CB-O 3.46Å; L67-I80 HydrophobicContact CB-CB 4.25Å; L67-I80 HydrophobicContact CD2-CD1 4.29Å; L67-I80 PolarHBondContact N-O 2.78Å; L67-I80 WeakPolarHBondContact O-CB 3.47Å; L67-I80 PolarHBondContact O-N 2.88Å; V69-I80 HydrophobicContact CG2-CD1 3.82Å; H78-I80 HydrophobicContact CB-CD1 4.14Å; H78-I80 HydrophobicContact CB-CG1 4.02Å
81Q98.3Very high97.3Very high61 Ų6157.3 Ų57.329%0.28531%0.308SS..EExtended strand (participates in β ladder)trans-70132.2169.1-177.358.950.800109.8V31 A32 I33 F83 A96V31-Q81 PolarHBondContact O-N 3.38Å; A32-Q81 CarbonylContact C-O 3.37Å; A32-Q81 VanDerWaalsContact CA-O 3.27Å; A32-Q81 WeakPolarHBondContact CA-O 3.13Å; I33-Q81 PolarHBondContact N-O 3.04Å; Q81-F83 HydrophobicContact CB-CE2 4.21Å; Q81-F83 HydrophobicContact CB-CZ 4.43Å; Q81-F83 HydrophobicContact CG-CD2 4.35Å; Q81-F83 HydrophobicContact CG-CE1 4.07Å; Q81-F83 HydrophobicContact CG-CE2 3.66Å; Q81-F83 HydrophobicContact CG-CZ 3.5Å; Q81-A96 HydrophobicContact CB-CB 3.9Å; Q81-A96 HydrophobicContact CG-CB 4.44Å
82V98.2Very high97.3Very high20 Ų2064.1 Ų64.112%0.12134%0.337CS..EExtended strand (participates in β ladder)trans-101.9138.2176.3176.20000110.2I33 L40 M43 L67I33-V82 CarbonylContact O-C 3.57Å; I33-V82 WeakPolarHBondContact O-CA 3.43Å; L40-V82 HydrophobicContact CD1-CG2 3.74Å; M43-V82 HydrophobicContact CE-CG1 3.68Å; M43-V82 HydrophobicContact SD-CB 4.39Å; M43-V82 HydrophobicContact SD-CG1 3.54Å; M43-V82 VanDerWaalsContact SD-CG1 3.54Å; M43-V82 HydrophobicContact SD-CG2 3.9Å; L67-V82 HydrophobicContact CB-CG2 4.33Å
83F97.9Very high97.4Very high34 Ų3460.4 Ų60.415%0.14931%0.311CS..EExtended strand (participates in β ladder)trans-125.6156171.9-57.9-79.1000109.5A32 I33 N34 D35 Q81 I91 K92 A96A32-F83 HydrophobicContact CB-CD2 4.37Å; A32-F83 HydrophobicContact CB-CE2 3.94Å; I33-F83 PolarHBondContact O-N 2.88Å; N34-F83 WeakPolarHBondContact CA-O 3.25Å; N34-F83 HydrophobicContact CB-CB 4.13Å; N34-F83 VanDerWaalsContact OD1-C 3.25Å; N34-F83 WeakPolarHBondContact OD1-CB 3.24Å; N34-F83 PolarHBondContact OD1-O 2.68Å; D35-F83 PolarHBondContact N-O 2.58Å; D35-F83 VanDerWaalsContact N-O 3.16Å; Q81-F83 HydrophobicContact CB-CE2 4.21Å; Q81-F83 HydrophobicContact CB-CZ 4.43Å; Q81-F83 HydrophobicContact CG-CD2 4.35Å; Q81-F83 HydrophobicContact CG-CE1 4.07Å; Q81-F83 HydrophobicContact CG-CE2 3.66Å; Q81-F83 HydrophobicContact CG-CZ 3.5Å; F83-I91 HydrophobicContact CB-CG2 4.23Å; F83-I91 HydrophobicContact CD2-CG2 3.9Å; F83-I91 HydrophobicContact CE2-CG2 4.43Å; F83-I91 HydrophobicContact CG-CG2 4.04Å; F83-K92 HydrophobicContact CE1-CB 4.37Å; F83-A96 HydrophobicContact CE2-CB 4.34Å
84T97.2Very high97.6Very high81 Ų8158.6 Ų58.650%0.49731%0.308SS..  trans-134.941.5-18058.90000110.9N34N34-T84 PolarHBondContact OD1-N 3.49Å
85E98.1Very high97.7Very high74 Ų7459.8 Ų59.835%0.34633%0.326SS..  trans-85.2133.7-178.4-63.1-65.2159.800111N34 N90 I91N34-E85 PolarHBondContact ND2-O 3.33Å; N34-E85 PolarHBondContact OD1-N 2.93Å; E85-N90 HydrophobicContact CB-CB 4.21Å; E85-N90 HydrophobicContact CG-CB 4.01Å; E85-N90 WeakPolarHBondContact OE2-CB 3.4Å; E85-I91 HydrophobicContact CB-CG1 3.78Å; E85-I91 HydrophobicContact CG-CG1 4.26Å
86M96.7Very high97.7Very high120 Ų12054.7 Ų54.759%0.59130%0.302SS*.SBendtrans-73.9-31.1174.5-75-66.4-60.100112.9P36 F37P36-M86 HydrophobicContact CB-CG 3.93Å; P36-M86 HydrophobicContact CB-SD 3.39Å; P36-M86 WeakPolarHBondContact CB-SD 3.47Å; P36-M86 HydrophobicContact CG-CG 4.33Å; P36-M86 HydrophobicContact CG-SD 3.36Å; P36-M86 WeakPolarHBondContact CG-SD 3.34Å; F37-M86 HydrophobicContact CE1-SD 4.2Å; F37-M86 HydrophobicContact CZ-CE 4.09Å; F37-M86 HydrophobicContact CZ-SD 3.98Å
87K97.2Very high97.8Very high121 Ų12156 Ų5653%0.52632%0.317SS..SBendtrans-106.6123.4-174.6-73.3-173.3175.7-169.10110.1E89 N90K87-E89 HydrophobicContact CB-CG 4.38Å; K87-E89 PolarHBondContact O-N 3.08Å; K87-E89 VanDerWaalsContact O-N 3.17Å; K87-N90 PolarHBondContact O-N 2.79Å
88P97.7Very high97.9Very high4 Ų452.9 Ų52.93%0.02630%0.295CS..G310 helixtrans-55.9-32.8-177-29.336.5000115.2N90 I91 F108 A116P88-N90 PolarHBondContact O-N 3.26Å; P88-I91 PolarHBondContact O-N 2.8Å; P88-F108 VanDerWaalsContact CD-CZ 3.48Å; P88-F108 HydrophobicContact CG-CD1 3.97Å; P88-F108 HydrophobicContact CG-CD2 3.7Å; P88-F108 HydrophobicContact CG-CE1 3.7Å; P88-F108 HydrophobicContact CG-CE2 3.41Å; P88-F108 VanDerWaalsContact CG-CE2 3.41Å; P88-F108 HydrophobicContact CG-CG 3.98Å; P88-F108 HydrophobicContact CG-CZ 3.42Å; P88-F108 VanDerWaalsContact CG-CZ 3.42Å; P88-A116 HydrophobicContact CB-CB 3.79Å; P88-A116 HydrophobicContact CG-CB 4.46Å
89E97.7Very high97.9Very high80 Ų8055 Ų5537%0.37431%0.305SS..G310 helixtrans-68.2-19.7179.762.5-91-149.800114K87 A116 A119K87-E89 HydrophobicContact CB-CG 4.38Å; K87-E89 PolarHBondContact O-N 3.08Å; K87-E89 VanDerWaalsContact O-N 3.17Å; E89-A116 WeakPolarHBondContact CA-O 3.48Å; E89-A116 HydrophobicContact CB-CB 4.25Å; E89-A119 HydrophobicContact CB-CB 4.04Å
90N98.3Very high97.9Very high81 Ų8152.1 Ų52.143%0.43329%0.286SS..G310 helixtrans-85.8-15.1177.5-68.8-8.1000112.8E85 K87 P88 K92E85-N90 HydrophobicContact CB-CB 4.21Å; E85-N90 HydrophobicContact CG-CB 4.01Å; E85-N90 WeakPolarHBondContact OE2-CB 3.4Å; K87-N90 PolarHBondContact O-N 2.79Å; P88-N90 PolarHBondContact O-N 3.26Å; N90-K92 PolarHBondContact O-N 3.07Å
91I98.5Very high98Very high1 Ų152.1 Ų52.11%0.00529%0.286CS..  trans-74.1113.7-175.7-50.8164.2000109N34 F83 E85 P88 W93 G120N34-I91 HydrophobicContact CB-CD1 3.76Å; N34-I91 HydrophobicContact CB-CG1 4.24Å; N34-I91 HydrophobicContact CB-CG2 4.2Å; N34-I91 VanDerWaalsContact CG-CD1 3.49Å; N34-I91 WeakPolarHBondContact ND2-CD1 3.45Å; F83-I91 HydrophobicContact CB-CG2 4.23Å; F83-I91 HydrophobicContact CD2-CG2 3.9Å; F83-I91 HydrophobicContact CE2-CG2 4.43Å; F83-I91 HydrophobicContact CG-CG2 4.04Å; E85-I91 HydrophobicContact CB-CG1 3.78Å; E85-I91 HydrophobicContact CG-CG1 4.26Å; P88-I91 PolarHBondContact O-N 2.8Å; I91-W93 VanDerWaalsContact C-N 3.27Å; I91-W93 HydrophobicContact CB-CD2 4.31Å; I91-W93 HydrophobicContact CB-CZ2 3.92Å; I91-W93 HydrophobicContact CD1-CH2 4.16Å; I91-W93 HydrophobicContact CD1-CZ2 3.47Å; I91-W93 VanDerWaalsContact CD1-CZ2 3.47Å; I91-W93 HydrophobicContact CG1-CZ2 4.28Å; I91-W93 HydrophobicContact CG2-CD2 3.65Å; I91-W93 VanDerWaalsContact CG2-CE2 3.44Å; I91-W93 HydrophobicContact CG2-CE3 3.83Å; I91-W93 HydrophobicContact CG2-CG 4.34Å; I91-W93 HydrophobicContact CG2-CH2 3.72Å; I91-W93 HydrophobicContact CG2-CZ2 3.51Å; I91-W93 HydrophobicContact CG2-CZ3 3.86Å; I91-W93 PolarHBondContact O-N 3.03Å; I91-G120 WeakPolarHBondContact O-CA 3.42Å
92K98.2Very high98Very high143 Ų14349.2 Ų49.262%0.62227%0.273SS*.  trans-79.967.8-177.9-61.8-178.9-177.4175.80112F83 N90 S94 A95F83-K92 HydrophobicContact CE1-CB 4.37Å; N90-K92 PolarHBondContact O-N 3.07Å; K92-S94 VanDerWaalsContact C-N 3.28Å; K92-S94 PolarHBondContact O-N 3.1Å; K92-A95 HydrophobicContact CB-CB 4.01Å; K92-A95 WeakPolarHBondContact O-CB 3.3Å; K92-A95 PolarHBondContact O-N 3.39Å; K92-A95 VanDerWaalsContact O-N 3.09Å
93W98.7Very high98Very high0 Ų048.3 Ų48.30%027%0.267CS..G310 helixtrans-53.5-43.4179.7-60.3117000113.3N9 A32 N34 I91 A95 A96 G97 A98 V101 H117 G120 A122N9-W93 HydrophobicContact CB-CH2 4.3Å; N9-W93 HydrophobicContact CB-CZ2 4.24Å; A32-W93 HydrophobicContact CB-CE3 3.69Å; A32-W93 HydrophobicContact CB-CZ3 3.65Å; N34-W93 HydrophobicContact CB-CH2 3.98Å; I91-W93 VanDerWaalsContact C-N 3.27Å; I91-W93 HydrophobicContact CB-CD2 4.31Å; I91-W93 HydrophobicContact CB-CZ2 3.92Å; I91-W93 HydrophobicContact CD1-CH2 4.16Å; I91-W93 HydrophobicContact CD1-CZ2 3.47Å; I91-W93 VanDerWaalsContact CD1-CZ2 3.47Å; I91-W93 HydrophobicContact CG1-CZ2 4.28Å; I91-W93 HydrophobicContact CG2-CD2 3.65Å; I91-W93 VanDerWaalsContact CG2-CE2 3.44Å; I91-W93 HydrophobicContact CG2-CE3 3.83Å; I91-W93 HydrophobicContact CG2-CG 4.34Å; I91-W93 HydrophobicContact CG2-CH2 3.72Å; I91-W93 HydrophobicContact CG2-CZ2 3.51Å; I91-W93 HydrophobicContact CG2-CZ3 3.86Å; I91-W93 PolarHBondContact O-N 3.03Å; W93-A95 PolarHBondContact O-N 2.84Å; W93-A96 CarbonylContact O-C 3.58Å; W93-A96 PolarHBondContact O-N 3.12Å; W93-G97 PolarHBondContact O-N 3.18Å; W93-G97 VanDerWaalsContact O-N 3.09Å; W93-A98 HydrophobicContact CB-CB 4.06Å; W93-A98 HydrophobicContact CE3-CB 3.96Å; W93-A98 PolarHBondContact O-N 2.95Å; W93-V101 HydrophobicContact CD2-CG2 3.78Å; W93-V101 HydrophobicContact CE3-CG2 4.3Å; W93-V101 HydrophobicContact CG-CG2 4.02Å; W93-V101 HydrophobicContact CH2-CG1 4.37Å; W93-V101 HydrophobicContact CZ2-CG1 3.89Å; W93-V101 HydrophobicContact CZ2-CG2 4.19Å; W93-H117 VanDerWaalsContact CD1-O 3.29Å; W93-H117 AromaticContact CE2-ND1 3.75Å; W93-H117 AromaticContact CZ2-ND1 3.64Å; W93-H117 AromaticContact NE1-CG 3.93Å; W93-H117 AromaticContact NE1-ND1 3.32Å; W93-H117 PolarHBondContact NE1-ND1 3.17Å; W93-G120 PolarHBondContact N-O 3.22Å; W93-G120 VanDerWaalsContact N-O 3.07Å; W93-A122 HydrophobicContact CG-CB 4.38Å
94S97.7Very high98.1Very high80 Ų8047.5 Ų47.556%0.55927%0.266SS*.G310 helixtrans-59.6-31.817956.30000113.4K92 A96 G97 G120K92-S94 VanDerWaalsContact C-N 3.28Å; K92-S94 PolarHBondContact O-N 3.1Å; S94-A96 PolarHBondContact O-N 3.05Å; S94-G97 PolarHBondContact O-N 2.95Å; S94-G120 PolarHBondContact N-O 3.41Å; S94-G120 PolarHBondContact OG-O 3.45Å
95A97.2Very high98.1Very high80 Ų8046 Ų4666%0.66126%0.256SS*.G310 helixtrans-66.1-25.3177.500000112.7K92 W93K92-A95 HydrophobicContact CB-CB 4.01Å; K92-A95 WeakPolarHBondContact O-CB 3.3Å; K92-A95 PolarHBondContact O-N 3.39Å; K92-A95 VanDerWaalsContact O-N 3.09Å; W93-A95 PolarHBondContact O-N 2.84Å
96A97.2Very high98Very high25 Ų2544.9 Ų44.921%0.20727%0.265CS..G310 helixtrans-99-2.7172.800000113V31 A32 Q81 F83 W93 S94 A98V31-A96 WeakPolarHBondContact CB-O 3.33Å; V31-A96 HydrophobicContact CG2-CB 4.49Å; V31-A96 VanDerWaalsContact CG2-O 3.25Å; V31-A96 WeakPolarHBondContact CG2-O 3.33Å; A32-A96 HydrophobicContact CB-CB 3.81Å; Q81-A96 HydrophobicContact CB-CB 3.9Å; Q81-A96 HydrophobicContact CG-CB 4.44Å; F83-A96 HydrophobicContact CE2-CB 4.34Å; W93-A96 CarbonylContact O-C 3.58Å; W93-A96 PolarHBondContact O-N 3.12Å; S94-A96 PolarHBondContact O-N 3.05Å; A96-A98 VanDerWaalsContact C-N 3.3Å
97G97.7Very high97.9Very high35 Ų3543.2 Ų43.236%0.36126%0.262SS..THydrogen-bonded Turntrans72.217.3-173.900000114.5K5 W93 S94 E99K5-G97 WeakPolarHBondContact CB-O 3.09Å; W93-G97 PolarHBondContact O-N 3.18Å; W93-G97 VanDerWaalsContact O-N 3.09Å; S94-G97 PolarHBondContact O-N 2.95Å; G97-E99 PolarHBondContact O-N 3.34Å
98A98.6Very high97.9Very high0 Ų039.5 Ų39.50%025%0.245CC..  trans-74121.6178.200000111.1V31 A32 W93 A96V31-A98 HydrophobicContact CG2-CB 3.8Å; A32-A98 HydrophobicContact CB-CB 4.06Å; W93-A98 HydrophobicContact CB-CB 4.06Å; W93-A98 HydrophobicContact CE3-CB 3.96Å; W93-A98 PolarHBondContact O-N 2.95Å; A96-A98 VanDerWaalsContact C-N 3.3Å
99E98.3Very high97.9Very high51 Ų5141 Ų4124%0.23826%0.255CS..  trans-111.2-35.3-177.8-62.6-170.4153.500112.7K5 G97 K123 K124K5-E99 PolarHBondContact O-N 3.03Å; G97-E99 PolarHBondContact O-N 3.34Å; E99-K123 HydrophobicContact CB-CB 4.4Å; E99-K123 HydrophobicContact CB-CD 4.15Å; E99-K123 HydrophobicContact CB-CG 4.29Å; E99-K123 HydrophobicContact CG-CD 4.14Å; E99-K123 HydrophobicContact CG-CG 4.49Å; E99-K123 PolarHBondContact O-N 2.94Å; E99-K123 VanDerWaalsContact OE1-CE 3.25Å; E99-K123 WeakPolarHBondContact OE1-CE 3.18Å; E99-K123 IonicContact OE1-NZ 3.47Å; E99-K123 PolarHBondContact OE1-NZ 2.91Å; E99-K123 IonicContact OE2-NZ 3.19Å; E99-K123 PolarHBondContact OE2-NZ 3.44Å; E99-K124 PolarHBondContact O-N 3.32Å
100Y98.8Very high97.9Very high3 Ų341.1 Ų41.11%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-105.3115.5176.2-65.7-103.9000108.5P4 K5 V6 G7 K124 I126 I336 M339 F340 D343P4-Y100 HydrophobicContact CB-CD2 3.75Å; P4-Y100 HydrophobicContact CB-CE2 3.97Å; P4-Y100 HydrophobicContact CB-CG 4.38Å; K5-Y100 PolarHBondContact O-N 3.26Å; K5-Y100 VanDerWaalsContact O-N 3.08Å; V6-Y100 CarbonylContact C-O 3.43Å; V6-Y100 VanDerWaalsContact CA-O 3.23Å; V6-Y100 WeakPolarHBondContact CA-O 3.33Å; G7-Y100 PolarHBondContact N-O 3.46Å; Y100-K124 WeakPolarHBondContact CA-O 3.48Å; Y100-K124 HydrophobicContact CD1-CB 3.56Å; Y100-K124 HydrophobicContact CD1-CG 3.9Å; Y100-K124 HydrophobicContact CE1-CB 3.77Å; Y100-K124 HydrophobicContact CE1-CG 3.53Å; Y100-K124 HydrophobicContact CG-CB 4.21Å; Y100-I126 HydrophobicContact CD1-CD1 4.23Å; Y100-I336 HydrophobicContact CD1-CG2 4.11Å; Y100-I336 HydrophobicContact CG-CG2 4.02Å; Y100-M339 HydrophobicContact CD1-CE 4.48Å; Y100-M339 HydrophobicContact CE1-CB 3.97Å; Y100-M339 HydrophobicContact CE1-CE 4.36Å; Y100-F340 HydrophobicContact CE2-CB 4.48Å; Y100-F340 AromaticContact CE2-CD2 3.7Å; Y100-F340 HydrophobicContact CE2-CD2 3.7Å; Y100-F340 AromaticContact CZ-CD2 3.95Å; Y100-F340 WeakPolarHBondContact OH-CA 3.33Å; Y100-D343 PolarHBondContact OH-OD2 3.17Å
101V98.9Very high97.8Very high0 Ų040.6 Ų40.60%025%0.25CC..EExtended strand (participates in β ladder)trans-103.4126.9-178.9173.90000110.4G7 W93 H117 A122 K124 V125 I126G7-V101 CarbonylContact O-C 3.49Å; G7-V101 WeakPolarHBondContact O-CA 3.32Å; W93-V101 HydrophobicContact CD2-CG2 3.78Å; W93-V101 HydrophobicContact CE3-CG2 4.3Å; W93-V101 HydrophobicContact CG-CG2 4.02Å; W93-V101 HydrophobicContact CH2-CG1 4.37Å; W93-V101 HydrophobicContact CZ2-CG1 3.89Å; W93-V101 HydrophobicContact CZ2-CG2 4.19Å; V101-H117 HydrophobicContact CG1-CB 4.48Å; V101-A122 HydrophobicContact CB-CB 4.34Å; V101-A122 HydrophobicContact CG2-CB 3.49Å; V101-A122 VanDerWaalsContact CG2-CB 3.49Å; V101-K124 PolarHBondContact N-O 2.91Å; V101-V125 CarbonylContact O-C 3.56Å; V101-V125 WeakPolarHBondContact O-CA 3.43Å; V101-I126 PolarHBondContact O-N 2.99Å
102V98.9Very high97.8Very high0 Ų047.5 Ų47.50%028%0.282CS..EExtended strand (participates in β ladder)trans-86.7113167.1179.90000108.2V6 G7 I8 N9 V18 S104 I126 V332 I336V6-V102 HydrophobicContact CG1-CG2 4.08Å; G7-V102 PolarHBondContact O-N 3.5Å; I8-V102 HydrophobicContact CG1-CB 4.37Å; N9-V102 PolarHBondContact N-O 2.99Å; V18-V102 HydrophobicContact CG1-CG2 4.19Å; V102-S104 PolarHBondContact O-N 3.39Å; V102-I126 WeakPolarHBondContact CA-O 3.44Å; V102-V332 HydrophobicContact CB-CG1 4.48Å; V102-V332 HydrophobicContact CG1-CG1 3.97Å; V102-V332 HydrophobicContact CG2-CG1 3.63Å; V102-I336 HydrophobicContact CG2-CD1 3.6Å
103E98.8Very high97.7Very high2 Ų245.3 Ų45.31%0.00927%0.273CS..EExtended strand (participates in β ladder)trans-90.598.2174.1170.740-114.700108.8N9 T105 F108 H117 V125 I126 S128N9-E103 PolarHBondContact ND2-OE2 3.01Å; E103-T105 WeakPolarHBondContact OE1-CA 3.37Å; E103-T105 VanDerWaalsContact OE1-CB 3.23Å; E103-T105 WeakPolarHBondContact OE1-CB 3.33Å; E103-T105 WeakPolarHBondContact OE1-CG2 3.46Å; E103-T105 PolarHBondContact OE1-N 2.59Å; E103-T105 PolarHBondContact OE1-OG1 2.78Å; E103-F108 HydrophobicContact CG-CB 3.98Å; E103-F108 WeakPolarHBondContact OE2-CD2 3.2Å; E103-H117 IonicContact OE2-CE1 3.65Å; E103-H117 IonicContact OE2-NE2 3.27Å; E103-H117 PolarHBondContact OE2-NE2 3.3Å; E103-V125 HydrophobicContact CB-CG1 3.99Å; E103-I126 PolarHBondContact N-O 3.28Å; E103-S128 PolarHBondContact O-N 3.43Å; E103-S128 PolarHBondContact O-OG 3.36Å
104S98.7Very high97.7Very high17 Ų1745.3 Ų45.312%0.11927%0.273CS..  trans-122.122.5-174.151.50000114.5N9 G10 V102 S128N9-S104 CarbonylContact O-C 3.56Å; N9-S104 WeakPolarHBondContact O-CA 3.44Å; N9-S104 PolarHBondContact O-N 2.84Å; N9-S104 PolarHBondContact O-OG 3.17Å; G10-S104 PolarHBondContact O-OG 2.91Å; V102-S104 PolarHBondContact O-N 3.39Å; S104-S128 WeakPolarHBondContact CA-OG 3.34Å; S104-S128 WeakPolarHBondContact CB-OG 3.33Å
105T97.9Very high97.7Very high48 Ų4848 Ų4829%0.29427%0.274SS..SBendtrans-79.2-25.5174.170.40000112.6N9 E103 V107 F108N9-T105 HydrophobicContact CB-CG2 4.31Å; N9-T105 VanDerWaalsContact ND2-CG2 3.26Å; N9-T105 WeakPolarHBondContact ND2-CG2 3.36Å; N9-T105 PolarHBondContact O-N 3.19Å; E103-T105 WeakPolarHBondContact OE1-CA 3.37Å; E103-T105 VanDerWaalsContact OE1-CB 3.23Å; E103-T105 WeakPolarHBondContact OE1-CB 3.33Å; E103-T105 WeakPolarHBondContact OE1-CG2 3.46Å; E103-T105 PolarHBondContact OE1-N 2.59Å; E103-T105 PolarHBondContact OE1-OG1 2.78Å; T105-V107 VanDerWaalsContact C-N 3.28Å; T105-V107 PolarHBondContact O-N 3.28Å; T105-V107 WeakPolarHBondContact OG1-CG2 3.41Å; T105-V107 PolarHBondContact OG1-N 3.19Å; T105-V107 VanDerWaalsContact OG1-N 3.14Å; T105-F108 HydrophobicContact CG2-CD2 4.28Å; T105-F108 HydrophobicContact CG2-CE2 4.33Å; T105-F108 WeakPolarHBondContact OG1-CD2 3.24Å
106G95.3Very high97.8Very high51 Ų5145.3 Ų45.353%0.52625%0.252SS..SBendtrans78.90.5-173.300000114.9
107V95.2Very high97.9Very high86 Ų8644.1 Ų44.152%0.52124%0.242SC..SBendtrans-108.1-18.5-178.5-59.10000114.5T105T105-V107 VanDerWaalsContact C-N 3.28Å; T105-V107 PolarHBondContact O-N 3.28Å; T105-V107 WeakPolarHBondContact OG1-CG2 3.41Å; T105-V107 PolarHBondContact OG1-N 3.19Å; T105-V107 VanDerWaalsContact OG1-N 3.14Å
108F97.1Very high97.9Very high42 Ų4245 Ų4518%0.18424%0.238CC..  trans-109.147-178.7-51.9-69000112.6P88 E103 T105 K110 K113P88-F108 VanDerWaalsContact CD-CZ 3.48Å; P88-F108 HydrophobicContact CG-CD1 3.97Å; P88-F108 HydrophobicContact CG-CD2 3.7Å; P88-F108 HydrophobicContact CG-CE1 3.7Å; P88-F108 HydrophobicContact CG-CE2 3.41Å; P88-F108 VanDerWaalsContact CG-CE2 3.41Å; P88-F108 HydrophobicContact CG-CG 3.98Å; P88-F108 HydrophobicContact CG-CZ 3.42Å; P88-F108 VanDerWaalsContact CG-CZ 3.42Å; E103-F108 HydrophobicContact CG-CB 3.98Å; E103-F108 WeakPolarHBondContact OE2-CD2 3.2Å; T105-F108 HydrophobicContact CG2-CD2 4.28Å; T105-F108 HydrophobicContact CG2-CE2 4.33Å; T105-F108 WeakPolarHBondContact OG1-CD2 3.24Å; F108-K110 PolarHBondContact O-N 3.43Å; F108-K113 HydrophobicContact CB-CB 4.04Å; F108-K113 HydrophobicContact CD1-CB 4.07Å; F108-K113 HydrophobicContact CD1-CD 4.25Å
109T97.3Very high97.8Very high37 Ų3748.8 Ų48.823%0.22727%0.269CS..  trans-870.8-172.360.50000115.7I127 A129 S131T109-I127 HydrophobicContact CG2-CG2 4.03Å; T109-A129 HydrophobicContact CG2-CB 4.04Å; T109-S131 VanDerWaalsContact O-CB 3.28Å; T109-S131 WeakPolarHBondContact O-CB 3.49Å; T109-S131 PolarHBondContact O-OG 3.06Å
110K97.7Very high97.8Very high81 Ų8146.8 Ų46.835%0.35226%0.262SS..SBendtrans-99.1149.2173.2-63.3-167.6176.9-149.80110.4F108 E112 K113 A114 E132 D133F108-K110 PolarHBondContact O-N 3.43Å; K110-E112 VanDerWaalsContact C-N 3.28Å; K110-E112 PolarHBondContact O-N 2.79Å; K110-K113 PolarHBondContact O-N 2.79Å; K110-K113 VanDerWaalsContact O-N 3.13Å; K110-A114 WeakPolarHBondContact O-CB 3.33Å; K110-A114 PolarHBondContact O-N 2.89Å; K110-E132 WeakPolarHBondContact CE-OE2 3.44Å; K110-E132 IonicContact NZ-OE1 3.55Å; K110-E132 IonicContact NZ-OE2 3.93Å; K110-E132 PolarHBondContact NZ-OE2 3.42Å; K110-D133 WeakPolarHBondContact CA-OD1 3.4Å
111M97.4Very high97.7Very high70 Ų7048.2 Ų48.235%0.34528%0.278SS..Hα-helixtrans-54.1-44.8179.5-72.3-175.673.900112.4K113 A114 K115 D133 A134 I153M111-K113 VanDerWaalsContact C-N 3.33Å; M111-K113 PolarHBondContact O-N 3.03Å; M111-A114 PolarHBondContact O-N 3.13Å; M111-K115 VanDerWaalsContact O-CB 3.26Å; M111-K115 WeakPolarHBondContact O-CB 3.45Å; M111-K115 PolarHBondContact O-N 3.02Å; M111-D133 HydrophobicContact CG-CB 4.4Å; M111-D133 PolarHBondContact N-OD1 2.84Å; M111-D133 PolarHBondContact N-OD2 3.46Å; M111-D133 HydrophobicContact SD-CB 4.47Å; M111-D133 VanDerWaalsContact SD-O 3.41Å; M111-A134 HydrophobicContact CG-CB 3.65Å; M111-A134 HydrophobicContact SD-CB 4.39Å; M111-I153 HydrophobicContact CG-CG2 4.45Å; M111-I153 WeakPolarHBondContact O-CD1 3.39Å
112E97.3Very high97.7Very high147 Ų14748.6 Ų48.669%0.68728%0.281SS*.Hα-helixtrans-58.4-42.9179.7179-98.716800112.4K110K110-E112 VanDerWaalsContact C-N 3.28Å; K110-E112 PolarHBondContact O-N 2.79Å
113K98Very high97.7Very high97 Ų9753.7 Ų53.742%0.42230%0.303SS..Hα-helixtrans-72.5-47176.9-71.6-169.8176.2-170.80113.1F108 K110 M111 K115 A116F108-K113 HydrophobicContact CB-CB 4.04Å; F108-K113 HydrophobicContact CD1-CB 4.07Å; F108-K113 HydrophobicContact CD1-CD 4.25Å; K110-K113 PolarHBondContact O-N 2.79Å; K110-K113 VanDerWaalsContact O-N 3.13Å; M111-K113 VanDerWaalsContact C-N 3.33Å; M111-K113 PolarHBondContact O-N 3.03Å; K113-K115 PolarHBondContact O-N 2.88Å; K113-A116 VanDerWaalsContact O-CB 3.25Å; K113-A116 WeakPolarHBondContact O-CB 3.45Å; K113-A116 PolarHBondContact O-N 3.2Å; K113-A116 VanDerWaalsContact O-N 3.17Å
114A98.3Very high97.7Very high0 Ų054.2 Ų54.20%031%0.305CS..Hα-helixtrans-63.1-29.4179.600000112.1K110 M111 A116 H117 V125 I127 I153K110-A114 WeakPolarHBondContact O-CB 3.33Å; K110-A114 PolarHBondContact O-N 2.89Å; M111-A114 PolarHBondContact O-N 3.13Å; A114-A116 PolarHBondContact O-N 3.42Å; A114-A116 VanDerWaalsContact O-N 3.15Å; A114-H117 PolarHBondContact O-CD2 2.95Å; A114-H117 VanDerWaalsContact O-CD2 3.26Å; A114-H117 PolarHBondContact O-N 3.03Å; A114-V125 HydrophobicContact CB-CG1 4.14Å; A114-I127 HydrophobicContact CB-CD1 4Å; A114-I127 HydrophobicContact CB-CG1 4.16Å; A114-I153 HydrophobicContact CB-CD1 4.27Å; A114-I153 HydrophobicContact CB-CG2 3.82Å
115K97.9Very high97.7Very high135 Ų13553.4 Ų53.459%0.58730%0.299SS*.THydrogen-bonded Turntrans-59.6-23.5176.4-170.9176.6-179.8-178.40113M111 K113 H117 M118 I153M111-K115 VanDerWaalsContact O-CB 3.26Å; M111-K115 WeakPolarHBondContact O-CB 3.45Å; M111-K115 PolarHBondContact O-N 3.02Å; K113-K115 PolarHBondContact O-N 2.88Å; K115-H117 PolarHBondContact O-N 3Å; K115-H117 VanDerWaalsContact O-N 3.15Å; K115-M118 HydrophobicContact CG-SD 3.98Å; K115-M118 VanDerWaalsContact O-CB 3.32Å; K115-M118 WeakPolarHBondContact O-CB 3.34Å; K115-M118 PolarHBondContact O-N 2.65Å; K115-I153 HydrophobicContact CB-CD1 3.78Å; K115-I153 HydrophobicContact CG-CD1 4.45Å
116A98.2Very high97.7Very high25 Ų2551.1 Ų51.121%0.20729%0.285CS..Hα-helixtrans-56.3-30.4177.800000112.9P88 E89 K113 A114 M118 A119P88-A116 HydrophobicContact CB-CB 3.79Å; P88-A116 HydrophobicContact CG-CB 4.46Å; E89-A116 WeakPolarHBondContact CA-O 3.48Å; E89-A116 HydrophobicContact CB-CB 4.25Å; K113-A116 VanDerWaalsContact O-CB 3.25Å; K113-A116 WeakPolarHBondContact O-CB 3.45Å; K113-A116 PolarHBondContact O-N 3.2Å; K113-A116 VanDerWaalsContact O-N 3.17Å; A114-A116 PolarHBondContact O-N 3.42Å; A114-A116 VanDerWaalsContact O-N 3.15Å; A116-M118 PolarHBondContact O-N 3.47Å; A116-A119 WeakPolarHBondContact O-CB 3.4Å; A116-A119 PolarHBondContact O-N 3.29Å
117H98.7Very high97.9Very high0 Ų048.7 Ų48.70%026%0.261CS..Hα-helixtrans-60.5-27.3174.1-67.1-62.2000114.1N9 W93 V101 E103 A114 K115 A119 G120 A122 V125N9-H117 PolarHBondContact ND2-CE1 3.28Å; N9-H117 VanDerWaalsContact ND2-CE1 3.29Å; W93-H117 VanDerWaalsContact CD1-O 3.29Å; W93-H117 AromaticContact CE2-ND1 3.75Å; W93-H117 AromaticContact CZ2-ND1 3.64Å; W93-H117 AromaticContact NE1-CG 3.93Å; W93-H117 AromaticContact NE1-ND1 3.32Å; W93-H117 PolarHBondContact NE1-ND1 3.17Å; V101-H117 HydrophobicContact CG1-CB 4.48Å; E103-H117 IonicContact OE2-CE1 3.65Å; E103-H117 IonicContact OE2-NE2 3.27Å; E103-H117 PolarHBondContact OE2-NE2 3.3Å; A114-H117 PolarHBondContact O-CD2 2.95Å; A114-H117 VanDerWaalsContact O-CD2 3.26Å; A114-H117 PolarHBondContact O-N 3.03Å; K115-H117 PolarHBondContact O-N 3Å; K115-H117 VanDerWaalsContact O-N 3.15Å; H117-A119 VanDerWaalsContact C-N 3.26Å; H117-A119 PolarHBondContact O-N 3.36Å; H117-G120 PolarHBondContact O-N 3.34Å; H117-G120 VanDerWaalsContact O-N 3.11Å; H117-A122 HydrophobicContact CB-CB 4.09Å; H117-A122 WeakPolarHBondContact O-CB 3.36Å; H117-A122 PolarHBondContact O-N 2.79Å; H117-V125 HydrophobicContact CB-CG2 3.98Å
118M98.2Very high98.1Very high53 Ų5345.4 Ų45.426%0.26124%0.241SC..Hα-helixtrans-68.7-26.2-179.3-61-178.7176.300112.2K115 A116 G120 G121 V125 N152 I153K115-M118 HydrophobicContact CG-SD 3.98Å; K115-M118 VanDerWaalsContact O-CB 3.32Å; K115-M118 WeakPolarHBondContact O-CB 3.34Å; K115-M118 PolarHBondContact O-N 2.65Å; A116-M118 PolarHBondContact O-N 3.47Å; M118-G120 PolarHBondContact O-N 3.38Å; M118-G121 PolarHBondContact O-N 2.69Å; M118-V125 HydrophobicContact CE-CG2 4.49Å; M118-N152 HydrophobicContact CE-CB 3.51Å; M118-I153 HydrophobicContact CE-CD1 3.95Å; M118-I153 HydrophobicContact CE-CG1 3.51Å
119A97.6Very high98.1Very high80 Ų8044.6 Ų44.666%0.66124%0.242SC*.Hα-helixtrans-62.2-30.6172.900000112E89 A116 H117 G121E89-A119 HydrophobicContact CB-CB 4.04Å; A116-A119 WeakPolarHBondContact O-CB 3.4Å; A116-A119 PolarHBondContact O-N 3.29Å; H117-A119 VanDerWaalsContact C-N 3.26Å; H117-A119 PolarHBondContact O-N 3.36Å; A119-G121 VanDerWaalsContact C-N 3.28Å; A119-G121 PolarHBondContact O-N 2.93Å
120G97.4Very high98Very high8 Ų845.7 Ų45.78%0.08225%0.25CC..THydrogen-bonded Turntrans-78.5-4.3174.200000115.2I91 W93 S94 H117 M118I91-G120 WeakPolarHBondContact O-CA 3.42Å; W93-G120 PolarHBondContact N-O 3.22Å; W93-G120 VanDerWaalsContact N-O 3.07Å; S94-G120 PolarHBondContact N-O 3.41Å; S94-G120 PolarHBondContact OG-O 3.45Å; H117-G120 PolarHBondContact O-N 3.34Å; H117-G120 VanDerWaalsContact O-N 3.11Å; M118-G120 PolarHBondContact O-N 3.38Å
121G97.8Very high97.9Very high34 Ų3442 Ų4235%0.35124%0.235SC..THydrogen-bonded Turntrans96.69.1-178.800000115.6M118 A119M118-G121 PolarHBondContact O-N 2.69Å; A119-G121 VanDerWaalsContact C-N 3.28Å; A119-G121 PolarHBondContact O-N 2.93Å
122A98.5Very high97.7Very high7 Ų745.2 Ų45.26%0.05825%0.249CC..  trans-64.6138.8169.600000110.7W93 V101 H117W93-A122 HydrophobicContact CG-CB 4.38Å; V101-A122 HydrophobicContact CB-CB 4.34Å; V101-A122 HydrophobicContact CG2-CB 3.49Å; V101-A122 VanDerWaalsContact CG2-CB 3.49Å; H117-A122 HydrophobicContact CB-CB 4.09Å; H117-A122 WeakPolarHBondContact O-CB 3.36Å; H117-A122 PolarHBondContact O-N 2.79Å
123K98.2Very high97.7Very high108 Ų10841.9 Ų41.947%0.4724%0.236SC..SBendtrans-91.7-40.6176.2-66.3-178.4177.9167.60112E99E99-K123 HydrophobicContact CB-CB 4.4Å; E99-K123 HydrophobicContact CB-CD 4.15Å; E99-K123 HydrophobicContact CB-CG 4.29Å; E99-K123 HydrophobicContact CG-CD 4.14Å; E99-K123 HydrophobicContact CG-CG 4.49Å; E99-K123 PolarHBondContact O-N 2.94Å; E99-K123 VanDerWaalsContact OE1-CE 3.25Å; E99-K123 WeakPolarHBondContact OE1-CE 3.18Å; E99-K123 IonicContact OE1-NZ 3.47Å; E99-K123 PolarHBondContact OE1-NZ 2.91Å; E99-K123 IonicContact OE2-NZ 3.19Å; E99-K123 PolarHBondContact OE2-NZ 3.44Å
124K98.6Very high97.7Very high12 Ų1237.5 Ų37.55%0.05222%0.218CC..EExtended strand (participates in β ladder)trans-130.5145.6-177.3-59.6-64.3-173.9171.50110.5E99 Y100 V101 Y146 P148 Y151 N152 M339 D343E99-K124 PolarHBondContact O-N 3.32Å; Y100-K124 WeakPolarHBondContact CA-O 3.48Å; Y100-K124 HydrophobicContact CD1-CB 3.56Å; Y100-K124 HydrophobicContact CD1-CG 3.9Å; Y100-K124 HydrophobicContact CE1-CB 3.77Å; Y100-K124 HydrophobicContact CE1-CG 3.53Å; Y100-K124 HydrophobicContact CG-CB 4.21Å; V101-K124 PolarHBondContact N-O 2.91Å; K124-Y146 WeakPolarHBondContact CE-OH 3.27Å; K124-Y146 PolarHBondContact NZ-OH 2.73Å; K124-P148 PolarHBondContact NZ-O 3.41Å; K124-Y151 PolarHBondContact NZ-O 3.43Å; K124-N152 CarbonylContact C-O 3.52Å; K124-N152 VanDerWaalsContact CA-O 3.31Å; K124-N152 WeakPolarHBondContact CA-O 3.48Å; K124-N152 HydrophobicContact CD-CB 4.48Å; K124-N152 PolarHBondContact NZ-OD1 3.14Å; K124-M339 HydrophobicContact CB-CE 3.91Å; K124-M339 HydrophobicContact CD-CE 4.13Å; K124-M339 HydrophobicContact CG-CE 4.07Å; K124-D343 VanDerWaalsContact CE-OD2 3.24Å; K124-D343 WeakPolarHBondContact CE-OD2 3.27Å; K124-D343 IonicContact NZ-OD1 3.99Å
125V98.8Very high97.7Very high0 Ų039 Ų390%023%0.227CC..EExtended strand (participates in β ladder)trans-126.9130.6176-173.80000110.2V101 E103 A114 H117 M118 N152 I153 V154V101-V125 CarbonylContact O-C 3.56Å; V101-V125 WeakPolarHBondContact O-CA 3.43Å; E103-V125 HydrophobicContact CB-CG1 3.99Å; A114-V125 HydrophobicContact CB-CG1 4.14Å; H117-V125 HydrophobicContact CB-CG2 3.98Å; M118-V125 HydrophobicContact CE-CG2 4.49Å; V125-N152 PolarHBondContact N-O 3.18Å; V125-I153 HydrophobicContact CB-CG1 4.25Å; V125-I153 HydrophobicContact CB-CG2 4.3Å; V125-I153 HydrophobicContact CG2-CG1 4.48Å; V125-I153 WeakPolarHBondContact O-CA 3.31Å; V125-V154 PolarHBondContact O-N 2.84Å
126I98.9Very high97.7Very high0 Ų033.3 Ų33.30%020%0.203CC..EExtended strand (participates in β ladder)trans-114.2105.3177.8-56.382.3000107.5Y100 V101 V102 E103 S128 V154 N156 V332 L335 I336 M339Y100-I126 HydrophobicContact CD1-CD1 4.23Å; V101-I126 PolarHBondContact O-N 2.99Å; V102-I126 WeakPolarHBondContact CA-O 3.44Å; E103-I126 PolarHBondContact N-O 3.28Å; I126-S128 PolarHBondContact O-N 3.35Å; I126-V154 HydrophobicContact CB-CG2 4.45Å; I126-V154 HydrophobicContact CG1-CG2 4.05Å; I126-V154 HydrophobicContact CG2-CG2 4.42Å; I126-N156 HydrophobicContact CG2-CB 4.18Å; I126-V332 HydrophobicContact CG2-CG1 4.38Å; I126-L335 HydrophobicContact CG2-CD2 3.98Å; I126-I336 HydrophobicContact CD1-CD1 4.27Å; I126-I336 HydrophobicContact CD1-CG1 3.66Å; I126-I336 HydrophobicContact CG1-CG1 3.94Å; I126-M339 HydrophobicContact CD1-SD 4.44Å; I126-M339 HydrophobicContact CG1-SD 4.02Å
127I98.9Very high97.7Very high1 Ų132.2 Ų32.21%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-74.5120.8176-57.9168.4000108.3T109 A114 A129 A134 I153 V154 S155 N156T109-I127 HydrophobicContact CG2-CG2 4.03Å; A114-I127 HydrophobicContact CB-CD1 4Å; A114-I127 HydrophobicContact CB-CG1 4.16Å; I127-A129 HydrophobicContact CG2-CB 4.39Å; I127-A129 WeakPolarHBondContact CG2-O 3.25Å; I127-A129 PolarHBondContact O-N 2.95Å; I127-A134 HydrophobicContact CD1-CB 4.01Å; I127-I153 HydrophobicContact CD1-CG2 3.81Å; I127-I153 HydrophobicContact CG1-CG2 4.25Å; I127-V154 PolarHBondContact N-O 2.87Å; I127-S155 WeakPolarHBondContact O-CA 3.28Å; I127-N156 PolarHBondContact O-N 3.34Å
128S98.7Very high97.7Very high17 Ų1732.2 Ų32.212%0.11919%0.193CC..SBendtrans-85.136.6-177.6900000112.8E103 S104 I126 Y328E103-S128 PolarHBondContact O-N 3.43Å; E103-S128 PolarHBondContact O-OG 3.36Å; S104-S128 WeakPolarHBondContact CA-OG 3.34Å; S104-S128 WeakPolarHBondContact CB-OG 3.33Å; I126-S128 PolarHBondContact O-N 3.35Å; S128-Y328 VanDerWaalsContact CA-OH 3.24Å; S128-Y328 WeakPolarHBondContact CA-OH 3.41Å; S128-Y328 PolarHBondContact O-OH 2.91Å
129A97.1Very high97.7Very high24 Ų2430.5 Ų30.520%0.19819%0.185CC..SBendtrans-161.1163.6179.400000109.2T109 I127 S131 S155 A157 Y328T109-A129 HydrophobicContact CG2-CB 4.04Å; I127-A129 HydrophobicContact CG2-CB 4.39Å; I127-A129 WeakPolarHBondContact CG2-O 3.25Å; I127-A129 PolarHBondContact O-N 2.95Å; A129-S131 PolarHBondContact O-N 3.36Å; A129-S155 PolarHBondContact O-OG 2.88Å; A129-A157 CarbonylContact C-O 3.54Å; A129-A157 WeakPolarHBondContact CA-O 3.49Å; A129-Y328 PolarHBondContact N-OH 3.47Å
130P95.4Very high97.8Very high60 Ų6027 Ų2739%0.3916%0.157SC..  trans-54.7138.7169.2-24.935.1000111.7M136P130-M136 HydrophobicContact CB-SD 4.15Å
131S96.5Very high97.8Very high5 Ų527.4 Ų27.44%0.03516%0.158CC..  trans-109.4146171.9-173.50000110.8T109 A129 D133 A134T109-S131 VanDerWaalsContact O-CB 3.28Å; T109-S131 WeakPolarHBondContact O-CB 3.49Å; T109-S131 PolarHBondContact O-OG 3.06Å; A129-S131 PolarHBondContact O-N 3.36Å; S131-D133 PolarHBondContact OG-N 3.17Å; S131-D133 PolarHBondContact OG-OD1 2.78Å; S131-D133 VanDerWaalsContact OG-OD1 3.04Å; S131-A134 VanDerWaalsContact OG-CB 3.3Å; S131-A134 WeakPolarHBondContact OG-CB 3.46Å; S131-A134 PolarHBondContact OG-N 2.78Å
132E93.3Very high97.9Very high137 Ų13726.5 Ų26.564%0.6415%0.145SC*.SBendtrans-69.9-37.6173.8-71.3177.8-168.300111.1K110K110-E132 WeakPolarHBondContact CE-OE2 3.44Å; K110-E132 IonicContact NZ-OE1 3.55Å; K110-E132 IonicContact NZ-OE2 3.93Å; K110-E132 PolarHBondContact NZ-OE2 3.42Å
133D96.6Very high97.9Very high77 Ų7727.8 Ų27.841%0.41215%0.15SC..SBendtrans-124.7-23.1-167.256.1-3000114.5K110 M111 S131K110-D133 WeakPolarHBondContact CA-OD1 3.4Å; M111-D133 HydrophobicContact CG-CB 4.4Å; M111-D133 PolarHBondContact N-OD1 2.84Å; M111-D133 PolarHBondContact N-OD2 3.46Å; M111-D133 HydrophobicContact SD-CB 4.47Å; M111-D133 VanDerWaalsContact SD-O 3.41Å; S131-D133 PolarHBondContact OG-N 3.17Å; S131-D133 PolarHBondContact OG-OD1 2.78Å; S131-D133 VanDerWaalsContact OG-OD1 3.04Å
134A97.9Very high97.8Very high5 Ų527 Ų274%0.04115%0.154CC..SBendtrans-77.5143.2175.800000112.2M111 I127 S131 M136 I153M111-A134 HydrophobicContact CG-CB 3.65Å; M111-A134 HydrophobicContact SD-CB 4.39Å; I127-A134 HydrophobicContact CD1-CB 4.01Å; S131-A134 VanDerWaalsContact OG-CB 3.3Å; S131-A134 WeakPolarHBondContact OG-CB 3.46Å; S131-A134 PolarHBondContact OG-N 2.78Å; A134-M136 PolarHBondContact O-N 2.91Å; A134-I153 HydrophobicContact CB-CG2 4.3Å
135P97.9Very high97.8Very high31 Ų3130.1 Ų30.120%0.20117%0.174CC..PPolyproline II helixtrans-58.9129.8173.824.6-34000110.8Y151 I153 V154 S155P135-Y151 HydrophobicContact CB-CD1 4.44Å; P135-Y151 HydrophobicContact CB-CD2 4.05Å; P135-Y151 HydrophobicContact CB-CE1 4.06Å; P135-Y151 HydrophobicContact CB-CE2 3.65Å; P135-Y151 HydrophobicContact CB-CG 4.46Å; P135-Y151 HydrophobicContact CG-CD1 3.81Å; P135-Y151 HydrophobicContact CG-CD2 3.83Å; P135-Y151 HydrophobicContact CG-CE1 3.88Å; P135-Y151 HydrophobicContact CG-CE2 3.92Å; P135-Y151 HydrophobicContact CG-CG 3.8Å; P135-I153 WeakPolarHBondContact CD-O 3.45Å; P135-V154 HydrophobicContact CG-CG1 4.2Å; P135-V154 WeakPolarHBondContact O-CA 3.41Å; P135-S155 PolarHBondContact O-N 3.43Å
136M98.4Very high97.8Very high16 Ų1630.8 Ų30.88%0.07918%0.177CC..BIsolated β-bridgetrans-94.1130.7177.5-78.3-172.4-70.500110.8P130 A134 N142 S155 A157 A223 K226 V227P130-M136 HydrophobicContact CB-SD 4.15Å; A134-M136 PolarHBondContact O-N 2.91Å; M136-N142 PolarHBondContact O-ND2 2.89Å; M136-S155 CarbonylContact C-O 3.55Å; M136-S155 WeakPolarHBondContact CA-O 3.46Å; M136-S155 WeakPolarHBondContact CG-OG 3.49Å; M136-A157 HydrophobicContact CB-CB 4.38Å; M136-A157 HydrophobicContact CG-CB 4.35Å; M136-A157 HydrophobicContact SD-CB 3.94Å; M136-A223 HydrophobicContact CE-CB 3.86Å; M136-A223 HydrophobicContact SD-CB 4.33Å; M136-K226 HydrophobicContact CE-CB 4.28Å; M136-K226 HydrophobicContact CE-CD 3.27Å; M136-K226 HydrophobicContact CE-CG 4.37Å; M136-V227 HydrophobicContact CB-CG1 4.13Å
137L98.7Very high97.8Very high1 Ų133.6 Ų33.61%0.00519%0.192CC..  trans-122.1135.7178.1-60.2175.6000109.6N142 Y146 Y151 V154 S155 L335L137-N142 WeakPolarHBondContact CA-OD1 3.38Å; L137-Y146 HydrophobicContact CD1-CD2 3.94Å; L137-Y146 HydrophobicContact CD1-CG 4.36Å; L137-Y151 HydrophobicContact CD1-CD2 4.49Å; L137-Y151 HydrophobicContact CD2-CE2 4.48Å; L137-V154 HydrophobicContact CD1-CB 4.28Å; L137-V154 HydrophobicContact CD1-CG1 4.03Å; L137-S155 PolarHBondContact N-O 3.07Å; L137-L335 HydrophobicContact CB-CD1 4.01Å; L137-L335 HydrophobicContact CB-CD2 4.33Å; L137-L335 HydrophobicContact CD1-CD1 3.91Å
138V98.8Very high97.7Very high0 Ų035.7 Ų35.70%021%0.205CC..  trans-123.6124.1172.4174.60000107.9V141 N142 H143 A157 T161 A165 V227V138-V141 HydrophobicContact CB-CB 4.04Å; V138-V141 HydrophobicContact CB-CG2 4.23Å; V138-V141 HydrophobicContact CG1-CB 4.01Å; V138-V141 HydrophobicContact CG1-CG2 3.64Å; V138-V141 PolarHBondContact O-N 3.31Å; V138-N142 PolarHBondContact N-OD1 3.35Å; V138-N142 PolarHBondContact O-N 2.79Å; V138-N142 VanDerWaalsContact O-N 3.08Å; V138-H143 PolarHBondContact O-N 2.99Å; V138-A157 HydrophobicContact CG2-CB 3.98Å; V138-T161 HydrophobicContact CG2-CG2 4.19Å; V138-A165 HydrophobicContact CG1-CB 4.36Å; V138-V227 HydrophobicContact CG2-CG1 4.13Å; V138-V227 HydrophobicContact CG2-CG2 4.4Å
139M98.8Very high97.6Very high17 Ų1743.2 Ų43.28%0.08424%0.239CC..THydrogen-bonded Turntrans-58.6141.1177.3-63-55.2-64.300110.5V141 H143 I281 D334 L335 Y338M139-V141 PolarHBondContact O-N 3.43Å; M139-V141 VanDerWaalsContact O-N 3.14Å; M139-H143 HydrophobicContact CE-CB 4.21Å; M139-H143 HydrophobicContact SD-CB 3.54Å; M139-H143 VanDerWaalsContact SD-CB 3.54Å; M139-I281 HydrophobicContact CB-CD1 4.1Å; M139-D334 HydrophobicContact CE-CB 4.14Å; M139-D334 HydrophobicContact CG-CB 3.95Å; M139-D334 HydrophobicContact SD-CB 4.47Å; M139-L335 HydrophobicContact CG-CB 4.42Å; M139-L335 HydrophobicContact SD-CB 3.99Å; M139-L335 HydrophobicContact SD-CD1 3.94Å; M139-Y338 HydrophobicContact CE-CG 4.31Å
140G98.1Very high97.5Very high7 Ų745.2 Ų45.27%0.07225%0.251CS..THydrogen-bonded Turntrans75.4-19.5-172.700000115.1H143 W278 I281G140-H143 PolarHBondContact N-CE1 3.48Å; G140-H143 PolarHBondContact N-ND1 3.35Å; G140-W278 VanDerWaalsContact O-CH2 3.25Å; G140-W278 WeakPolarHBondContact O-CH2 3.15Å; G140-W278 WeakPolarHBondContact O-CZ3 3.5Å; G140-I281 VanDerWaalsContact CA-CD1 3.48Å
141V98.7Very high97.6Very high17 Ų1745.5 Ų45.510%0.10325%0.245CC..THydrogen-bonded Turntrans-102.4-66.4-175.2-178.40000112V138 M139 A165 P166 K169 V227 I228 W278V138-V141 HydrophobicContact CB-CB 4.04Å; V138-V141 HydrophobicContact CB-CG2 4.23Å; V138-V141 HydrophobicContact CG1-CB 4.01Å; V138-V141 HydrophobicContact CG1-CG2 3.64Å; V138-V141 PolarHBondContact O-N 3.31Å; M139-V141 PolarHBondContact O-N 3.43Å; M139-V141 VanDerWaalsContact O-N 3.14Å; V141-A165 HydrophobicContact CG1-CB 4.33Å; V141-A165 HydrophobicContact CG2-CB 3.94Å; V141-P166 HydrophobicContact CG2-CG 4.01Å; V141-K169 HydrophobicContact CG1-CD 4.15Å; V141-V227 HydrophobicContact CG1-CB 4.37Å; V141-V227 HydrophobicContact CG1-CG2 4.23Å; V141-I228 HydrophobicContact CG1-CD1 3.8Å; V141-I228 HydrophobicContact CG1-CG1 3.41Å; V141-I228 VanDerWaalsContact CG1-CG1 3.41Å; V141-W278 HydrophobicContact CG2-CH2 4.07Å; V141-W278 HydrophobicContact CG2-CZ3 4.17Å
142N98.5Very high97.7Very high14 Ų1448.3 Ų48.38%0.07526%0.26CS..THydrogen-bonded Turntrans-1378.4-175.777.8-37.9000113.8M136 L137 V138 T144 T145 V227M136-N142 PolarHBondContact O-ND2 2.89Å; L137-N142 WeakPolarHBondContact CA-OD1 3.38Å; V138-N142 PolarHBondContact N-OD1 3.35Å; V138-N142 PolarHBondContact O-N 2.79Å; V138-N142 VanDerWaalsContact O-N 3.08Å; N142-T144 PolarHBondContact O-N 3.1Å; N142-T145 HydrophobicContact CB-CG2 4.24Å; N142-T145 WeakPolarHBondContact O-CB 3.21Å; N142-T145 WeakPolarHBondContact O-CG2 3.31Å; N142-T145 PolarHBondContact O-N 3.42Å; N142-T145 PolarHBondContact O-OG1 3.44Å; N142-V227 HydrophobicContact CB-CB 4.41Å; N142-V227 VanDerWaalsContact CB-O 3.31Å; N142-V227 WeakPolarHBondContact CB-O 3.41Å
143H98.4Very high97.9Very high35 Ų3542.2 Ų42.216%0.16223%0.231CC..G310 helixtrans-49.8-27.9174.565.3-66.3000113.8V138 M139 G140 T145 Y146 Y338V138-H143 PolarHBondContact O-N 2.99Å; M139-H143 HydrophobicContact CE-CB 4.21Å; M139-H143 HydrophobicContact SD-CB 3.54Å; M139-H143 VanDerWaalsContact SD-CB 3.54Å; G140-H143 PolarHBondContact N-CE1 3.48Å; G140-H143 PolarHBondContact N-ND1 3.35Å; H143-T145 PolarHBondContact O-N 3.33Å; H143-Y146 VanDerWaalsContact O-CB 3.25Å; H143-Y146 WeakPolarHBondContact O-CB 3.49Å; H143-Y146 PolarHBondContact O-N 3.32Å; H143-Y146 VanDerWaalsContact O-N 3.17Å; H143-Y338 AromaticContact CD2-CD2 3.72Å; H143-Y338 AromaticContact CD2-CE2 3.64Å; H143-Y338 AromaticContact CD2-CZ 3.94Å; H143-Y338 WeakPolarHBondContact O-CE1 3.5Å
144T97.9Very high98Very high92 Ų9238.6 Ų38.656%0.56421%0.212SC*.G310 helixtrans-68.5-11174.353.20000115.4N142 Y146 Y338N142-T144 PolarHBondContact O-N 3.1Å; T144-Y146 VanDerWaalsContact C-N 3.27Å; T144-Y338 WeakPolarHBondContact CA-OH 3.43Å
145T98Very high98.1Very high77 Ų7738.3 Ų38.347%0.47221%0.21SC..G310 helixtrans-85.21.3172.668.30000113N142 H143 D147N142-T145 HydrophobicContact CB-CG2 4.24Å; N142-T145 WeakPolarHBondContact O-CB 3.21Å; N142-T145 WeakPolarHBondContact O-CG2 3.31Å; N142-T145 PolarHBondContact O-N 3.42Å; N142-T145 PolarHBondContact O-OG1 3.44Å; H143-T145 PolarHBondContact O-N 3.33Å; T145-D147 PolarHBondContact O-N 2.62Å
146Y98.5Very high98.1Very high14 Ų1436.9 Ų36.96%0.05520%0.2CC..  trans-58.9126.2173.7173.8-112.9000111.1K124 L137 H143 T144 P148 Y151 V154 Y338 M339 R342 D343K124-Y146 WeakPolarHBondContact CE-OH 3.27Å; K124-Y146 PolarHBondContact NZ-OH 2.73Å; L137-Y146 HydrophobicContact CD1-CD2 3.94Å; L137-Y146 HydrophobicContact CD1-CG 4.36Å; H143-Y146 VanDerWaalsContact O-CB 3.25Å; H143-Y146 WeakPolarHBondContact O-CB 3.49Å; H143-Y146 PolarHBondContact O-N 3.32Å; H143-Y146 VanDerWaalsContact O-N 3.17Å; T144-Y146 VanDerWaalsContact C-N 3.27Å; Y146-P148 HydrophobicContact CD1-CG 4.21Å; Y146-P148 HydrophobicContact CE1-CB 4.27Å; Y146-P148 HydrophobicContact CE1-CG 3.81Å; Y146-Y151 AromaticContact CD2-CD2 3.9Å; Y146-Y151 HydrophobicContact CD2-CD2 3.9Å; Y146-Y151 HydrophobicContact CD2-CG 4.3Å; Y146-Y151 WeakPolarHBondContact CE2-O 3.26Å; Y146-V154 HydrophobicContact CD2-CG1 4.33Å; Y146-V154 HydrophobicContact CE2-CG1 4.35Å; Y146-Y338 HydrophobicContact CD1-CE1 4.4Å; Y146-M339 HydrophobicContact CD1-CB 4.48Å; Y146-M339 HydrophobicContact CD1-CG 4.16Å; Y146-M339 HydrophobicContact CD2-CG 3.96Å; Y146-M339 HydrophobicContact CE1-CB 3.91Å; Y146-M339 HydrophobicContact CE1-CG 3.93Å; Y146-M339 HydrophobicContact CE2-CB 4.41Å; Y146-M339 HydrophobicContact CE2-CE 3.64Å; Y146-M339 HydrophobicContact CE2-CG 3.75Å; Y146-M339 HydrophobicContact CE2-SD 4.26Å; Y146-M339 HydrophobicContact CG-CG 4.19Å; Y146-R342 HydrophobicContact CD1-CB 3.94Å; Y146-R342 HydrophobicContact CD1-CG 4.27Å; Y146-R342 HydrophobicContact CE1-CB 3.94Å; Y146-D343 WeakPolarHBondContact CE1-OD1 3.43Å; Y146-D343 PolarHBondContact OH-OD1 2.99Å; Y146-D343 PolarHBondContact OH-OD2 3.33Å
147D98Very high98.1Very high58 Ų5836.1 Ų36.131%0.3120%0.196SC..  trans-106.5108.2173.2173.612.1000110.6T145 Q149 S150 Y151T145-D147 PolarHBondContact O-N 2.62Å; D147-Q149 PolarHBondContact O-N 3.42Å; D147-Q149 VanDerWaalsContact O-N 3.08Å; D147-Q149 WeakPolarHBondContact OD1-CB 2.94Å; D147-Q149 PolarHBondContact OD1-N 3Å; D147-S150 VanDerWaalsContact CG-OG 3.3Å; D147-S150 PolarHBondContact O-N 2.97Å; D147-S150 WeakPolarHBondContact OD2-CB 3.46Å; D147-S150 PolarHBondContact OD2-N 3.32Å; D147-S150 PolarHBondContact OD2-OG 2.94Å; D147-Y151 HydrophobicContact CB-CD1 4.3Å; D147-Y151 HydrophobicContact CB-CG 4.36Å; D147-Y151 VanDerWaalsContact O-CB 3.24Å; D147-Y151 WeakPolarHBondContact O-CB 3.31Å; D147-Y151 PolarHBondContact O-N 3.1Å
148P97.4Very high98.1Very high45 Ų4536.9 Ų36.929%0.29220%0.202SC..THydrogen-bonded Turntrans-51.9-30177.2-29.836.9000115.1K124 Y146 R342 D343K124-P148 PolarHBondContact NZ-O 3.41Å; Y146-P148 HydrophobicContact CD1-CG 4.21Å; Y146-P148 HydrophobicContact CE1-CB 4.27Å; Y146-P148 HydrophobicContact CE1-CG 3.81Å; P148-R342 HydrophobicContact CG-CB 3.91Å; P148-R342 WeakPolarHBondContact CG-O 3.43Å; P148-D343 WeakPolarHBondContact CB-OD1 3.26Å
149Q96.3Very high98.1Very high176 Ų17638 Ų3882%0.82221%0.21SC*.THydrogen-bonded Turntrans-80.8-38.9-173.9-61-174.2-0.200112.5D147D147-Q149 PolarHBondContact O-N 3.42Å; D147-Q149 VanDerWaalsContact O-N 3.08Å; D147-Q149 WeakPolarHBondContact OD1-CB 2.94Å; D147-Q149 PolarHBondContact OD1-N 3Å
150S95.7Very high98.1Very high66 Ų6637.5 Ų37.546%0.46221%0.207SC..THydrogen-bonded Turntrans-106.5-26.4-174.566.70000113.8D147 N152D147-S150 VanDerWaalsContact CG-OG 3.3Å; D147-S150 PolarHBondContact O-N 2.97Å; D147-S150 WeakPolarHBondContact OD2-CB 3.46Å; D147-S150 PolarHBondContact OD2-N 3.32Å; D147-S150 PolarHBondContact OD2-OG 2.94Å; S150-N152 VanDerWaalsContact C-N 3.31Å; S150-N152 PolarHBondContact O-N 3.23Å
151Y97.5Very high98.1Very high66 Ų6637.1 Ų37.126%0.25920%0.204SC..  trans-89.664.7-173.2-7111.2000111.7K124 P135 L137 Y146 D147 I153 V154K124-Y151 PolarHBondContact NZ-O 3.43Å; P135-Y151 HydrophobicContact CB-CD1 4.44Å; P135-Y151 HydrophobicContact CB-CD2 4.05Å; P135-Y151 HydrophobicContact CB-CE1 4.06Å; P135-Y151 HydrophobicContact CB-CE2 3.65Å; P135-Y151 HydrophobicContact CB-CG 4.46Å; P135-Y151 HydrophobicContact CG-CD1 3.81Å; P135-Y151 HydrophobicContact CG-CD2 3.83Å; P135-Y151 HydrophobicContact CG-CE1 3.88Å; P135-Y151 HydrophobicContact CG-CE2 3.92Å; P135-Y151 HydrophobicContact CG-CG 3.8Å; L137-Y151 HydrophobicContact CD1-CD2 4.49Å; L137-Y151 HydrophobicContact CD2-CE2 4.48Å; Y146-Y151 AromaticContact CD2-CD2 3.9Å; Y146-Y151 HydrophobicContact CD2-CD2 3.9Å; Y146-Y151 HydrophobicContact CD2-CG 4.3Å; Y146-Y151 WeakPolarHBondContact CE2-O 3.26Å; D147-Y151 HydrophobicContact CB-CD1 4.3Å; D147-Y151 HydrophobicContact CB-CG 4.36Å; D147-Y151 VanDerWaalsContact O-CB 3.24Å; D147-Y151 WeakPolarHBondContact O-CB 3.31Å; D147-Y151 PolarHBondContact O-N 3.1Å; Y151-I153 VanDerWaalsContact C-N 3.3Å; Y151-V154 HydrophobicContact CD2-CG1 4.14Å; Y151-V154 HydrophobicContact CG-CG1 4.25Å
152N98Very high98.1Very high64 Ų6436.5 Ų36.534%0.34220%0.2SC..SBendtrans-76.5-21.3173.6-62.1-32.5000112.9M118 K124 V125 S150M118-N152 HydrophobicContact CE-CB 3.51Å; K124-N152 CarbonylContact C-O 3.52Å; K124-N152 VanDerWaalsContact CA-O 3.31Å; K124-N152 WeakPolarHBondContact CA-O 3.48Å; K124-N152 HydrophobicContact CD-CB 4.48Å; K124-N152 PolarHBondContact NZ-OD1 3.14Å; V125-N152 PolarHBondContact N-O 3.18Å; S150-N152 VanDerWaalsContact C-N 3.31Å; S150-N152 PolarHBondContact O-N 3.23Å
153I98.7Very high98.1Very high9 Ų935.8 Ų35.85%0.04620%0.196CC..EExtended strand (participates in β ladder)trans-130.6120.3175.3-54.3176.3000106.9M111 A114 K115 M118 V125 I127 A134 P135 Y151M111-I153 HydrophobicContact CG-CG2 4.45Å; M111-I153 WeakPolarHBondContact O-CD1 3.39Å; A114-I153 HydrophobicContact CB-CD1 4.27Å; A114-I153 HydrophobicContact CB-CG2 3.82Å; K115-I153 HydrophobicContact CB-CD1 3.78Å; K115-I153 HydrophobicContact CG-CD1 4.45Å; M118-I153 HydrophobicContact CE-CD1 3.95Å; M118-I153 HydrophobicContact CE-CG1 3.51Å; V125-I153 HydrophobicContact CB-CG1 4.25Å; V125-I153 HydrophobicContact CB-CG2 4.3Å; V125-I153 HydrophobicContact CG2-CG1 4.48Å; V125-I153 WeakPolarHBondContact O-CA 3.31Å; I127-I153 HydrophobicContact CD1-CG2 3.81Å; I127-I153 HydrophobicContact CG1-CG2 4.25Å; A134-I153 HydrophobicContact CB-CG2 4.3Å; P135-I153 WeakPolarHBondContact CD-O 3.45Å; Y151-I153 VanDerWaalsContact C-N 3.3Å
154V98.7Very high98.2Very high0 Ų034.1 Ų34.10%019%0.189CC..EExtended strand (participates in β ladder)trans-126.7163.5178-58.50000109.9V125 I126 I127 P135 L137 Y146 Y151 L335 M339V125-V154 PolarHBondContact O-N 2.84Å; I126-V154 HydrophobicContact CB-CG2 4.45Å; I126-V154 HydrophobicContact CG1-CG2 4.05Å; I126-V154 HydrophobicContact CG2-CG2 4.42Å; I127-V154 PolarHBondContact N-O 2.87Å; P135-V154 HydrophobicContact CG-CG1 4.2Å; P135-V154 WeakPolarHBondContact O-CA 3.41Å; L137-V154 HydrophobicContact CD1-CB 4.28Å; L137-V154 HydrophobicContact CD1-CG1 4.03Å; Y146-V154 HydrophobicContact CD2-CG1 4.33Å; Y146-V154 HydrophobicContact CE2-CG1 4.35Å; Y151-V154 HydrophobicContact CD2-CG1 4.14Å; Y151-V154 HydrophobicContact CG-CG1 4.25Å; V154-L335 HydrophobicContact CG2-CD2 4.16Å; V154-M339 HydrophobicContact CG1-CE 4.48Å; V154-M339 HydrophobicContact CG2-CE 4.02Å; V154-M339 HydrophobicContact CG2-SD 3.77Å
155S98.7Very high98.2Very high0 Ų029.8 Ų29.80%016%0.162CC..EExtended strand (participates in β ladder)trans-115.8136.6169.8161.80000109.7I127 A129 P135 M136 L137 A157I127-S155 WeakPolarHBondContact O-CA 3.28Å; A129-S155 PolarHBondContact O-OG 2.88Å; P135-S155 PolarHBondContact O-N 3.43Å; M136-S155 CarbonylContact C-O 3.55Å; M136-S155 WeakPolarHBondContact CA-O 3.46Å; M136-S155 WeakPolarHBondContact CG-OG 3.49Å; L137-S155 PolarHBondContact N-O 3.07Å; S155-A157 PolarHBondContact O-N 3.34Å; S155-A157 PolarHBondContact OG-N 3.07Å
156N98.8Very high98.2Very high0 Ų026.1 Ų26.10%014%0.139CC..  trans-82.122171.4-167.950.5000112.1I126 I127 N162 Y328 V332 L335I126-N156 HydrophobicContact CG2-CB 4.18Å; I127-N156 PolarHBondContact O-N 3.34Å; N156-N162 PolarHBondContact O-ND2 2.63Å; N156-Y328 HydrophobicContact CB-CE2 4.47Å; N156-Y328 WeakPolarHBondContact ND2-CE2 3.29Å; N156-Y328 WeakPolarHBondContact O-CE2 3.17Å; N156-V332 HydrophobicContact CB-CG2 4.29Å; N156-V332 WeakPolarHBondContact ND2-CG2 3.37Å; N156-L335 HydrophobicContact CB-CD2 3.97Å
157A98.4Very high98.3Very high0 Ų025.4 Ų25.40%014%0.137CC..  trans53.4-149.9-173.400000112.8A129 M136 V138 S155 T161 Y328A129-A157 CarbonylContact C-O 3.54Å; A129-A157 WeakPolarHBondContact CA-O 3.49Å; M136-A157 HydrophobicContact CB-CB 4.38Å; M136-A157 HydrophobicContact CG-CB 4.35Å; M136-A157 HydrophobicContact SD-CB 3.94Å; V138-A157 HydrophobicContact CG2-CB 3.98Å; S155-A157 PolarHBondContact O-N 3.34Å; S155-A157 PolarHBondContact OG-N 3.07Å; A157-T161 HydrophobicContact CB-CG2 3.93Å; A157-Y328 PolarHBondContact O-OH 3.11Å
158S98.4Very high98.3Very high17 Ų1722.7 Ų22.712%0.11912%0.122CC..  trans-105.9164174.368.80000111.9T160 T161 N162 A220S158-T160 VanDerWaalsContact C-N 3.34Å; S158-T160 PolarHBondContact O-N 3.35Å; S158-T161 PolarHBondContact O-N 3.21Å; S158-T161 WeakPolarHBondContact OG-CB 3.48Å; S158-T161 PolarHBondContact OG-N 3.36Å; S158-T161 PolarHBondContact OG-OG1 3.47Å; S158-N162 PolarHBondContact O-N 2.87Å; S158-N162 PolarHBondContact O-ND2 2.99Å; S158-A220 WeakPolarHBondContact OG-CB 3.39Å
159C98.4Very high98.4Very high25 Ų2522.3 Ų22.317%0.16912%0.116CC..Hα-helixtrans-53.2-48.5168.5510000112.1T161 N162 C163 H186 Y322 N324 Y328C159-T161 VanDerWaalsContact C-N 3.33Å; C159-T161 PolarHBondContact O-N 2.94Å; C159-N162 PolarHBondContact O-N 2.85Å; C159-N162 VanDerWaalsContact O-N 3.12Å; C159-C163 PolarHBondContact O-N 3.25Å; C159-H186 PolarHBondContact SG-NE2 2.87Å; C159-H186 VanDerWaalsContact SG-NE2 3.43Å; C159-Y322 HydrophobicContact CB-CD2 4.17Å; C159-Y322 HydrophobicContact CB-CE2 3.86Å; C159-N324 HydrophobicContact CB-CB 3.9Å; C159-N324 WeakPolarHBondContact CB-O 3.49Å; C159-Y328 HydrophobicContact CB-CD2 4.12Å; C159-Y328 HydrophobicContact CB-CG 4.29Å
160T98.7Very high98.5Very high5 Ų514.5 Ų14.53%0.0318%0.08CC..Hα-helixtrans-61.9-37.6177.2-51.70000112.6S158 C163 L164 M182 T184 A220 V250 Y322S158-T160 VanDerWaalsContact C-N 3.34Å; S158-T160 PolarHBondContact O-N 3.35Å; T160-C163 PolarHBondContact O-N 2.98Å; T160-L164 WeakPolarHBondContact O-CB 3.32Å; T160-L164 PolarHBondContact O-N 3.39Å; T160-M182 HydrophobicContact CG2-CE 3.73Å; T160-M182 HydrophobicContact CG2-SD 4.04Å; T160-T184 HydrophobicContact CG2-CG2 3.89Å; T160-A220 HydrophobicContact CG2-CB 3.72Å; T160-V250 HydrophobicContact CG2-CG2 4.05Å; T160-Y322 PolarHBondContact OG1-OH 2.95Å
161T98.7Very high98.6Very high0 Ų011.3 Ų11.30%06%0.058CC..Hα-helixtrans-67.8-38.6175.1-53.50000111.3V138 A157 S158 C159 C163 L164 A165 A220 A223 V224 V227V138-T161 HydrophobicContact CG2-CG2 4.19Å; A157-T161 HydrophobicContact CB-CG2 3.93Å; S158-T161 PolarHBondContact O-N 3.21Å; S158-T161 WeakPolarHBondContact OG-CB 3.48Å; S158-T161 PolarHBondContact OG-N 3.36Å; S158-T161 PolarHBondContact OG-OG1 3.47Å; C159-T161 VanDerWaalsContact C-N 3.33Å; C159-T161 PolarHBondContact O-N 2.94Å; T161-C163 VanDerWaalsContact C-N 3.26Å; T161-C163 PolarHBondContact O-N 3.06Å; T161-L164 PolarHBondContact O-N 3.07Å; T161-A165 HydrophobicContact CG2-CB 4.48Å; T161-A165 WeakPolarHBondContact O-CB 3.45Å; T161-A165 PolarHBondContact O-N 2.8Å; T161-A220 WeakPolarHBondContact OG1-CA 3.46Å; T161-A220 PolarHBondContact OG1-O 3.38Å; T161-A220 VanDerWaalsContact OG1-O 3.07Å; T161-A223 HydrophobicContact CG2-CB 4.18Å; T161-V224 HydrophobicContact CG2-CG2 4.25Å; T161-V227 HydrophobicContact CG2-CG2 4.47Å
162N98.9Very high98.7Very high3 Ų39.8 Ų9.82%0.0165%0.053CC..Hα-helixtrans-66.6-27.7175.6-82-95.9000112.3N156 S158 C159 P166 S300N156-N162 PolarHBondContact O-ND2 2.63Å; S158-N162 PolarHBondContact O-N 2.87Å; S158-N162 PolarHBondContact O-ND2 2.99Å; C159-N162 PolarHBondContact O-N 2.85Å; C159-N162 VanDerWaalsContact O-N 3.12Å; N162-P166 WeakPolarHBondContact O-CD 3.49Å; N162-P166 WeakPolarHBondContact O-CG 3.34Å; N162-S300 VanDerWaalsContact O-CB 3.23Å; N162-S300 WeakPolarHBondContact O-CB 3.2Å
163C98.9Very high98.7Very high0 Ų011.3 Ų11.30%06%0.061CC..Hα-helixtrans-76.4-52.8170.7179.70000112.1C159 T160 T161 P166 V250 S300 S301 Y322C159-C163 PolarHBondContact O-N 3.25Å; T160-C163 PolarHBondContact O-N 2.98Å; T161-C163 VanDerWaalsContact C-N 3.26Å; T161-C163 PolarHBondContact O-N 3.06Å; C163-P166 WeakPolarHBondContact O-CD 3.42Å; C163-V250 HydrophobicContact CB-CG2 4.11Å; C163-S300 WeakPolarHBondContact CA-O 3.41Å; C163-S300 WeakPolarHBondContact CB-O 3.29Å; C163-S301 WeakPolarHBondContact O-CB 3.29Å; C163-S301 PolarHBondContact O-OG 2.85Å; C163-Y322 HydrophobicContact CB-CD1 3.5Å; C163-Y322 HydrophobicContact CB-CD2 4.18Å; C163-Y322 HydrophobicContact CB-CE1 4.06Å; C163-Y322 HydrophobicContact CB-CG 3.57Å; C163-Y322 WeakPolarHBondContact SG-CD1 3.48Å
164L98.9Very high98.7Very high0 Ų013.5 Ų13.50%08%0.075CC..Hα-helixtrans-71.6-36.6-172.5178.863.7000113.4T160 T161 L167 A168 M182 A221 V224 V250 L252T160-L164 WeakPolarHBondContact O-CB 3.32Å; T160-L164 PolarHBondContact O-N 3.39Å; T161-L164 PolarHBondContact O-N 3.07Å; L164-L167 PolarHBondContact O-N 3.26Å; L164-A168 VanDerWaalsContact O-CB 3.23Å; L164-A168 WeakPolarHBondContact O-CB 3.48Å; L164-A168 PolarHBondContact O-N 3Å; L164-M182 HydrophobicContact CD1-CG 4.44Å; L164-M182 HydrophobicContact CD2-CB 4.1Å; L164-M182 HydrophobicContact CD2-CE 4.32Å; L164-M182 HydrophobicContact CD2-CG 4.01Å; L164-A221 HydrophobicContact CD2-CB 3.86Å; L164-V224 HydrophobicContact CB-CG2 4.19Å; L164-V224 HydrophobicContact CD2-CG2 3.62Å; L164-V224 HydrophobicContact CG-CG2 3.83Å; L164-V250 HydrophobicContact CB-CG1 4.48Å; L164-V250 HydrophobicContact CD1-CG1 3.9Å; L164-L252 HydrophobicContact CD1-CB 4.04Å; L164-L252 HydrophobicContact CD1-CD1 4.14Å; L164-L252 HydrophobicContact CD1-CD2 3.91Å; L164-L252 HydrophobicContact CD1-CG 4.24Å
165A98.8Very high98.7Very high0 Ų014.4 Ų14.40%08%0.079CC..Hα-helixtrans-67.3-44.1-172.200000113.6V138 V141 T161 A168 K169 V224 V227 I228V138-A165 HydrophobicContact CG1-CB 4.36Å; V141-A165 HydrophobicContact CG1-CB 4.33Å; V141-A165 HydrophobicContact CG2-CB 3.94Å; T161-A165 HydrophobicContact CG2-CB 4.48Å; T161-A165 WeakPolarHBondContact O-CB 3.45Å; T161-A165 PolarHBondContact O-N 2.8Å; A165-A168 PolarHBondContact O-N 2.84Å; A165-K169 VanDerWaalsContact O-CB 3.3Å; A165-K169 WeakPolarHBondContact O-CB 3.33Å; A165-K169 PolarHBondContact O-N 3.29Å; A165-V224 HydrophobicContact CB-CG1 4.29Å; A165-V224 HydrophobicContact CB-CG2 4.22Å; A165-V227 HydrophobicContact CB-CG2 3.97Å; A165-I228 HydrophobicContact CB-CD1 4.38Å; A165-I228 WeakPolarHBondContact O-CD1 3.4Å
166P98.8Very high98.7Very high0 Ų015.2 Ų15.20%09%0.087CC..Hα-helixtrans-57-49.1171.7-27.436.9000112.9V141 N162 C163 A168 K169 V170 W278 I281 I282V141-P166 HydrophobicContact CG2-CG 4.01Å; N162-P166 WeakPolarHBondContact O-CD 3.49Å; N162-P166 WeakPolarHBondContact O-CG 3.34Å; C163-P166 WeakPolarHBondContact O-CD 3.42Å; P166-A168 PolarHBondContact O-N 3.33Å; P166-K169 PolarHBondContact O-N 3.28Å; P166-V170 WeakPolarHBondContact O-CG2 3.4Å; P166-V170 PolarHBondContact O-N 2.9Å; P166-V170 VanDerWaalsContact O-N 3.1Å; P166-W278 HydrophobicContact CB-CE3 4.18Å; P166-W278 HydrophobicContact CB-CH2 4.15Å; P166-W278 HydrophobicContact CB-CZ3 3.58Å; P166-W278 HydrophobicContact CG-CZ3 4.11Å; P166-I281 HydrophobicContact CB-CG2 4.25Å; P166-I281 HydrophobicContact CG-CG2 3.88Å; P166-I282 HydrophobicContact CB-CD1 3.75Å; P166-I282 HydrophobicContact CB-CG1 3.71Å
167L98.9Very high98.7Very high0 Ų015.3 Ų15.30%09%0.087CC..Hα-helixtrans-56.1-52.7175.8174.262.3000111.2L164 K169 V170 I171 L252 M269 F303 L318L164-L167 PolarHBondContact O-N 3.26Å; L167-K169 VanDerWaalsContact C-N 3.31Å; L167-K169 PolarHBondContact O-N 3.05Å; L167-V170 PolarHBondContact O-N 3.22Å; L167-I171 HydrophobicContact CD1-CG1 4.13Å; L167-I171 VanDerWaalsContact O-CG1 3.26Å; L167-I171 WeakPolarHBondContact O-CG1 3.42Å; L167-I171 PolarHBondContact O-N 2.9Å; L167-I171 VanDerWaalsContact O-N 3.14Å; L167-L252 HydrophobicContact CD2-CB 4.34Å; L167-L252 HydrophobicContact CD2-CD2 4.36Å; L167-M269 HydrophobicContact CD1-CE 3.7Å; L167-M269 HydrophobicContact CD1-SD 3.77Å; L167-F303 HydrophobicContact CD1-CD2 3.89Å; L167-F303 HydrophobicContact CD1-CE2 4.27Å; L167-L318 HydrophobicContact CD1-CD1 4.23Å; L167-L318 HydrophobicContact CD2-CB 4.23Å
168A98.8Very high98.8Very high0 Ų017 Ų170%010%0.098CC..Hα-helixtrans-63.2-36.7-178.700000112.3L164 A165 P166 H172 I177 V224 L231 L235L164-A168 VanDerWaalsContact O-CB 3.23Å; L164-A168 WeakPolarHBondContact O-CB 3.48Å; L164-A168 PolarHBondContact O-N 3Å; A165-A168 PolarHBondContact O-N 2.84Å; P166-A168 PolarHBondContact O-N 3.33Å; A168-H172 WeakPolarHBondContact O-CB 3.34Å; A168-H172 PolarHBondContact O-N 3.02Å; A168-I177 HydrophobicContact CB-CD1 4.28Å; A168-V224 HydrophobicContact CB-CG1 4.16Å; A168-L231 HydrophobicContact CB-CD1 3.92Å; A168-L235 HydrophobicContact CB-CD1 4.04Å
169K98.8Very high98.8Very high38 Ų3821 Ų2117%0.16511%0.114CC..Hα-helixtrans-63-52.6177.5179.3160.7161.352.60111.3V141 A165 P166 L167 I171 H172 D173 I228 W278V141-K169 HydrophobicContact CG1-CD 4.15Å; A165-K169 VanDerWaalsContact O-CB 3.3Å; A165-K169 WeakPolarHBondContact O-CB 3.33Å; A165-K169 PolarHBondContact O-N 3.29Å; P166-K169 PolarHBondContact O-N 3.28Å; L167-K169 VanDerWaalsContact C-N 3.31Å; L167-K169 PolarHBondContact O-N 3.05Å; K169-I171 VanDerWaalsContact C-N 3.32Å; K169-I171 PolarHBondContact O-N 3.23Å; K169-H172 PolarHBondContact O-N 2.99Å; K169-D173 WeakPolarHBondContact CG-OD2 3.41Å; K169-D173 IonicContact NZ-OD1 3Å; K169-D173 IonicContact NZ-OD2 3.39Å; K169-D173 PolarHBondContact NZ-OD2 3.18Å; K169-D173 WeakPolarHBondContact O-CB 3.24Å; K169-D173 PolarHBondContact O-N 2.76Å; K169-I228 HydrophobicContact CB-CD1 3.72Å; K169-W278 HydrophobicContact CB-CH2 4.17Å; K169-W278 HydrophobicContact CB-CZ2 4.34Å; K169-W278 HydrophobicContact CD-CH2 3.83Å; K169-W278 HydrophobicContact CD-CZ2 3.91Å; K169-W278 HydrophobicContact CG-CH2 4.18Å; K169-W278 HydrophobicContact CG-CZ2 4.03Å
170V98.8Very high98.8Very high11 Ų1120.2 Ų20.27%0.06711%0.11CC..Hα-helixtrans-58.2-45.3-179.41720000111.4P166 L167 T174 T268 M269 A272 W278 I282P166-V170 WeakPolarHBondContact O-CG2 3.4Å; P166-V170 PolarHBondContact O-N 2.9Å; P166-V170 VanDerWaalsContact O-N 3.1Å; L167-V170 PolarHBondContact O-N 3.22Å; V170-T174 PolarHBondContact O-N 3.38Å; V170-T174 PolarHBondContact O-OG1 3.25Å; V170-T268 HydrophobicContact CG1-CG2 3.73Å; V170-M269 HydrophobicContact CB-SD 3.94Å; V170-M269 HydrophobicContact CG1-SD 3.55Å; V170-M269 VanDerWaalsContact CG1-SD 3.55Å; V170-A272 HydrophobicContact CB-CB 4.44Å; V170-A272 HydrophobicContact CG1-CB 3.83Å; V170-A272 HydrophobicContact CG2-CB 3.72Å; V170-W278 HydrophobicContact CG2-CZ2 3.9Å; V170-I282 HydrophobicContact CG2-CD1 3.75Å
171I98.8Very high98.8Very high0 Ų025.3 Ų25.30%014%0.137CC..Hα-helixtrans-68.1-43.3179.3-62-63.4000111.5L167 K169 T174 Y175 I177 L256 I265 M269 L318L167-I171 HydrophobicContact CD1-CG1 4.13Å; L167-I171 VanDerWaalsContact O-CG1 3.26Å; L167-I171 WeakPolarHBondContact O-CG1 3.42Å; L167-I171 PolarHBondContact O-N 2.9Å; L167-I171 VanDerWaalsContact O-N 3.14Å; K169-I171 VanDerWaalsContact C-N 3.32Å; K169-I171 PolarHBondContact O-N 3.23Å; I171-T174 PolarHBondContact O-N 3.24Å; I171-Y175 HydrophobicContact CD1-CD2 4.46Å; I171-Y175 HydrophobicContact CD1-CE2 4.48Å; I171-Y175 HydrophobicContact CG2-CD2 4.37Å; I171-Y175 PolarHBondContact O-N 3.4Å; I171-I177 HydrophobicContact CB-CD1 4.34Å; I171-I177 HydrophobicContact CG2-CD1 4.08Å; I171-I177 HydrophobicContact CG2-CG1 3.96Å; I171-L256 HydrophobicContact CG2-CD2 3.62Å; I171-I265 HydrophobicContact CD1-CG2 3.76Å; I171-M269 HydrophobicContact CD1-CG 4.34Å; I171-M269 HydrophobicContact CD1-SD 3.99Å; I171-M269 HydrophobicContact CG1-SD 4.26Å; I171-L318 HydrophobicContact CD1-CD1 3.8Å; I171-L318 HydrophobicContact CG1-CD1 3.68Å; I171-L318 HydrophobicContact CG2-CD1 4.42Å
172H98.8Very high98.8Very high34 Ų3425.4 Ų25.416%0.15714%0.137CC..Hα-helixtrans-65.9-44.8-179.9-175.276.6000112.3A168 K169 T174 G176 I177 L231A168-H172 WeakPolarHBondContact O-CB 3.34Å; A168-H172 PolarHBondContact O-N 3.02Å; K169-H172 PolarHBondContact O-N 2.99Å; H172-T174 PolarHBondContact O-N 3.15Å; H172-G176 WeakPolarHBondContact O-CA 3.3Å; H172-G176 PolarHBondContact O-N 3.37Å; H172-I177 HydrophobicContact CB-CD1 4.12Å; H172-I177 HydrophobicContact CB-CG1 4.16Å; H172-I177 PolarHBondContact ND1-N 3.29Å; H172-L231 HydrophobicContact CB-CD1 4.25Å; H172-L231 HydrophobicContact CB-CD2 4.21Å; H172-L231 HydrophobicContact CB-CG 4.49Å; H172-L231 WeakPolarHBondContact ND1-CD2 3.26Å
173D98.6Very high98.8Very high95 Ų9527 Ų2751%0.50815%0.147SC..Hα-helixtrans-63.4-32.9-178.5-68.6-11.4000111.3K169K169-D173 WeakPolarHBondContact CG-OD2 3.41Å; K169-D173 IonicContact NZ-OD1 3Å; K169-D173 IonicContact NZ-OD2 3.39Å; K169-D173 PolarHBondContact NZ-OD2 3.18Å; K169-D173 WeakPolarHBondContact O-CB 3.24Å; K169-D173 PolarHBondContact O-N 2.76Å
174T98.6Very high98.8Very high56 Ų5627.1 Ų27.134%0.34415%0.148SC..Hα-helixtrans-85.7-54.9-178.8-51.80000112.3V170 I171 H172 K258 T268V170-T174 PolarHBondContact O-N 3.38Å; V170-T174 PolarHBondContact O-OG1 3.25Å; I171-T174 PolarHBondContact O-N 3.24Å; H172-T174 PolarHBondContact O-N 3.15Å; T174-K258 PolarHBondContact O-NZ 2.86Å; T174-T268 HydrophobicContact CG2-CG2 4.16Å
175Y98.8Very high98.8Very high19 Ų1929.8 Ų29.88%0.07516%0.164CC..Hα-helixtrans-108.5-17.6-167.7-55.7-67.8000113.9I171 L256 E257 K258 A260 Q264 I265 T268I171-Y175 HydrophobicContact CD1-CD2 4.46Å; I171-Y175 HydrophobicContact CD1-CE2 4.48Å; I171-Y175 HydrophobicContact CG2-CD2 4.37Å; I171-Y175 PolarHBondContact O-N 3.4Å; Y175-L256 HydrophobicContact CG-CD1 4.35Å; Y175-E257 WeakPolarHBondContact O-CB 3.45Å; Y175-E257 PolarHBondContact O-N 3.41Å; Y175-K258 WeakPolarHBondContact O-CB 3.34Å; Y175-K258 PolarHBondContact O-N 2.86Å; Y175-A260 HydrophobicContact CD1-CB 3.77Å; Y175-A260 HydrophobicContact CE1-CB 3.47Å; Y175-A260 VanDerWaalsContact CE1-CB 3.47Å; Y175-A260 HydrophobicContact CG-CB 4.44Å; Y175-Q264 PolarHBondContact OH-O 2.98Å; Y175-I265 HydrophobicContact CE2-CG1 3.99Å; Y175-T268 HydrophobicContact CE2-CG2 4.16Å; Y175-T268 PolarHBondContact OH-OG1 3.22Å
176G98.8Very high98.8Very high17 Ų1730.1 Ų30.118%0.17517%0.166CC..  trans71.6132.8-167.500000111.3H172 L256 E257H172-G176 WeakPolarHBondContact O-CA 3.3Å; H172-G176 PolarHBondContact O-N 3.37Å; G176-L256 CarbonylContact O-C 3.53Å; G176-L256 VanDerWaalsContact O-CA 3.25Å; G176-L256 WeakPolarHBondContact O-CA 3.41Å; G176-E257 PolarHBondContact O-N 2.9Å
177I98.9Very high98.8Very high2 Ų230.1 Ų30.11%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-103.3124.4169.9-63.1172.6000107.4A168 I171 H172 L231 K234 L235 C254A168-I177 HydrophobicContact CB-CD1 4.28Å; I171-I177 HydrophobicContact CB-CD1 4.34Å; I171-I177 HydrophobicContact CG2-CD1 4.08Å; I171-I177 HydrophobicContact CG2-CG1 3.96Å; H172-I177 HydrophobicContact CB-CD1 4.12Å; H172-I177 HydrophobicContact CB-CG1 4.16Å; H172-I177 PolarHBondContact ND1-N 3.29Å; I177-L231 HydrophobicContact CB-CD2 3.83Å; I177-L231 HydrophobicContact CD1-CD2 4.3Å; I177-L231 HydrophobicContact CG2-CD2 4.26Å; I177-K234 WeakPolarHBondContact O-CD 3.37Å; I177-K234 PolarHBondContact O-NZ 2.87Å; I177-L235 HydrophobicContact CG2-CD2 4.23Å; I177-C254 HydrophobicContact CG2-CB 4.28Å
178V98.8Very high98.7Very high35 Ų3531.1 Ų31.121%0.21217%0.172CC..EExtended strand (participates in β ladder)trans-83.3-51.5175.1-170.70000109.9K234 R255 E257V178-K234 WeakPolarHBondContact O-CD 3.26Å; V178-R255 PolarHBondContact N-O 3.24Å; V178-E257 HydrophobicContact CG2-CB 4Å; V178-E257 VanDerWaalsContact CG2-OE2 3.29Å; V178-E257 WeakPolarHBondContact CG2-OE2 3.46Å
179E98.8Very high98.6Very high101 Ų10133 Ų3347%0.47218%0.183SC..EExtended strand (participates in β ladder)trans-155.9157177.565.7-161.3152.200109.9K234 C254 R255E179-K234 CarbonylContact C-O 3.53Å; E179-K234 WeakPolarHBondContact CA-O 3.42Å; E179-C254 WeakPolarHBondContact O-CA 3.39Å; E179-C254 WeakPolarHBondContact O-CB 3.32Å; E179-R255 HydrophobicContact CG-CB 4.13Å; E179-R255 PolarHBondContact O-N 3.15Å; E179-R255 IonicContact OE1-CZ 2.62Å; E179-R255 VanDerWaalsContact OE1-CZ 3.23Å; E179-R255 IonicContact OE1-NE 3.32Å; E179-R255 PolarHBondContact OE1-NE 2.85Å; E179-R255 IonicContact OE1-NH2 3.44Å; E179-R255 PolarHBondContact OE1-NH2 2.86Å
180G98.7Very high98.4Very high8 Ų835.7 Ų35.78%0.08221%0.213CC..EExtended strand (participates in β ladder)trans-162149.4175.500000113.9K234 T236 T253G180-K234 PolarHBondContact N-O 2.91Å; G180-T236 PolarHBondContact O-N 2.89Å; G180-T253 CarbonylContact C-O 3.22Å; G180-T253 WeakPolarHBondContact CA-O 3.39Å
181L98.8Very high98.1Very high112 Ų11239.7 Ų39.759%0.58624%0.237SC*.EExtended strand (participates in β ladder)trans-117.1132.3174.3-75.3171000109.3T236 T253L181-T236 WeakPolarHBondContact CA-O 3.31Å; L181-T236 HydrophobicContact CD2-CG2 3.61Å; L181-T253 PolarHBondContact N-O 3.36Å; L181-T253 PolarHBondContact O-N 2.64Å
182M98.7Very high97.9Very high2 Ų240.5 Ų40.51%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-107.8136.4177.1179.8-90.2-58.100111.2T160 L164 T184 T218 A220 A221 T236 G237 M238 V250 D251T160-M182 HydrophobicContact CG2-CE 3.73Å; T160-M182 HydrophobicContact CG2-SD 4.04Å; L164-M182 HydrophobicContact CD1-CG 4.44Å; L164-M182 HydrophobicContact CD2-CB 4.1Å; L164-M182 HydrophobicContact CD2-CE 4.32Å; L164-M182 HydrophobicContact CD2-CG 4.01Å; M182-T184 HydrophobicContact SD-CG2 4.05Å; M182-T184 PolarHBondContact SD-N 2.86Å; M182-T218 HydrophobicContact CE-CG2 4.01Å; M182-A220 HydrophobicContact CE-CB 4.37Å; M182-A221 HydrophobicContact CB-CB 4.1Å; M182-A221 HydrophobicContact CE-CB 3.57Å; M182-T236 PolarHBondContact N-O 2.9Å; M182-G237 CarbonylContact O-C 3.55Å; M182-G237 WeakPolarHBondContact O-CA 3.35Å; M182-M238 PolarHBondContact O-N 2.86Å; M182-V250 HydrophobicContact CG-CG1 3.83Å; M182-D251 CarbonylContact C-O 3.56Å; M182-D251 VanDerWaalsContact CA-O 3.23Å; M182-D251 WeakPolarHBondContact CA-O 3.43Å
183T98.9Very high97.9Very high38 Ų3842.8 Ų42.823%0.23325%0.25CS..EExtended strand (participates in β ladder)trans-114.3134.2159.3-62.70000108.1M238 F240 D251T183-M238 WeakPolarHBondContact CA-O 3.25Å; T183-M238 HydrophobicContact CG2-SD 4.37Å; T183-F240 HydrophobicContact CG2-CD2 3.69Å; T183-F240 HydrophobicContact CG2-CE2 3.98Å; T183-D251 PolarHBondContact N-O 3.45Å; T183-D251 PolarHBondContact O-N 3.39Å
184T98.8Very high97.8Very high1 Ų143.3 Ų43.31%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-109.9125.6164.2179.30000110.5T160 M182 H186 M238 A239 F240 V249 Y322T160-T184 HydrophobicContact CG2-CG2 3.89Å; M182-T184 HydrophobicContact SD-CG2 4.05Å; M182-T184 PolarHBondContact SD-N 2.86Å; T184-H186 HydrophobicContact CG2-CB 4.38Å; T184-M238 PolarHBondContact N-O 2.93Å; T184-A239 HydrophobicContact CG2-CB 3.49Å; T184-A239 VanDerWaalsContact CG2-CB 3.49Å; T184-A239 CarbonylContact O-C 3.58Å; T184-A239 WeakPolarHBondContact O-CA 3.16Å; T184-F240 PolarHBondContact O-N 3.21Å; T184-V249 CarbonylContact C-O 3.59Å; T184-V249 WeakPolarHBondContact CA-O 3.49Å; T184-V249 WeakPolarHBondContact CB-O 3.43Å; T184-V249 PolarHBondContact OG1-O 2.91Å; T184-Y322 PolarHBondContact OG1-OH 3.35Å
185V98.9Very high97.7Very high57 Ų5745.2 Ų45.235%0.34527%0.268SS..EExtended strand (participates in β ladder)trans-90.3106.9167.8-177.90000105.8V242 S248 V249V185-V242 HydrophobicContact CG1-CB 4.22Å; V185-V242 HydrophobicContact CG1-CG1 3.59Å; V185-V242 HydrophobicContact CG1-CG2 3.59Å; V185-S248 WeakPolarHBondContact O-CA 3.34Å; V185-V249 HydrophobicContact CB-CG1 3.71Å; V185-V249 HydrophobicContact CG2-CG1 4.34Å; V185-V249 PolarHBondContact N-O 3.31Å; V185-V249 PolarHBondContact O-N 3.11Å
186H98.8Very high97.7Very high6 Ų648.8 Ų48.83%0.02829%0.289CS..EExtended strand (participates in β ladder)trans-118.8133.6-159.9-163.2-51.3000111.7C159 T184 F240 R241 V242 S248 Y322C159-H186 PolarHBondContact SG-NE2 2.87Å; C159-H186 VanDerWaalsContact SG-NE2 3.43Å; T184-H186 HydrophobicContact CG2-CB 4.38Å; H186-F240 PolarHBondContact N-O 2.7Å; H186-R241 PolarHBondContact CD2-NH1 2.93Å; H186-R241 VanDerWaalsContact CD2-NH1 3.35Å; H186-R241 PolarHBondContact CE1-NH1 3Å; H186-R241 VanDerWaalsContact CE1-NH1 3.31Å; H186-R241 PolarHBondContact ND1-NH1 3.46Å; H186-R241 PolarHBondContact NE2-NH1 3.34Å; H186-R241 CarbonylContact O-C 3.55Å; H186-R241 VanDerWaalsContact O-CA 3.23Å; H186-R241 WeakPolarHBondContact O-CA 3.15Å; H186-V242 PolarHBondContact O-N 3.15Å; H186-S248 VanDerWaalsContact CA-OG 3.31Å; H186-S248 WeakPolarHBondContact CA-OG 3.46Å; H186-S248 PolarHBondContact CE1-OG 3.07Å; H186-S248 VanDerWaalsContact CG-OG 3.3Å; H186-S248 PolarHBondContact ND1-OG 3.16Å; H186-S248 VanDerWaalsContact ND1-OG 3.14Å; H186-Y322 PolarHBondContact CD2-OH 2.88Å
187S98.6Very high97.6Very high0 Ų049.6 Ų49.60%030%0.297CS..  trans-60.9160.8175.5-82.30000114T244 D246 V247 S248S187-T244 WeakPolarHBondContact CB-O 3.44Å; S187-T244 WeakPolarHBondContact OG-CB 3.04Å; S187-T244 PolarHBondContact OG-O 2.89Å; S187-T244 PolarHBondContact OG-OG1 3.35Å; S187-D246 VanDerWaalsContact CB-CA 3.47Å; S187-D246 WeakPolarHBondContact OG-CA 3.49Å; S187-D246 PolarHBondContact OG-N 2.83Å; S187-D246 PolarHBondContact OG-O 3.06Å; S187-V247 WeakPolarHBondContact CB-O 3.29Å; S187-V247 PolarHBondContact OG-O 3.5Å; S187-S248 PolarHBondContact N-OG 3.47Å
188V97.5Very high97.5Very high21 Ų2155.3 Ų55.313%0.12734%0.335CS..  trans-57.7140.3177.6178.60000110.3Q192 A209 F210 V242 T244V188-Q192 HydrophobicContact CG1-CB 4.45Å; V188-A209 HydrophobicContact CG1-CB 3.79Å; V188-A209 HydrophobicContact CG2-CB 4.01Å; V188-F210 HydrophobicContact CG2-CE1 4.47Å; V188-V242 VanDerWaalsContact CG2-O 3.32Å; V188-V242 WeakPolarHBondContact CG2-O 3.31Å; V188-T244 WeakPolarHBondContact CG2-O 3.37Å; V188-T244 PolarHBondContact N-O 3.47Å
189T96.4Very high97.2Very high39 Ų3955.6 Ų55.624%0.23934%0.338CS..  trans-123.3163.5174.369.40000111.5T191 Q192T189-T191 PolarHBondContact O-N 2.88Å; T189-T191 PolarHBondContact OG1-OG1 3.32Å; T189-Q192 PolarHBondContact O-N 3.49Å
190A95Very high96.5Very high95 Ų9554.2 Ų54.279%0.78535%0.351SS*.THydrogen-bonded Turntrans-61.1-10.1-178.300000115.3
191T92Very high95.8Very high95 Ų9562.5 Ų62.558%0.58339%0.385SS*.THydrogen-bonded Turntrans-81.2-20.5176.560.80000113.2T189T189-T191 PolarHBondContact O-N 2.88Å; T189-T191 PolarHBondContact OG1-OG1 3.32Å
192Q95.8Very high95.3Very high17 Ų1762.2 Ų62.28%0.07938%0.38CS..SBendtrans-83.2166-179.3-64.8169.3-104.500111.8V188 T189 A209V188-Q192 HydrophobicContact CG1-CB 4.45Å; T189-Q192 PolarHBondContact O-N 3.49Å; Q192-A209 HydrophobicContact CB-CB 3.91Å
193K96.8Very high95.2Very high82 Ų8272.7 Ų72.736%0.35742%0.42SS..BIsolated β-bridgetrans-106.3149.9-174.3-52.8-55.7179.5-167.30112.2V195 P198 A209K193-V195 WeakPolarHBondContact CB-O 3.38Å; K193-P198 VanDerWaalsContact CE-O 3.24Å; K193-P198 WeakPolarHBondContact CE-O 3.46Å; K193-A209 WeakPolarHBondContact O-CB 3.35Å; K193-A209 PolarHBondContact O-N 3.36Å
194T97.2Very high95.2Very high107 Ų10778 Ų7866%0.65644%0.436SS*.SBendtrans-69.2-35.4174.2490000112.2
195V97.4Very high94.9Very high95 Ų9579.2 Ų79.258%0.57644%0.442SS*.SBendtrans-135.9166.9175.5-64.10000109.6K193 G197K193-V195 WeakPolarHBondContact CB-O 3.38Å; V195-G197 PolarHBondContact O-N 3.28Å
196D97.9Very high94.8Very high95 Ų9576.7 Ų76.751%0.50843%0.427SS..SBendtrans-54.6125.1179.6-72.55.6000111.6G206 R207 G208D196-G206 CarbonylContact C-O 3.58Å; D196-G206 WeakPolarHBondContact CA-O 3.38Å; D196-R207 VanDerWaalsContact CG-NE 3.26Å; D196-R207 VanDerWaalsContact OD1-CA 3.3Å; D196-R207 WeakPolarHBondContact OD1-CA 3.2Å; D196-R207 IonicContact OD1-NE 3.89Å; D196-R207 PolarHBondContact OD1-NE 3.19Å; D196-R207 IonicContact OD1-NH2 3.46Å; D196-R207 IonicContact OD2-CZ 3.04Å; D196-R207 IonicContact OD2-NE 3.67Å; D196-R207 PolarHBondContact OD2-NE 3.17Å; D196-R207 IonicContact OD2-NH2 3.98Å; D196-R207 PolarHBondContact OD2-NH2 2.88Å; D196-G208 PolarHBondContact OD1-N 2.84Å
197G96.9Very high94.8Very high34 Ų3481.7 Ų81.735%0.35145%0.446SS..  trans-166.4176.6-175.300000113.8V195 G206V195-G197 PolarHBondContact O-N 3.28Å; G197-G206 PolarHBondContact N-O 2.81Å; G197-G206 CarbonylContact O-C 3.53Å; G197-G206 WeakPolarHBondContact O-CA 3.1Å; G197-G206 VanDerWaalsContact O-O 3.12Å
198P96Very high94.7Very high122 Ų12281.7 Ų81.779%0.79245%0.446SS*.  trans-72132.3-175.128-34000112.5K193K193-P198 VanDerWaalsContact CE-O 3.24Å; K193-P198 WeakPolarHBondContact CE-O 3.46Å
199S92.5Very high94.7Very high40 Ų4080.8 Ų80.828%0.2844%0.441SS..  trans-111-7.7174.964.70000114.4K201 H202 W203S199-K201 VanDerWaalsContact C-N 3.29Å; S199-K201 PolarHBondContact O-N 3.01Å; S199-H202 WeakPolarHBondContact CB-O 3.42Å; S199-H202 PolarHBondContact OG-O 3.07Å; S199-W203 WeakPolarHBondContact OG-CA 3.49Å
200G86Confident94.8Very high73 Ų7384.7 Ų84.775%0.75346%0.455SS*.THydrogen-bonded Turntrans78.6-60.4178.100000114.5
201K82.6Confident94.9Very high182 Ų18286 Ų8679%0.79145%0.445SS*.THydrogen-bonded Turntrans-110.2-50.3-174.9-69-174179.4-178.10114.2S199S199-K201 VanDerWaalsContact C-N 3.29Å; S199-K201 PolarHBondContact O-N 3.01Å
202H89.7Confident95.2Very high106 Ų10683.5 Ų83.549%0.49143%0.427SS..  trans-10592.7-175.1-61.4-61.4000109.8S199 R204 D205S199-H202 WeakPolarHBondContact CB-O 3.42Å; S199-H202 PolarHBondContact OG-O 3.07Å; H202-R204 PolarHBondContact O-N 3.26Å; H202-R204 VanDerWaalsContact O-N 3.07Å; H202-D205 HydrophobicContact CB-CB 4.33Å; H202-D205 VanDerWaalsContact CB-OD2 3.26Å; H202-D205 WeakPolarHBondContact CB-OD2 3.47Å; H202-D205 IonicContact CD2-OD2 3.99Å; H202-D205 IonicContact CG-OD2 2.69Å; H202-D205 WeakPolarHBondContact O-CB 3.23Å; H202-D205 PolarHBondContact O-N 3.01Å
203W96Very high95.4Very high221 Ų22188.3 Ų88.384%0.83745%0.452SS*.G310 helixtrans-54.4-34.9-169.9-65-3000114S199 D205 G206S199-W203 WeakPolarHBondContact OG-CA 3.49Å; W203-D205 VanDerWaalsContact C-N 3.3Å; W203-D205 PolarHBondContact O-N 3.29Å; W203-G206 PolarHBondContact O-N 2.84Å; W203-G206 VanDerWaalsContact O-N 3.1Å
204R97.4Very high95.4Very high150 Ų15084.6 Ų84.657%0.56644%0.436SS*.G310 helixtrans-63.2-33.9178.6-63.9-174.9178.6174.6-0.5112.8H202 G206 R207 I214 P215H202-R204 PolarHBondContact O-N 3.26Å; H202-R204 VanDerWaalsContact O-N 3.07Å; R204-G206 PolarHBondContact O-N 2.7Å; R204-R207 WeakPolarHBondContact O-CB 3.17Å; R204-R207 WeakPolarHBondContact O-CG 3.31Å; R204-R207 PolarHBondContact O-N 3.15Å; R204-R207 VanDerWaalsContact O-N 3.12Å; R204-I214 HydrophobicContact CB-CG2 3.68Å; R204-I214 WeakPolarHBondContact O-CG2 3.32Å; R204-P215 WeakPolarHBondContact CD-O 3.32Å; R204-P215 VanDerWaalsContact NH1-CB 3.3Å
205D94Very high95.5Very high27 Ų2781.1 Ų81.114%0.14442%0.416CS..G310 helixtrans-69.7-11.8177.4-62-17.1000112.8H202 W203 R207H202-D205 HydrophobicContact CB-CB 4.33Å; H202-D205 VanDerWaalsContact CB-OD2 3.26Å; H202-D205 WeakPolarHBondContact CB-OD2 3.47Å; H202-D205 IonicContact CD2-OD2 3.99Å; H202-D205 IonicContact CG-OD2 2.69Å; H202-D205 WeakPolarHBondContact O-CB 3.23Å; H202-D205 PolarHBondContact O-N 3.01Å; W203-D205 VanDerWaalsContact C-N 3.3Å; W203-D205 PolarHBondContact O-N 3.29Å; D205-R207 VanDerWaalsContact C-N 3.32Å
206G96.6Very high95.4Very high3 Ų377.3 Ų77.33%0.03140%0.395CS..G310 helixtrans-79.8-12.6173.800000113.8D196 G197 W203 R204D196-G206 CarbonylContact C-O 3.58Å; D196-G206 WeakPolarHBondContact CA-O 3.38Å; G197-G206 PolarHBondContact N-O 2.81Å; G197-G206 CarbonylContact O-C 3.53Å; G197-G206 WeakPolarHBondContact O-CA 3.1Å; G197-G206 VanDerWaalsContact O-O 3.12Å; W203-G206 PolarHBondContact O-N 2.84Å; W203-G206 VanDerWaalsContact O-N 3.1Å; R204-G206 PolarHBondContact O-N 2.7Å
207R97.9Very high95.2Very high112 Ų11277.4 Ų77.442%0.42340%0.403SS..SBendtrans-76.7149.3178-55.1-59.3-56.9-67.80.1110.6D196 R204 D205 A209 I214D196-R207 VanDerWaalsContact CG-NE 3.26Å; D196-R207 VanDerWaalsContact OD1-CA 3.3Å; D196-R207 WeakPolarHBondContact OD1-CA 3.2Å; D196-R207 IonicContact OD1-NE 3.89Å; D196-R207 PolarHBondContact OD1-NE 3.19Å; D196-R207 IonicContact OD1-NH2 3.46Å; D196-R207 IonicContact OD2-CZ 3.04Å; D196-R207 IonicContact OD2-NE 3.67Å; D196-R207 PolarHBondContact OD2-NE 3.17Å; D196-R207 IonicContact OD2-NH2 3.98Å; D196-R207 PolarHBondContact OD2-NH2 2.88Å; R204-R207 WeakPolarHBondContact O-CB 3.17Å; R204-R207 WeakPolarHBondContact O-CG 3.31Å; R204-R207 PolarHBondContact O-N 3.15Å; R204-R207 VanDerWaalsContact O-N 3.12Å; D205-R207 VanDerWaalsContact C-N 3.32Å; R207-A209 PolarHBondContact O-N 3.26Å; R207-I214 HydrophobicContact CB-CD1 4.32Å
208G97.9Very high95Very high0 Ų077.6 Ų77.60%040%0.397CS..BIsolated β-bridgetrans-54.1121.2-179.600000112.6D196 F210 Q211 N212D196-G208 PolarHBondContact OD1-N 2.84Å; G208-F210 VanDerWaalsContact C-N 3.35Å; G208-F210 PolarHBondContact O-N 2.96Å; G208-Q211 PolarHBondContact O-N 2.79Å; G208-Q211 PolarHBondContact O-OE1 2.91Å; G208-N212 PolarHBondContact O-ND2 3.3Å
209A97.6Very high94.8Very high2 Ų274.3 Ų74.32%0.01739%0.385CS..THydrogen-bonded Turntrans-68-32.1-169.500000113.5V188 Q192 K193 R207 Q211V188-A209 HydrophobicContact CG1-CB 3.79Å; V188-A209 HydrophobicContact CG2-CB 4.01Å; Q192-A209 HydrophobicContact CB-CB 3.91Å; K193-A209 WeakPolarHBondContact O-CB 3.35Å; K193-A209 PolarHBondContact O-N 3.36Å; R207-A209 PolarHBondContact O-N 3.26Å; A209-Q211 VanDerWaalsContact C-N 3.34Å
210F97.1Very high94.9Very high120 Ų12072.5 Ų72.553%0.52637%0.373SS..THydrogen-bonded Turntrans-89.50-177.3-71.4-76.6000113.4V188 G208 P243V188-F210 HydrophobicContact CG2-CE1 4.47Å; G208-F210 VanDerWaalsContact C-N 3.35Å; G208-F210 PolarHBondContact O-N 2.96Å; F210-P243 HydrophobicContact CD1-CB 4.33Å
211Q97.6Very high95.3Very high123 Ų12369 Ų6958%0.57534%0.337SS*.THydrogen-bonded Turntrans-116.5-6.6-178.6-56.187.7-5.600113.6G208 A209G208-Q211 PolarHBondContact O-N 2.79Å; G208-Q211 PolarHBondContact O-OE1 2.91Å; A209-Q211 VanDerWaalsContact C-N 3.34Å
212N98.6Very high95.9Very high42 Ų4267.3 Ų67.323%0.22533%0.329CS..  trans-133.3151.5-168.7-68.5-82000113.4G208 I214G208-N212 PolarHBondContact O-ND2 3.3Å; N212-I214 HydrophobicContact CB-CD1 4.12Å; N212-I214 HydrophobicContact CB-CG1 3.58Å
213I98.7Very high96.3Very high118 Ų11862.6 Ų62.661%0.60531%0.309SS*.  trans-94.3114.5155.9-57.9173.2000106.4P215 F240 R241 V242I213-P215 WeakPolarHBondContact O-CD 3.34Å; I213-F240 HydrophobicContact CG2-CB 4Å; I213-F240 HydrophobicContact CG2-CD1 3.76Å; I213-F240 HydrophobicContact CG2-CG 4.18Å; I213-R241 CarbonylContact C-O 3.54Å; I213-R241 WeakPolarHBondContact CA-O 3.5Å; I213-V242 HydrophobicContact CG1-CG1 4.38Å; I213-V242 HydrophobicContact CG2-CG1 4.21Å
214I98.3Very high96.3Very high4 Ų452.1 Ų52.12%0.02127%0.269CS..EExtended strand (participates in β ladder)trans-112.5107.1-168.1-56.5176000109.4R204 R207 N212 A216 F240 R241R204-I214 HydrophobicContact CB-CG2 3.68Å; R204-I214 WeakPolarHBondContact O-CG2 3.32Å; R207-I214 HydrophobicContact CB-CD1 4.32Å; N212-I214 HydrophobicContact CB-CD1 4.12Å; N212-I214 HydrophobicContact CB-CG1 3.58Å; I214-A216 PolarHBondContact O-N 2.94Å; I214-F240 CarbonylContact O-C 3.55Å; I214-F240 WeakPolarHBondContact O-CA 3.31Å; I214-R241 HydrophobicContact CB-CB 4.1Å; I214-R241 PolarHBondContact N-O 2.82Å; I214-R241 PolarHBondContact O-N 3.02Å
215P98.1Very high96.3Very high35 Ų3545.2 Ų45.223%0.22725%0.245CC..EExtended strand (participates in β ladder)trans-70.5133175.41.19.1000110.9R204 I213 M238 A239 F240R204-P215 WeakPolarHBondContact CD-O 3.32Å; R204-P215 VanDerWaalsContact NH1-CB 3.3Å; I213-P215 WeakPolarHBondContact O-CD 3.34Å; P215-M238 HydrophobicContact CB-CE 3.96Å; P215-A239 CarbonylContact C-O 3.54Å; P215-A239 WeakPolarHBondContact CA-O 3.45Å; P215-F240 HydrophobicContact CB-CD1 3.81Å; P215-F240 HydrophobicContact CB-CE1 3.69Å; P215-F240 HydrophobicContact CG-CD1 4.03Å; P215-F240 HydrophobicContact CG-CE1 3.81Å
216A96.2Very high96.4Very high15 Ų1549.7 Ų49.712%0.12426%0.263CS..EExtended strand (participates in β ladder)trans-133.9144.9-176.400000111.4I214 A239 R241I214-A216 PolarHBondContact O-N 2.94Å; A216-A239 HydrophobicContact CB-CB 4.34Å; A216-A239 PolarHBondContact N-O 3.24Å; A216-A239 PolarHBondContact O-N 3.16Å; A216-R241 HydrophobicContact CB-CG 4.48Å
217S93.3Very high96.5Very high97 Ų9749.9 Ų49.968%0.67826%0.263SS*.EExtended strand (participates in β ladder)trans-76.4141.9169.154.10000110.3
218T93.4Very high96.5Very high38 Ų3845.2 Ų45.223%0.23325%0.247CC..  trans-136.5137.7173.1-179.20000111.3M182 A220 A239M182-T218 HydrophobicContact CE-CG2 4.01Å; T218-A220 HydrophobicContact CG2-CB 4.47Å; T218-A220 VanDerWaalsContact OG1-CB 3.26Å; T218-A220 WeakPolarHBondContact OG1-CB 3.42Å; T218-A220 PolarHBondContact OG1-N 2.64Å; T218-A220 VanDerWaalsContact OG1-N 3.1Å; T218-A239 HydrophobicContact CG2-CB 4.33Å
219G91.2Very high96.5Very high53 Ų5350.2 Ų50.255%0.54628%0.279SS..SBendtrans-81.7-1.5170.400000113.4A221 K222 A223G219-A221 PolarHBondContact O-N 3.34Å; G219-K222 PolarHBondContact O-N 3.14Å; G219-A223 WeakPolarHBondContact O-CB 3.44Å; G219-A223 PolarHBondContact O-N 3.1Å
220A94.8Very high96.6Very high2 Ų252.9 Ų52.92%0.01730%0.302CS..Hα-helixtrans-61.9-42.2-168.300000113.8S158 T160 T161 M182 T218 A223 V224S158-A220 WeakPolarHBondContact OG-CB 3.39Å; T160-A220 HydrophobicContact CG2-CB 3.72Å; T161-A220 WeakPolarHBondContact OG1-CA 3.46Å; T161-A220 PolarHBondContact OG1-O 3.38Å; T161-A220 VanDerWaalsContact OG1-O 3.07Å; M182-A220 HydrophobicContact CE-CB 4.37Å; T218-A220 HydrophobicContact CG2-CB 4.47Å; T218-A220 VanDerWaalsContact OG1-CB 3.26Å; T218-A220 WeakPolarHBondContact OG1-CB 3.42Å; T218-A220 PolarHBondContact OG1-N 2.64Å; T218-A220 VanDerWaalsContact OG1-N 3.1Å; A220-A223 WeakPolarHBondContact O-CB 3.35Å; A220-A223 PolarHBondContact O-N 2.58Å; A220-V224 PolarHBondContact O-N 3.27Å
221A94.7Very high96.7Very high0 Ų047.2 Ų47.20%028%0.276CS..Hα-helixtrans-68.8-40.4175.500000112.3L164 M182 G219 A223 V224L164-A221 HydrophobicContact CD2-CB 3.86Å; M182-A221 HydrophobicContact CB-CB 4.1Å; M182-A221 HydrophobicContact CE-CB 3.57Å; G219-A221 PolarHBondContact O-N 3.34Å; A221-A223 PolarHBondContact O-N 3.23Å; A221-V224 VanDerWaalsContact O-CB 3.28Å; A221-V224 WeakPolarHBondContact O-CB 3.48Å; A221-V224 PolarHBondContact O-N 2.74Å; A221-V224 VanDerWaalsContact O-N 3.07Å
222K95.5Very high96.7Very high145 Ų14546.6 Ų46.663%0.6328%0.277SS*.Hα-helixtrans-62.3-34.4173.7-172.2175-179.4177.30111.6G219 V224 G225G219-K222 PolarHBondContact O-N 3.14Å; K222-V224 PolarHBondContact O-N 3.01Å; K222-G225 PolarHBondContact O-N 3.19Å; K222-G225 VanDerWaalsContact O-N 3.15Å
223A96.6Very high96.6Very high8 Ų848.3 Ų48.37%0.06630%0.304CS..Hα-helixtrans-66.9-22.917600000113.1M136 T161 G219 A220 A221 G225 K226 V227M136-A223 HydrophobicContact CE-CB 3.86Å; M136-A223 HydrophobicContact SD-CB 4.33Å; T161-A223 HydrophobicContact CG2-CB 4.18Å; G219-A223 WeakPolarHBondContact O-CB 3.44Å; G219-A223 PolarHBondContact O-N 3.1Å; A220-A223 WeakPolarHBondContact O-CB 3.35Å; A220-A223 PolarHBondContact O-N 2.58Å; A221-A223 PolarHBondContact O-N 3.23Å; A223-G225 PolarHBondContact O-N 2.95Å; A223-K226 WeakPolarHBondContact O-CB 3.32Å; A223-K226 PolarHBondContact O-N 2.92Å; A223-V227 PolarHBondContact O-N 2.9Å
224V97.9Very high96.6Very high0 Ų046.3 Ų46.30%029%0.292CS..Hα-helixtrans-59.1-38.7170.6-179.30000110.7T161 L164 A165 A168 A220 A221 K222 K226 V227 I228 L231 L235T161-V224 HydrophobicContact CG2-CG2 4.25Å; L164-V224 HydrophobicContact CB-CG2 4.19Å; L164-V224 HydrophobicContact CD2-CG2 3.62Å; L164-V224 HydrophobicContact CG-CG2 3.83Å; A165-V224 HydrophobicContact CB-CG1 4.29Å; A165-V224 HydrophobicContact CB-CG2 4.22Å; A168-V224 HydrophobicContact CB-CG1 4.16Å; A220-V224 PolarHBondContact O-N 3.27Å; A221-V224 VanDerWaalsContact O-CB 3.28Å; A221-V224 WeakPolarHBondContact O-CB 3.48Å; A221-V224 PolarHBondContact O-N 2.74Å; A221-V224 VanDerWaalsContact O-N 3.07Å; K222-V224 PolarHBondContact O-N 3.01Å; V224-K226 PolarHBondContact O-N 3.47Å; V224-V227 WeakPolarHBondContact O-CG2 3.15Å; V224-V227 PolarHBondContact O-N 3.34Å; V224-I228 HydrophobicContact CG1-CD1 3.85Å; V224-I228 HydrophobicContact CG1-CG1 4.44Å; V224-I228 PolarHBondContact O-N 3.27Å; V224-L231 HydrophobicContact CG1-CD1 4.07Å; V224-L235 HydrophobicContact CB-CD1 4.21Å; V224-L235 HydrophobicContact CG1-CD1 3.83Å
225G96.9Very high96.7Very high5 Ų546.5 Ų46.55%0.05229%0.293CS..Hα-helixtrans-63.8-21.5174.300000114.8K222 A223 P229K222-G225 PolarHBondContact O-N 3.19Å; K222-G225 VanDerWaalsContact O-N 3.15Å; A223-G225 PolarHBondContact O-N 2.95Å; G225-P229 WeakPolarHBondContact O-CA 3.23Å
226K96.3Very high96.6Very high122 Ų12248.3 Ų48.353%0.5330%0.303SS..Hα-helixtrans-80.2-37.6173.6-69.9-179.3166.8-166.40111.9M136 A223 V224M136-K226 HydrophobicContact CE-CB 4.28Å; M136-K226 HydrophobicContact CE-CD 3.27Å; M136-K226 HydrophobicContact CE-CG 4.37Å; A223-K226 WeakPolarHBondContact O-CB 3.32Å; A223-K226 PolarHBondContact O-N 2.92Å; V224-K226 PolarHBondContact O-N 3.47Å
227V98.1Very high96.7Very high6 Ų648.5 Ų48.54%0.03631%0.306CS..Hα-helixtrans-88.5-20.5-179.6-61.30000113.1M136 V138 V141 N142 T161 A165 A223 V224M136-V227 HydrophobicContact CB-CG1 4.13Å; V138-V227 HydrophobicContact CG2-CG1 4.13Å; V138-V227 HydrophobicContact CG2-CG2 4.4Å; V141-V227 HydrophobicContact CG1-CB 4.37Å; V141-V227 HydrophobicContact CG1-CG2 4.23Å; N142-V227 HydrophobicContact CB-CB 4.41Å; N142-V227 VanDerWaalsContact CB-O 3.31Å; N142-V227 WeakPolarHBondContact CB-O 3.41Å; T161-V227 HydrophobicContact CG2-CG2 4.47Å; A165-V227 HydrophobicContact CB-CG2 3.97Å; A223-V227 PolarHBondContact O-N 2.9Å; V224-V227 WeakPolarHBondContact O-CG2 3.15Å; V224-V227 PolarHBondContact O-N 3.34Å
228I98.5Very high96.9Very high15 Ų1547 Ų478%0.07729%0.289CS..SBendtrans-127.487.1172.5-54.4169000106.9V141 A165 K169 V224 A230 L231V141-I228 HydrophobicContact CG1-CD1 3.8Å; V141-I228 HydrophobicContact CG1-CG1 3.41Å; V141-I228 VanDerWaalsContact CG1-CG1 3.41Å; A165-I228 HydrophobicContact CB-CD1 4.38Å; A165-I228 WeakPolarHBondContact O-CD1 3.4Å; K169-I228 HydrophobicContact CB-CD1 3.72Å; V224-I228 HydrophobicContact CG1-CD1 3.85Å; V224-I228 HydrophobicContact CG1-CG1 4.44Å; V224-I228 PolarHBondContact O-N 3.27Å; I228-A230 PolarHBondContact O-N 3.18Å; I228-A230 VanDerWaalsContact O-N 3.07Å; I228-L231 HydrophobicContact CB-CB 4.34Å; I228-L231 HydrophobicContact CB-CD1 4.06Å; I228-L231 HydrophobicContact CB-CG 4.36Å; I228-L231 HydrophobicContact CD1-CD1 3.91Å; I228-L231 HydrophobicContact CG2-CB 4.23Å; I228-L231 HydrophobicContact CG2-CD1 3.76Å; I228-L231 HydrophobicContact CG2-CG 3.83Å; I228-L231 WeakPolarHBondContact O-CB 3.47Å; I228-L231 PolarHBondContact O-N 3.47Å
229P98.1Very high97.2Very high104 Ų10445.2 Ų45.268%0.67528%0.279SS*.G310 helixtrans-54.7-31.3-174.2-30.137000114.7G225 L231 N232G225-P229 WeakPolarHBondContact O-CA 3.23Å; P229-L231 PolarHBondContact O-N 3.31Å; P229-L231 VanDerWaalsContact O-N 3.16Å; P229-N232 VanDerWaalsContact O-CB 3.26Å; P229-N232 WeakPolarHBondContact O-CB 3.44Å; P229-N232 PolarHBondContact O-N 3.3Å
230A98.4Very high97.5Very high59 Ų5946 Ų4649%0.48827%0.267SS..G310 helixtrans-63.6-15.8175.600000114.3I228I228-A230 PolarHBondContact O-N 3.18Å; I228-A230 VanDerWaalsContact O-N 3.07Å
231L98.6Very high97.7Very high0 Ų048.4 Ų48.40%028%0.276CS..G310 helixtrans-103.74.6176-66.7176.3000113.2A168 H172 I177 V224 I228 P229 G233 K234 L235A168-L231 HydrophobicContact CB-CD1 3.92Å; H172-L231 HydrophobicContact CB-CD1 4.25Å; H172-L231 HydrophobicContact CB-CD2 4.21Å; H172-L231 HydrophobicContact CB-CG 4.49Å; H172-L231 WeakPolarHBondContact ND1-CD2 3.26Å; I177-L231 HydrophobicContact CB-CD2 3.83Å; I177-L231 HydrophobicContact CD1-CD2 4.3Å; I177-L231 HydrophobicContact CG2-CD2 4.26Å; V224-L231 HydrophobicContact CG1-CD1 4.07Å; I228-L231 HydrophobicContact CB-CB 4.34Å; I228-L231 HydrophobicContact CB-CD1 4.06Å; I228-L231 HydrophobicContact CB-CG 4.36Å; I228-L231 HydrophobicContact CD1-CD1 3.91Å; I228-L231 HydrophobicContact CG2-CB 4.23Å; I228-L231 HydrophobicContact CG2-CD1 3.76Å; I228-L231 HydrophobicContact CG2-CG 3.83Å; I228-L231 WeakPolarHBondContact O-CB 3.47Å; I228-L231 PolarHBondContact O-N 3.47Å; P229-L231 PolarHBondContact O-N 3.31Å; P229-L231 VanDerWaalsContact O-N 3.16Å; L231-G233 PolarHBondContact O-N 3.07Å; L231-K234 HydrophobicContact CD2-CD 4.27Å; L231-K234 WeakPolarHBondContact O-CB 3.37Å; L231-K234 PolarHBondContact O-N 3.03Å; L231-L235 HydrophobicContact CB-CD1 4.42Å; L231-L235 HydrophobicContact CD1-CD1 3.97Å
232N98.2Very high97.9Very high111 Ų11149.4 Ų49.459%0.59428%0.282SS*.THydrogen-bonded Turntrans-60.7127.4177.6-171.436.1000111.1P229 K234P229-N232 VanDerWaalsContact O-CB 3.26Å; P229-N232 WeakPolarHBondContact O-CB 3.44Å; P229-N232 PolarHBondContact O-N 3.3Å; N232-K234 PolarHBondContact O-N 2.86Å
233G97.9Very high98Very high77 Ų7745.4 Ų45.479%0.79427%0.271SS*.THydrogen-bonded Turntrans77.1-5.1-175.600000115.5L231L231-G233 PolarHBondContact O-N 3.07Å
234K98.6Very high98.1Very high77 Ų7747 Ų4734%0.33528%0.28SS..THydrogen-bonded Turntrans-95.2-20.2-178.8-62-172.5172.1-176.70114.2I177 V178 E179 G180 L231 N232I177-K234 WeakPolarHBondContact O-CD 3.37Å; I177-K234 PolarHBondContact O-NZ 2.87Å; V178-K234 WeakPolarHBondContact O-CD 3.26Å; E179-K234 CarbonylContact C-O 3.53Å; E179-K234 WeakPolarHBondContact CA-O 3.42Å; G180-K234 PolarHBondContact N-O 2.91Å; L231-K234 HydrophobicContact CD2-CD 4.27Å; L231-K234 WeakPolarHBondContact O-CB 3.37Å; L231-K234 PolarHBondContact O-N 3.03Å; N232-K234 PolarHBondContact O-N 2.86Å
235L98.5Very high98.1Very high8 Ų850.9 Ų50.94%0.04231%0.305CS..EExtended strand (participates in β ladder)trans-124.8131.8-177.6-63.5179.5000111.5A168 I177 V224 L231 L252A168-L235 HydrophobicContact CB-CD1 4.04Å; I177-L235 HydrophobicContact CG2-CD2 4.23Å; V224-L235 HydrophobicContact CB-CD1 4.21Å; V224-L235 HydrophobicContact CG1-CD1 3.83Å; L231-L235 HydrophobicContact CB-CD1 4.42Å; L231-L235 HydrophobicContact CD1-CD1 3.97Å; L235-L252 HydrophobicContact CD2-CD1 3.99Å
236T98.1Very high98.2Very high73 Ų7351 Ų5145%0.44830%0.304SS..EExtended strand (participates in β ladder)trans-147.9176.5167-166.60000109.4G180 L181 M182G180-T236 PolarHBondContact O-N 2.89Å; L181-T236 WeakPolarHBondContact CA-O 3.31Å; L181-T236 HydrophobicContact CD2-CG2 3.61Å; M182-T236 PolarHBondContact N-O 2.9Å
237G97.4Very high98.3Very high18 Ų1845.3 Ų45.319%0.18628%0.28CS..EExtended strand (participates in β ladder)trans-179.3-174.3-17600000114.9M182M182-G237 CarbonylContact O-C 3.55Å; M182-G237 WeakPolarHBondContact O-CA 3.35Å
238M98.2Very high98.3Very high65 Ų6545.1 Ų45.132%0.3228%0.279SS..EExtended strand (participates in β ladder)trans-143.1177.1179.568.410263.900110.7M182 T183 T184 P215 F240M182-M238 PolarHBondContact O-N 2.86Å; T183-M238 WeakPolarHBondContact CA-O 3.25Å; T183-M238 HydrophobicContact CG2-SD 4.37Å; T184-M238 PolarHBondContact N-O 2.93Å; P215-M238 HydrophobicContact CB-CE 3.96Å; M238-F240 HydrophobicContact CE-CE1 4.4Å; M238-F240 HydrophobicContact CE-CE2 4.26Å; M238-F240 HydrophobicContact CE-CZ 4.02Å; M238-F240 HydrophobicContact SD-CD2 3.88Å; M238-F240 HydrophobicContact SD-CE2 3.47Å; M238-F240 WeakPolarHBondContact SD-CE2 3.45Å; M238-F240 HydrophobicContact SD-CZ 3.86Å
239A98.5Very high98.4Very high2 Ų245.5 Ų45.52%0.01728%0.282CS..EExtended strand (participates in β ladder)trans-131.9152.917900000111.2T184 P215 A216 T218T184-A239 HydrophobicContact CG2-CB 3.49Å; T184-A239 VanDerWaalsContact CG2-CB 3.49Å; T184-A239 CarbonylContact O-C 3.58Å; T184-A239 WeakPolarHBondContact O-CA 3.16Å; P215-A239 CarbonylContact C-O 3.54Å; P215-A239 WeakPolarHBondContact CA-O 3.45Å; A216-A239 HydrophobicContact CB-CB 4.34Å; A216-A239 PolarHBondContact N-O 3.24Å; A216-A239 PolarHBondContact O-N 3.16Å; T218-A239 HydrophobicContact CG2-CB 4.33Å
240F98.7Very high98.4Very high70 Ų7040.6 Ų40.631%0.30725%0.25SC..EExtended strand (participates in β ladder)trans-115.6120.9158.9-68.6-81.5000108.2T183 T184 H186 I213 I214 P215 M238T183-F240 HydrophobicContact CG2-CD2 3.69Å; T183-F240 HydrophobicContact CG2-CE2 3.98Å; T184-F240 PolarHBondContact O-N 3.21Å; H186-F240 PolarHBondContact N-O 2.7Å; I213-F240 HydrophobicContact CG2-CB 4Å; I213-F240 HydrophobicContact CG2-CD1 3.76Å; I213-F240 HydrophobicContact CG2-CG 4.18Å; I214-F240 CarbonylContact O-C 3.55Å; I214-F240 WeakPolarHBondContact O-CA 3.31Å; P215-F240 HydrophobicContact CB-CD1 3.81Å; P215-F240 HydrophobicContact CB-CE1 3.69Å; P215-F240 HydrophobicContact CG-CD1 4.03Å; P215-F240 HydrophobicContact CG-CE1 3.81Å; M238-F240 HydrophobicContact CE-CE1 4.4Å; M238-F240 HydrophobicContact CE-CE2 4.26Å; M238-F240 HydrophobicContact CE-CZ 4.02Å; M238-F240 HydrophobicContact SD-CD2 3.88Å; M238-F240 HydrophobicContact SD-CE2 3.47Å; M238-F240 WeakPolarHBondContact SD-CE2 3.45Å; M238-F240 HydrophobicContact SD-CZ 3.86Å
241R98.2Very high98.4Very high52 Ų5239.7 Ų39.720%0.19624%0.237CC..EExtended strand (participates in β ladder)trans-78.8131.1167.9-48.4-69.1-174176.8-1.5108.8H186 I213 I214 A216H186-R241 PolarHBondContact CD2-NH1 2.93Å; H186-R241 VanDerWaalsContact CD2-NH1 3.35Å; H186-R241 PolarHBondContact CE1-NH1 3Å; H186-R241 VanDerWaalsContact CE1-NH1 3.31Å; H186-R241 PolarHBondContact ND1-NH1 3.46Å; H186-R241 PolarHBondContact NE2-NH1 3.34Å; H186-R241 CarbonylContact O-C 3.55Å; H186-R241 VanDerWaalsContact O-CA 3.23Å; H186-R241 WeakPolarHBondContact O-CA 3.15Å; I213-R241 CarbonylContact C-O 3.54Å; I213-R241 WeakPolarHBondContact CA-O 3.5Å; I214-R241 HydrophobicContact CB-CB 4.1Å; I214-R241 PolarHBondContact N-O 2.82Å; I214-R241 PolarHBondContact O-N 3.02Å; A216-R241 HydrophobicContact CB-CG 4.48Å
242V98.7Very high98.4Very high21 Ų2139.7 Ų39.713%0.12724%0.237CC..  trans-126.1158.9-175.9-690000110.9V185 H186 V188 I213 T244V185-V242 HydrophobicContact CG1-CB 4.22Å; V185-V242 HydrophobicContact CG1-CG1 3.59Å; V185-V242 HydrophobicContact CG1-CG2 3.59Å; H186-V242 PolarHBondContact O-N 3.15Å; V188-V242 VanDerWaalsContact CG2-O 3.32Å; V188-V242 WeakPolarHBondContact CG2-O 3.31Å; I213-V242 HydrophobicContact CG1-CG1 4.38Å; I213-V242 HydrophobicContact CG2-CG1 4.21Å; V242-T244 PolarHBondContact O-N 2.88Å
243P98.3Very high98.5Very high61 Ų6135.8 Ų35.840%0.39622%0.217SC..SBendtrans-7951.5-171.534.6-38.8000113F210F210-P243 HydrophobicContact CD1-CB 4.33Å
244T98.5Very high98.5Very high41 Ų4132.1 Ų32.125%0.25218%0.179SC..  trans-112.6141172.548.90000109.4S187 V188 V242S187-T244 WeakPolarHBondContact CB-O 3.44Å; S187-T244 WeakPolarHBondContact OG-CB 3.04Å; S187-T244 PolarHBondContact OG-O 2.89Å; S187-T244 PolarHBondContact OG-OG1 3.35Å; V188-T244 WeakPolarHBondContact CG2-O 3.37Å; V188-T244 PolarHBondContact N-O 3.47Å; V242-T244 PolarHBondContact O-N 2.88Å
245P97.6Very high98.5Very high82 Ų8232.9 Ų32.953%0.53218%0.18SC..SBendtrans-73-30.5-173.728.9-34.8000112.9
246D98.8Very high98.5Very high7 Ų732.5 Ų32.54%0.03718%0.178CC..SBendtrans-164.1174.1179.8-165.624000111T52 H53 S187 N324 E325T52-D246 HydrophobicContact CG2-CB 3.3Å; T52-D246 WeakPolarHBondContact CG2-OD2 3.48Å; H53-D246 IonicContact CE1-OD2 2.77Å; H53-D246 PolarHBondContact CE1-OD2 2.98Å; H53-D246 IonicContact NE2-OD2 3.23Å; S187-D246 VanDerWaalsContact CB-CA 3.47Å; S187-D246 WeakPolarHBondContact OG-CA 3.49Å; S187-D246 PolarHBondContact OG-N 2.83Å; S187-D246 PolarHBondContact OG-O 3.06Å; D246-N324 PolarHBondContact OD1-ND2 2.88Å; D246-N324 PolarHBondContact OD1-OD1 3.19Å; D246-E325 WeakPolarHBondContact OD1-CG 3.25Å
247V98.9Very high98.6Very high3 Ų335.1 Ų35.12%0.01819%0.185CC..  trans67.9133.5-168.4-1780000111.9S187 S291 F294 W321 D323 N324S187-V247 WeakPolarHBondContact CB-O 3.29Å; S187-V247 PolarHBondContact OG-O 3.5Å; V247-S291 WeakPolarHBondContact CB-O 3.3Å; V247-S291 VanDerWaalsContact CG1-O 3.3Å; V247-S291 WeakPolarHBondContact CG1-O 3.46Å; V247-S291 WeakPolarHBondContact CG2-O 3.15Å; V247-F294 HydrophobicContact CG1-CB 3.99Å; V247-F294 HydrophobicContact CG1-CD2 4.49Å; V247-F294 HydrophobicContact CG2-CB 4.15Å; V247-W321 HydrophobicContact CG1-CE3 3.92Å; V247-D323 HydrophobicContact CG2-CB 4.32Å; V247-N324 VanDerWaalsContact C-OD1 3.31Å; V247-N324 PolarHBondContact N-OD1 2.96Å
248S98.9Very high98.6Very high2 Ų240.1 Ų40.11%0.01420%0.202CC..EExtended strand (participates in β ladder)trans-132.6165.9-179.8-63.80000109.6V185 H186 S187 Y322 N324V185-S248 WeakPolarHBondContact O-CA 3.34Å; H186-S248 VanDerWaalsContact CA-OG 3.31Å; H186-S248 WeakPolarHBondContact CA-OG 3.46Å; H186-S248 PolarHBondContact CE1-OG 3.07Å; H186-S248 VanDerWaalsContact CG-OG 3.3Å; H186-S248 PolarHBondContact ND1-OG 3.16Å; H186-S248 VanDerWaalsContact ND1-OG 3.14Å; S187-S248 PolarHBondContact N-OG 3.47Å; S248-Y322 VanDerWaalsContact CB-CE1 3.48Å; S248-Y322 VanDerWaalsContact CB-OH 3.31Å; S248-Y322 WeakPolarHBondContact CB-OH 3Å; S248-Y322 PolarHBondContact N-O 3.43Å; S248-Y322 VanDerWaalsContact O-CD1 3.3Å; S248-Y322 WeakPolarHBondContact O-CD1 3.34Å; S248-Y322 PolarHBondContact O-N 3.12Å; S248-N324 WeakPolarHBondContact CB-OD1 3.21Å; S248-N324 PolarHBondContact N-OD1 3.47Å; S248-N324 PolarHBondContact OG-OD1 3.32Å
249V98.9Very high98.7Very high23 Ų2340.6 Ų40.614%0.13921%0.21CC..EExtended strand (participates in β ladder)trans-132.3140.8178.561.60000110.6T184 V185 V319 S320 W321T184-V249 CarbonylContact C-O 3.59Å; T184-V249 WeakPolarHBondContact CA-O 3.49Å; T184-V249 WeakPolarHBondContact CB-O 3.43Å; T184-V249 PolarHBondContact OG1-O 2.91Å; V185-V249 HydrophobicContact CB-CG1 3.71Å; V185-V249 HydrophobicContact CG2-CG1 4.34Å; V185-V249 PolarHBondContact N-O 3.31Å; V185-V249 PolarHBondContact O-N 3.11Å; V249-V319 HydrophobicContact CG2-CG1 3.42Å; V249-V319 VanDerWaalsContact CG2-CG1 3.42Å; V249-S320 CarbonylContact C-O 3.55Å; V249-S320 WeakPolarHBondContact CA-O 3.25Å; V249-W321 HydrophobicContact CB-CD2 4.06Å; V249-W321 HydrophobicContact CB-CE3 3.62Å; V249-W321 HydrophobicContact CB-CH2 4.26Å; V249-W321 HydrophobicContact CB-CZ3 3.72Å; V249-W321 HydrophobicContact CG1-CE3 4.47Å; V249-W321 HydrophobicContact CG1-CH2 4.41Å; V249-W321 HydrophobicContact CG1-CZ3 4.08Å; V249-W321 HydrophobicContact CG2-CD2 4.04Å; V249-W321 HydrophobicContact CG2-CE3 4.12Å; V249-W321 HydrophobicContact CG2-CZ2 4.48Å; V249-W321 HydrophobicContact CG2-CZ3 4.36Å
250V98.9Very high98.7Very high0 Ų040.6 Ų40.60%021%0.21CC..EExtended strand (participates in β ladder)trans-99.3130.7169.5164.50000108.5T160 C163 L164 M182 L252 V319 S320 Y322T160-V250 HydrophobicContact CG2-CG2 4.05Å; C163-V250 HydrophobicContact CB-CG2 4.11Å; L164-V250 HydrophobicContact CB-CG1 4.48Å; L164-V250 HydrophobicContact CD1-CG1 3.9Å; M182-V250 HydrophobicContact CG-CG1 3.83Å; V250-L252 HydrophobicContact CG1-CB 4.46Å; V250-V319 CarbonylContact O-C 3.59Å; V250-V319 WeakPolarHBondContact O-CA 3.23Å; V250-S320 PolarHBondContact N-O 3.13Å; V250-S320 PolarHBondContact O-N 3.3Å; V250-Y322 HydrophobicContact CG2-CD1 4.3Å; V250-Y322 HydrophobicContact CG2-CE1 3.75Å
251D98.7Very high98.7Very high40 Ų4040.7 Ų40.721%0.21422%0.216CC..EExtended strand (participates in β ladder)trans-105.9114.5160166.8-10.8000107.1M182 T183 T253 K317M182-D251 CarbonylContact C-O 3.56Å; M182-D251 VanDerWaalsContact CA-O 3.23Å; M182-D251 WeakPolarHBondContact CA-O 3.43Å; T183-D251 PolarHBondContact N-O 3.45Å; T183-D251 PolarHBondContact O-N 3.39Å; D251-T253 PolarHBondContact OD1-N 2.99Å; D251-T253 PolarHBondContact OD1-OG1 3.44Å; D251-K317 WeakPolarHBondContact OD1-CG 3.16Å; D251-K317 IonicContact OD1-NZ 2.73Å; D251-K317 PolarHBondContact OD1-NZ 2.74Å; D251-K317 IonicContact OD2-NZ 2.69Å; D251-K317 PolarHBondContact OD2-NZ 2.95Å
252L98.9Very high98.7Very high0 Ų039.4 Ų39.40%021%0.211CC..EExtended strand (participates in β ladder)trans-104.5110169.3174.262.3000109.2L164 L167 L235 V250 C254 K317 L318L164-L252 HydrophobicContact CD1-CB 4.04Å; L164-L252 HydrophobicContact CD1-CD1 4.14Å; L164-L252 HydrophobicContact CD1-CD2 3.91Å; L164-L252 HydrophobicContact CD1-CG 4.24Å; L167-L252 HydrophobicContact CD2-CB 4.34Å; L167-L252 HydrophobicContact CD2-CD2 4.36Å; L235-L252 HydrophobicContact CD2-CD1 3.99Å; V250-L252 HydrophobicContact CG1-CB 4.46Å; L252-C254 HydrophobicContact CD1-CB 4.2Å; L252-C254 HydrophobicContact CG-CB 4.13Å; L252-K317 CarbonylContact O-C 3.59Å; L252-K317 WeakPolarHBondContact O-CA 3.48Å; L252-L318 HydrophobicContact CB-CB 4.5Å; L252-L318 PolarHBondContact N-O 3.01Å; L252-L318 PolarHBondContact O-N 3.04Å
253T98.9Very high98.7Very high30 Ų3043.6 Ų43.618%0.18423%0.23CC..EExtended strand (participates in β ladder)trans-96.8113.9168.7-54.50000108.8G180 L181 D251 F315 V316 K317G180-T253 CarbonylContact C-O 3.22Å; G180-T253 WeakPolarHBondContact CA-O 3.39Å; L181-T253 PolarHBondContact N-O 3.36Å; L181-T253 PolarHBondContact O-N 2.64Å; D251-T253 PolarHBondContact OD1-N 2.99Å; D251-T253 PolarHBondContact OD1-OG1 3.44Å; T253-F315 HydrophobicContact CG2-CE1 3.88Å; T253-F315 HydrophobicContact CG2-CE2 4.12Å; T253-F315 HydrophobicContact CG2-CZ 3.48Å; T253-F315 VanDerWaalsContact CG2-CZ 3.48Å; T253-V316 CarbonylContact C-O 3.42Å; T253-V316 WeakPolarHBondContact CA-O 3.27Å; T253-K317 PolarHBondContact OG1-NZ 3.02Å
254C98.8Very high98.7Very high0 Ų044.9 Ų44.90%023%0.231CC..EExtended strand (participates in β ladder)trans-137.2155.1-173.465.10000113.4I177 E179 L252 V316I177-C254 HydrophobicContact CG2-CB 4.28Å; E179-C254 WeakPolarHBondContact O-CA 3.39Å; E179-C254 WeakPolarHBondContact O-CB 3.32Å; L252-C254 HydrophobicContact CD1-CB 4.2Å; L252-C254 HydrophobicContact CG-CB 4.13Å; C254-V316 PolarHBondContact N-O 2.97Å; C254-V316 PolarHBondContact O-N 2.8Å
255R98.9Very high98.7Very high92 Ų9243 Ų4335%0.34722%0.219SC..EExtended strand (participates in β ladder)trans-101.6126171.3-169.7164.757.583.2-3.8110.2V178 E179 H314 F315V178-R255 PolarHBondContact N-O 3.24Å; E179-R255 HydrophobicContact CG-CB 4.13Å; E179-R255 PolarHBondContact O-N 3.15Å; E179-R255 IonicContact OE1-CZ 2.62Å; E179-R255 VanDerWaalsContact OE1-CZ 3.23Å; E179-R255 IonicContact OE1-NE 3.32Å; E179-R255 PolarHBondContact OE1-NE 2.85Å; E179-R255 IonicContact OE1-NH2 3.44Å; E179-R255 PolarHBondContact OE1-NH2 2.86Å; R255-H314 CarbonylContact C-O 3.43Å; R255-H314 WeakPolarHBondContact CA-O 3.17Å; R255-F315 HydrophobicContact CB-CD2 4.09Å
256L98.9Very high98.8Very high1 Ų141.3 Ų41.31%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-91.7144.4-179.3-51.5-178.9000111.2I171 Y175 G176 K258 A260 I265 H314 V316I171-L256 HydrophobicContact CG2-CD2 3.62Å; Y175-L256 HydrophobicContact CG-CD1 4.35Å; G176-L256 CarbonylContact O-C 3.53Å; G176-L256 VanDerWaalsContact O-CA 3.25Å; G176-L256 WeakPolarHBondContact O-CA 3.41Å; L256-K258 WeakPolarHBondContact CB-O 3.11Å; L256-A260 HydrophobicContact CD1-CB 4.32Å; L256-I265 HydrophobicContact CD1-CD1 3.96Å; L256-H314 PolarHBondContact N-O 3.21Å; L256-H314 PolarHBondContact O-ND1 3.12Å; L256-V316 HydrophobicContact CD1-CG1 4.2Å; L256-V316 HydrophobicContact CD1-CG2 4.22Å; L256-V316 HydrophobicContact CD2-CG2 4.34Å; L256-V316 HydrophobicContact CG-CG2 4.24Å
257E98.8Very high98.8Very high128 Ų12845.8 Ų45.860%0.59822%0.224SC*.SBendtrans-74.8-54.2174.2-177.767.4-153.100110.2Y175 G176 V178 H314Y175-E257 WeakPolarHBondContact O-CB 3.45Å; Y175-E257 PolarHBondContact O-N 3.41Å; G176-E257 PolarHBondContact O-N 2.9Å; V178-E257 HydrophobicContact CG2-CB 4Å; V178-E257 VanDerWaalsContact CG2-OE2 3.29Å; V178-E257 WeakPolarHBondContact CG2-OE2 3.46Å; E257-H314 PolarHBondContact O-CE1 3.21Å; E257-H314 PolarHBondContact O-ND1 3.22Å
258K98.8Very high98.8Very high122 Ų12246.7 Ų46.753%0.5323%0.229SC..SBendtrans-85.6134.2173-59.9178.3-169162.60109.7T174 Y175 L256T174-K258 PolarHBondContact O-NZ 2.86Å; Y175-K258 WeakPolarHBondContact O-CB 3.34Å; Y175-K258 PolarHBondContact O-N 2.86Å; L256-K258 WeakPolarHBondContact CB-O 3.11Å
259P98.7Very high98.8Very high76 Ų7646.6 Ų46.649%0.49423%0.228SC..  trans-67.3147.6177.127.8-32.4000111.2P313P259-P313 CarbonylContact C-O 3.56Å; P259-P313 VanDerWaalsContact CA-O 3.29Å; P259-P313 WeakPolarHBondContact CA-O 3.46Å; P259-P313 HydrophobicContact CB-CB 3.65Å
260A98.7Very high98.8Very high2 Ų249.3 Ų49.32%0.01724%0.239CC..  trans-147.3145.7173.800000111.6Y175 L256 Q264 I265 P313Y175-A260 HydrophobicContact CD1-CB 3.77Å; Y175-A260 HydrophobicContact CE1-CB 3.47Å; Y175-A260 VanDerWaalsContact CE1-CB 3.47Å; Y175-A260 HydrophobicContact CG-CB 4.44Å; L256-A260 HydrophobicContact CD1-CB 4.32Å; A260-Q264 HydrophobicContact CB-CB 4.42Å; A260-I265 HydrophobicContact CB-CD1 4.22Å; A260-I265 HydrophobicContact CB-CG1 3.93Å; A260-P313 PolarHBondContact N-O 3Å; A260-P313 WeakPolarHBondContact O-CA 3.41Å
261T98.7Very high98.8Very high71 Ų7155 Ų5544%0.43626%0.263SS..  trans-73.7158.6162.468.70000109.9E263 Q264 I265T261-E263 PolarHBondContact O-N 2.75Å; T261-Q264 WeakPolarHBondContact O-CB 3.25Å; T261-Q264 PolarHBondContact O-N 3.33Å; T261-Q264 VanDerWaalsContact O-N 3.17Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.37Å; T261-Q264 PolarHBondContact OG1-N 2.83Å; T261-I265 PolarHBondContact O-N 2.88Å
262Y98.7Very high98.8Very high25 Ų2553.6 Ų53.610%0.09826%0.257CS..Hα-helixtrans-63.6-33.2177.4-168-115.4000111.6Q264 I265 K266 A305 G308 S310 L318Y262-Q264 PolarHBondContact O-N 3.38Å; Y262-I265 WeakPolarHBondContact O-CB 3.3Å; Y262-I265 PolarHBondContact O-N 2.96Å; Y262-I265 VanDerWaalsContact O-N 3.17Å; Y262-K266 HydrophobicContact CD1-CD 4.08Å; Y262-K266 HydrophobicContact CD1-CG 4.25Å; Y262-K266 HydrophobicContact CE1-CD 3.86Å; Y262-K266 HydrophobicContact CE1-CG 4Å; Y262-K266 WeakPolarHBondContact O-CG 3.21Å; Y262-K266 PolarHBondContact O-N 2.8Å; Y262-A305 VanDerWaalsContact CE1-O 3.22Å; Y262-A305 WeakPolarHBondContact CE1-O 3.21Å; Y262-A305 PolarHBondContact OH-O 3.37Å; Y262-G308 WeakPolarHBondContact OH-CA 3.44Å; Y262-G308 PolarHBondContact OH-N 3.38Å; Y262-S310 WeakPolarHBondContact CB-OG 3.42Å; Y262-S310 WeakPolarHBondContact CD2-OG 3.23Å; Y262-L318 HydrophobicContact CE2-CD2 4.08Å
263E98.6Very high98.8Very high110 Ų11054.9 Ų54.951%0.51427%0.266SS..Hα-helixtrans-59.3-42.7172.9-75.254.3-127.900112.2T261 I265 K266 E267T261-E263 PolarHBondContact O-N 2.75Å; E263-I265 VanDerWaalsContact C-N 3.32Å; E263-I265 PolarHBondContact O-N 3.43Å; E263-K266 PolarHBondContact O-N 2.92Å; E263-K266 WeakPolarHBondContact OE1-CE 3.3Å; E263-K266 IonicContact OE1-NZ 2.99Å; E263-K266 PolarHBondContact OE1-NZ 2.91Å; E263-E267 WeakPolarHBondContact O-CB 3.48Å; E263-E267 PolarHBondContact O-N 3.13Å
264Q98.8Very high98.7Very high88 Ų8860 Ų6041%0.41129%0.288SS..Hα-helixtrans-65.3-38175.8-72.8170.8-34.100111.5Y175 A260 T261 Y262 E267 T268Y175-Q264 PolarHBondContact OH-O 2.98Å; A260-Q264 HydrophobicContact CB-CB 4.42Å; T261-Q264 WeakPolarHBondContact O-CB 3.25Å; T261-Q264 PolarHBondContact O-N 3.33Å; T261-Q264 VanDerWaalsContact O-N 3.17Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.37Å; T261-Q264 PolarHBondContact OG1-N 2.83Å; Y262-Q264 PolarHBondContact O-N 3.38Å; Q264-E267 PolarHBondContact O-N 3.26Å; Q264-T268 WeakPolarHBondContact O-CB 3.01Å; Q264-T268 PolarHBondContact O-N 2.91Å; Q264-T268 PolarHBondContact O-OG1 2.65Å
265I98.8Very high98.7Very high0 Ų061.8 Ų61.80%030%0.3CS..Hα-helixtrans-65.9-45.6176.5-65.4168.5000110.5I171 Y175 L256 A260 T261 Y262 E263 E267 T268 M269 V316 L318I171-I265 HydrophobicContact CD1-CG2 3.76Å; Y175-I265 HydrophobicContact CE2-CG1 3.99Å; L256-I265 HydrophobicContact CD1-CD1 3.96Å; A260-I265 HydrophobicContact CB-CD1 4.22Å; A260-I265 HydrophobicContact CB-CG1 3.93Å; T261-I265 PolarHBondContact O-N 2.88Å; Y262-I265 WeakPolarHBondContact O-CB 3.3Å; Y262-I265 PolarHBondContact O-N 2.96Å; Y262-I265 VanDerWaalsContact O-N 3.17Å; E263-I265 VanDerWaalsContact C-N 3.32Å; E263-I265 PolarHBondContact O-N 3.43Å; I265-E267 PolarHBondContact O-N 3.48Å; I265-T268 WeakPolarHBondContact O-CB 3.31Å; I265-T268 PolarHBondContact O-N 2.88Å; I265-M269 PolarHBondContact O-N 3.22Å; I265-V316 HydrophobicContact CD1-CB 4.29Å; I265-V316 HydrophobicContact CD1-CG1 3.72Å; I265-V316 HydrophobicContact CD1-CG2 4.27Å; I265-L318 HydrophobicContact CG2-CD1 4.5Å; I265-L318 HydrophobicContact CG2-CD2 3.79Å
266K98.8Very high98.6Very high47 Ų4767 Ų6720%0.20433%0.325CS..Hα-helixtrans-56.1-49.7173.8-75.4-174.8-66.6-170.80111.4Y262 E263 T268 M269 K270 Y284 F303 A305Y262-K266 HydrophobicContact CD1-CD 4.08Å; Y262-K266 HydrophobicContact CD1-CG 4.25Å; Y262-K266 HydrophobicContact CE1-CD 3.86Å; Y262-K266 HydrophobicContact CE1-CG 4Å; Y262-K266 WeakPolarHBondContact O-CG 3.21Å; Y262-K266 PolarHBondContact O-N 2.8Å; E263-K266 PolarHBondContact O-N 2.92Å; E263-K266 WeakPolarHBondContact OE1-CE 3.3Å; E263-K266 IonicContact OE1-NZ 2.99Å; E263-K266 PolarHBondContact OE1-NZ 2.91Å; K266-T268 VanDerWaalsContact C-N 3.29Å; K266-T268 PolarHBondContact O-N 2.8Å; K266-M269 PolarHBondContact O-N 2.99Å; K266-K270 WeakPolarHBondContact O-CB 3.37Å; K266-K270 PolarHBondContact O-N 3.08Å; K266-Y284 HydrophobicContact CB-CE2 4.29Å; K266-Y284 WeakPolarHBondContact O-CE2 3.44Å; K266-F303 HydrophobicContact CG-CE1 4.25Å; K266-A305 HydrophobicContact CD-CB 3.83Å; K266-A305 HydrophobicContact CG-CB 4.03Å
267E98.8Very high98.5Very high101 Ų10172.8 Ų72.847%0.47235%0.352SS..Hα-helixtrans-60.1-39.8178.5-169.4-172.9174.600111.9E263 Q264 I265 K270 K271E263-E267 WeakPolarHBondContact O-CB 3.48Å; E263-E267 PolarHBondContact O-N 3.13Å; Q264-E267 PolarHBondContact O-N 3.26Å; I265-E267 PolarHBondContact O-N 3.48Å; E267-K270 PolarHBondContact O-N 2.63Å; E267-K271 VanDerWaalsContact CD-NZ 3.31Å; E267-K271 HydrophobicContact CG-CD 4.31Å; E267-K271 WeakPolarHBondContact O-CB 3.41Å; E267-K271 VanDerWaalsContact O-CG 3.29Å; E267-K271 WeakPolarHBondContact O-CG 3.42Å; E267-K271 PolarHBondContact O-N 3.02Å; E267-K271 WeakPolarHBondContact OE1-CE 3.35Å; E267-K271 IonicContact OE1-NZ 2.64Å; E267-K271 PolarHBondContact OE1-NZ 3.08Å
268T98.8Very high98.4Very high22 Ų2267.1 Ų67.114%0.13533%0.326CS..Hα-helixtrans-63.2-45.9176.4-64.10000111.8V170 T174 Y175 Q264 I265 K266 K271 A272V170-T268 HydrophobicContact CG1-CG2 3.73Å; T174-T268 HydrophobicContact CG2-CG2 4.16Å; Y175-T268 HydrophobicContact CE2-CG2 4.16Å; Y175-T268 PolarHBondContact OH-OG1 3.22Å; Q264-T268 WeakPolarHBondContact O-CB 3.01Å; Q264-T268 PolarHBondContact O-N 2.91Å; Q264-T268 PolarHBondContact O-OG1 2.65Å; I265-T268 WeakPolarHBondContact O-CB 3.31Å; I265-T268 PolarHBondContact O-N 2.88Å; K266-T268 VanDerWaalsContact C-N 3.29Å; K266-T268 PolarHBondContact O-N 2.8Å; T268-K271 PolarHBondContact O-N 3.14Å; T268-A272 PolarHBondContact O-N 3.07Å
269M98.8Very high98.4Very high0 Ų069.5 Ų69.50%034%0.336CS..Hα-helixtrans-67.2-39177.9-70.1-53.6-5600112.3L167 V170 I171 I265 K266 A272 S273 I282 Y284 F303L167-M269 HydrophobicContact CD1-CE 3.7Å; L167-M269 HydrophobicContact CD1-SD 3.77Å; V170-M269 HydrophobicContact CB-SD 3.94Å; V170-M269 HydrophobicContact CG1-SD 3.55Å; V170-M269 VanDerWaalsContact CG1-SD 3.55Å; I171-M269 HydrophobicContact CD1-CG 4.34Å; I171-M269 HydrophobicContact CD1-SD 3.99Å; I171-M269 HydrophobicContact CG1-SD 4.26Å; I265-M269 PolarHBondContact O-N 3.22Å; K266-M269 PolarHBondContact O-N 2.99Å; M269-A272 WeakPolarHBondContact O-CB 3.22Å; M269-A272 PolarHBondContact O-N 3.13Å; M269-S273 PolarHBondContact O-N 3.07Å; M269-I282 HydrophobicContact CE-CD1 4.48Å; M269-I282 HydrophobicContact CE-CG2 4.07Å; M269-Y284 HydrophobicContact CB-CD2 4.1Å; M269-Y284 HydrophobicContact CB-CE2 4.48Å; M269-F303 HydrophobicContact CB-CB 4.37Å; M269-F303 HydrophobicContact CB-CD1 3.81Å; M269-F303 HydrophobicContact CB-CD2 4.37Å; M269-F303 HydrophobicContact CB-CE1 4.13Å; M269-F303 HydrophobicContact CB-CG 3.92Å; M269-F303 HydrophobicContact CE-CB 4.1Å; M269-F303 HydrophobicContact CE-CD2 4.29Å; M269-F303 HydrophobicContact CE-CG 4.3Å; M269-F303 HydrophobicContact CG-CD1 4.13Å; M269-F303 HydrophobicContact CG-CD2 3.86Å; M269-F303 HydrophobicContact CG-CE1 4.21Å; M269-F303 HydrophobicContact CG-CE2 3.97Å; M269-F303 HydrophobicContact CG-CG 3.93Å; M269-F303 HydrophobicContact CG-CZ 4.14Å
270K98.7Very high98.3Very high81 Ų8167 Ų6735%0.35232%0.324SS..Hα-helixtrans-61.4-49.1174.6-173.6171.6-174167.50111.5K266 E267 A272 S273 E274 Y284K266-K270 WeakPolarHBondContact O-CB 3.37Å; K266-K270 PolarHBondContact O-N 3.08Å; E267-K270 PolarHBondContact O-N 2.63Å; K270-A272 VanDerWaalsContact C-N 3.27Å; K270-A272 PolarHBondContact O-N 2.96Å; K270-S273 PolarHBondContact O-N 3.48Å; K270-S273 VanDerWaalsContact O-N 3.11Å; K270-S273 PolarHBondContact O-OG 2.92Å; K270-E274 VanDerWaalsContact CE-OE1 3.27Å; K270-E274 WeakPolarHBondContact CE-OE1 3.38Å; K270-E274 WeakPolarHBondContact O-CG 3.34Å; K270-E274 PolarHBondContact O-N 2.64Å; K270-Y284 HydrophobicContact CB-CD1 4.12Å; K270-Y284 HydrophobicContact CB-CD2 3.91Å; K270-Y284 HydrophobicContact CB-CE1 4.18Å; K270-Y284 HydrophobicContact CB-CE2 3.99Å; K270-Y284 HydrophobicContact CB-CG 3.99Å; K270-Y284 HydrophobicContact CD-CD1 4.23Å; K270-Y284 HydrophobicContact CD-CE1 3.96Å; K270-Y284 HydrophobicContact CG-CD1 4.03Å; K270-Y284 HydrophobicContact CG-CE1 4.2Å; K270-Y284 HydrophobicContact CG-CG 4.28Å
271K98.7Very high98.3Very high120 Ų12067.6 Ų67.652%0.52233%0.327SS..Hα-helixtrans-57.3-40.5174.7-76.1173.2-177.3166.40112E267 T268 S275E267-K271 VanDerWaalsContact CD-NZ 3.31Å; E267-K271 HydrophobicContact CG-CD 4.31Å; E267-K271 WeakPolarHBondContact O-CB 3.41Å; E267-K271 VanDerWaalsContact O-CG 3.29Å; E267-K271 WeakPolarHBondContact O-CG 3.42Å; E267-K271 PolarHBondContact O-N 3.02Å; E267-K271 WeakPolarHBondContact OE1-CE 3.35Å; E267-K271 IonicContact OE1-NZ 2.64Å; E267-K271 PolarHBondContact OE1-NZ 3.08Å; T268-K271 PolarHBondContact O-N 3.14Å; K271-S275 PolarHBondContact O-N 2.67Å
272A98.7Very high98.3Very high10 Ų1064.4 Ų64.48%0.08331%0.307CS..Hα-helixtrans-62.1-49.8174.900000111.1V170 T268 M269 K270 E274 S275 W278 I282V170-A272 HydrophobicContact CB-CB 4.44Å; V170-A272 HydrophobicContact CG1-CB 3.83Å; V170-A272 HydrophobicContact CG2-CB 3.72Å; T268-A272 PolarHBondContact O-N 3.07Å; M269-A272 WeakPolarHBondContact O-CB 3.22Å; M269-A272 PolarHBondContact O-N 3.13Å; K270-A272 VanDerWaalsContact C-N 3.27Å; K270-A272 PolarHBondContact O-N 2.96Å; A272-E274 VanDerWaalsContact C-N 3.26Å; A272-E274 PolarHBondContact O-N 2.86Å; A272-S275 WeakPolarHBondContact O-CB 3.32Å; A272-S275 PolarHBondContact O-N 2.84Å; A272-S275 PolarHBondContact O-OG 2.99Å; A272-W278 WeakPolarHBondContact O-CB 3.3Å; A272-I282 HydrophobicContact CB-CD1 4.41Å
273S98.6Very high98.3Very high26 Ų2666.2 Ų66.218%0.18232%0.316CS..Hα-helixtrans-60.6-30.9-18068.90000114.3M269 K270 S275 Y284M269-S273 PolarHBondContact O-N 3.07Å; K270-S273 PolarHBondContact O-N 3.48Å; K270-S273 VanDerWaalsContact O-N 3.11Å; K270-S273 PolarHBondContact O-OG 2.92Å; S273-S275 VanDerWaalsContact C-N 3.35Å; S273-Y284 WeakPolarHBondContact OG-CB 3.34Å
274E98.4Very high98.3Very high139 Ų13962.5 Ų62.565%0.6530%0.298SS*.Hα-helixtrans-85.9-10.2179.6-67.4172.6176.200112.5K270 A272K270-E274 VanDerWaalsContact CE-OE1 3.27Å; K270-E274 WeakPolarHBondContact CE-OE1 3.38Å; K270-E274 WeakPolarHBondContact O-CG 3.34Å; K270-E274 PolarHBondContact O-N 2.64Å; A272-E274 VanDerWaalsContact C-N 3.26Å; A272-E274 PolarHBondContact O-N 2.86Å
275S98.1Very high98.3Very high36 Ų3659.2 Ų59.225%0.25228%0.284SS..SBendtrans-76.5153.2-177.678.90000112.7K271 A272 S273 E277 W278 K279K271-S275 PolarHBondContact O-N 2.67Å; A272-S275 WeakPolarHBondContact O-CB 3.32Å; A272-S275 PolarHBondContact O-N 2.84Å; A272-S275 PolarHBondContact O-OG 2.99Å; S273-S275 VanDerWaalsContact C-N 3.35Å; S275-E277 VanDerWaalsContact C-N 3.25Å; S275-E277 PolarHBondContact O-N 2.8Å; S275-W278 PolarHBondContact O-N 2.9Å; S275-W278 VanDerWaalsContact OG-CD1 3.3Å; S275-W278 PolarHBondContact OG-N 2.85Å; S275-K279 PolarHBondContact O-N 2.91Å
276K97.1Very high98.3Very high202 Ų20264.9 Ų64.988%0.87831%0.31SS*.SBendtrans-64.7-30.4174.6-68.2-177.7-179.4177.40112.9W278K276-W278 VanDerWaalsContact C-N 3.34Å
277E96.1Very high98.3Very high122 Ų12268.3 Ų68.357%0.5733%0.331SS*.SBendtrans-64.3-39.4-178.4-178.7-179.2177.800111.9S275S275-E277 VanDerWaalsContact C-N 3.25Å; S275-E277 PolarHBondContact O-N 2.8Å
278W97.8Very high98.3Very high10 Ų1072.1 Ų72.14%0.03835%0.349CS..SBendtrans-103.97.8-174.1-63.5106.4000114.2G140 V141 P166 K169 V170 A272 S275 K276 G280 I281 I282G140-W278 VanDerWaalsContact O-CH2 3.25Å; G140-W278 WeakPolarHBondContact O-CH2 3.15Å; G140-W278 WeakPolarHBondContact O-CZ3 3.5Å; V141-W278 HydrophobicContact CG2-CH2 4.07Å; V141-W278 HydrophobicContact CG2-CZ3 4.17Å; P166-W278 HydrophobicContact CB-CE3 4.18Å; P166-W278 HydrophobicContact CB-CH2 4.15Å; P166-W278 HydrophobicContact CB-CZ3 3.58Å; P166-W278 HydrophobicContact CG-CZ3 4.11Å; K169-W278 HydrophobicContact CB-CH2 4.17Å; K169-W278 HydrophobicContact CB-CZ2 4.34Å; K169-W278 HydrophobicContact CD-CH2 3.83Å; K169-W278 HydrophobicContact CD-CZ2 3.91Å; K169-W278 HydrophobicContact CG-CH2 4.18Å; K169-W278 HydrophobicContact CG-CZ2 4.03Å; V170-W278 HydrophobicContact CG2-CZ2 3.9Å; A272-W278 WeakPolarHBondContact O-CB 3.3Å; S275-W278 PolarHBondContact O-N 2.9Å; S275-W278 VanDerWaalsContact OG-CD1 3.3Å; S275-W278 PolarHBondContact OG-N 2.85Å; K276-W278 VanDerWaalsContact C-N 3.34Å; W278-G280 PolarHBondContact O-N 2.79Å; W278-I281 HydrophobicContact CE3-CB 4.28Å; W278-I281 HydrophobicContact CE3-CG2 3.91Å; W278-I281 HydrophobicContact CZ3-CG2 4.17Å; W278-I281 WeakPolarHBondContact O-CA 3.36Å; W278-I281 WeakPolarHBondContact O-CB 3.45Å; W278-I281 PolarHBondContact O-N 2.7Å; W278-I282 HydrophobicContact CB-CB 4.13Å; W278-I282 HydrophobicContact CB-CD1 4.12Å; W278-I282 HydrophobicContact CB-CG1 4.12Å; W278-I282 HydrophobicContact CD2-CD1 3.48Å; W278-I282 VanDerWaalsContact CD2-CD1 3.48Å; W278-I282 HydrophobicContact CD2-CG1 4.07Å; W278-I282 HydrophobicContact CE3-CD1 3.52Å; W278-I282 HydrophobicContact CE3-CG1 3.75Å; W278-I282 HydrophobicContact CG-CD1 3.77Å; W278-I282 HydrophobicContact CG-CG1 4.26Å; W278-I282 HydrophobicContact CZ3-CD1 4.08Å; W278-I282 HydrophobicContact CZ3-CG1 4.44Å; W278-I282 PolarHBondContact O-N 3.47Å; W278-I282 VanDerWaalsContact O-N 3.08Å
279K97.4Very high98.3Very high171 Ų17172.3 Ų72.374%0.74335%0.35SS*.THydrogen-bonded Turntrans-55123.3-177.7-176.1176.1-179.2177.50111.4S275 I281S275-K279 PolarHBondContact O-N 2.91Å; K279-I281 PolarHBondContact O-N 2.92Å
280G97Very high98.3Very high25 Ų2576.1 Ų76.126%0.25837%0.373SS..THydrogen-bonded Turntrans755.9-179.700000114.5W278 H299 R331W278-G280 PolarHBondContact O-N 2.79Å; G280-H299 VanDerWaalsContact C-CD2 3.43Å; G280-R331 PolarHBondContact O-NH1 3.49Å; G280-R331 PolarHBondContact O-NH2 2.96Å
281I98.8Very high98.3Very high14 Ų1473.7 Ų73.77%0.07237%0.366CS..THydrogen-bonded Turntrans-112.5-52.2177.3-59.2176.8000110.5M139 G140 P166 W278 K279 S300 S301M139-I281 HydrophobicContact CB-CD1 4.1Å; G140-I281 VanDerWaalsContact CA-CD1 3.48Å; P166-I281 HydrophobicContact CB-CG2 4.25Å; P166-I281 HydrophobicContact CG-CG2 3.88Å; W278-I281 HydrophobicContact CE3-CB 4.28Å; W278-I281 HydrophobicContact CE3-CG2 3.91Å; W278-I281 HydrophobicContact CZ3-CG2 4.17Å; W278-I281 WeakPolarHBondContact O-CA 3.36Å; W278-I281 WeakPolarHBondContact O-CB 3.45Å; W278-I281 PolarHBondContact O-N 2.7Å; K279-I281 PolarHBondContact O-N 2.92Å; I281-S300 PolarHBondContact O-N 3.42Å; I281-S301 PolarHBondContact O-N 3.45Å; I281-S301 VanDerWaalsContact O-N 3.13Å
282I98.8Very high98.3Very high3 Ų372.4 Ų72.42%0.01537%0.368CS..EExtended strand (participates in β ladder)trans-107.3134177.5-57.7-179.4000109.5P166 V170 M269 A272 W278 S301P166-I282 HydrophobicContact CB-CD1 3.75Å; P166-I282 HydrophobicContact CB-CG1 3.71Å; V170-I282 HydrophobicContact CG2-CD1 3.75Å; M269-I282 HydrophobicContact CE-CD1 4.48Å; M269-I282 HydrophobicContact CE-CG2 4.07Å; A272-I282 HydrophobicContact CB-CD1 4.41Å; W278-I282 HydrophobicContact CB-CB 4.13Å; W278-I282 HydrophobicContact CB-CD1 4.12Å; W278-I282 HydrophobicContact CB-CG1 4.12Å; W278-I282 HydrophobicContact CD2-CD1 3.48Å; W278-I282 VanDerWaalsContact CD2-CD1 3.48Å; W278-I282 HydrophobicContact CD2-CG1 4.07Å; W278-I282 HydrophobicContact CE3-CD1 3.52Å; W278-I282 HydrophobicContact CE3-CG1 3.75Å; W278-I282 HydrophobicContact CG-CD1 3.77Å; W278-I282 HydrophobicContact CG-CG1 4.26Å; W278-I282 HydrophobicContact CZ3-CD1 4.08Å; W278-I282 HydrophobicContact CZ3-CG1 4.44Å; W278-I282 PolarHBondContact O-N 3.47Å; W278-I282 VanDerWaalsContact O-N 3.08Å; I282-S301 CarbonylContact C-O 3.6Å; I282-S301 VanDerWaalsContact CA-O 3.29Å; I282-S301 WeakPolarHBondContact CA-O 3.06Å
283E98.8Very high98.3Very high63 Ų6376.5 Ų76.529%0.29439%0.389SS..EExtended strand (participates in β ladder)trans-120.8158.3167.1-177170.2-152.600109.3N297 H299 S301 I302 F303E283-N297 PolarHBondContact OE2-ND2 3.29Å; E283-H299 HydrophobicContact CB-CB 4.21Å; E283-H299 IonicContact OE2-CE1 2.82Å; E283-H299 PolarHBondContact OE2-CE1 2.77Å; E283-H299 IonicContact OE2-CG 2.88Å; E283-H299 IonicContact OE2-ND1 3.67Å; E283-H299 PolarHBondContact OE2-ND1 3.25Å; E283-S301 PolarHBondContact N-O 3.1Å; E283-I302 HydrophobicContact CB-CB 4.25Å; E283-I302 HydrophobicContact CB-CG1 3.93Å; E283-I302 HydrophobicContact CB-CG2 3.94Å; E283-I302 HydrophobicContact CG-CG1 4.49Å; E283-I302 HydrophobicContact CG-CG2 3.96Å; E283-I302 CarbonylContact O-C 3.59Å; E283-I302 WeakPolarHBondContact O-CA 3.23Å; E283-I302 WeakPolarHBondContact OE2-CG1 3.26Å; E283-F303 PolarHBondContact O-N 3.1Å
284Y98.9Very high98.3Very high33 Ų3375.8 Ų75.813%0.12938%0.383CS..EExtended strand (participates in β ladder)trans-131.8135.3-179.9173.9-85.4000108.8K266 M269 K270 S273 E286 F303 A305K266-Y284 HydrophobicContact CB-CE2 4.29Å; K266-Y284 WeakPolarHBondContact O-CE2 3.44Å; M269-Y284 HydrophobicContact CB-CD2 4.1Å; M269-Y284 HydrophobicContact CB-CE2 4.48Å; K270-Y284 HydrophobicContact CB-CD1 4.12Å; K270-Y284 HydrophobicContact CB-CD2 3.91Å; K270-Y284 HydrophobicContact CB-CE1 4.18Å; K270-Y284 HydrophobicContact CB-CE2 3.99Å; K270-Y284 HydrophobicContact CB-CG 3.99Å; K270-Y284 HydrophobicContact CD-CD1 4.23Å; K270-Y284 HydrophobicContact CD-CE1 3.96Å; K270-Y284 HydrophobicContact CG-CD1 4.03Å; K270-Y284 HydrophobicContact CG-CE1 4.2Å; K270-Y284 HydrophobicContact CG-CG 4.28Å; S273-Y284 WeakPolarHBondContact OG-CB 3.34Å; Y284-E286 HydrophobicContact CE1-CG 3.65Å; Y284-E286 VanDerWaalsContact CE1-OE1 3.3Å; Y284-E286 WeakPolarHBondContact CE1-OE1 3.36Å; Y284-E286 WeakPolarHBondContact OH-CG 3.49Å; Y284-E286 PolarHBondContact OH-OE1 2.8Å; Y284-F303 AromaticContact CD2-CD1 3.57Å; Y284-F303 HydrophobicContact CD2-CD1 3.57Å; Y284-F303 HydrophobicContact CD2-CE1 4.3Å; Y284-F303 HydrophobicContact CD2-CG 4.46Å; Y284-F303 AromaticContact CE2-CD1 3.67Å; Y284-F303 HydrophobicContact CE2-CD1 3.67Å; Y284-F303 AromaticContact CE2-CE1 3.94Å; Y284-F303 HydrophobicContact CE2-CE1 3.94Å; Y284-A305 HydrophobicContact CE1-CB 4.47Å; Y284-A305 HydrophobicContact CE2-CB 3.84Å; Y284-A305 WeakPolarHBondContact OH-CB 3.49Å
285T98.8Very high98.3Very high18 Ų1871.6 Ų71.611%0.1137%0.366CS..EExtended strand (participates in β ladder)trans-136.7147.7175.1-172.30000112D287 V289 F294 I302 F303 A305T285-D287 PolarHBondContact OG1-N 2.87Å; T285-D287 VanDerWaalsContact OG1-N 3.12Å; T285-V289 HydrophobicContact CG2-CG1 4.32Å; T285-V289 HydrophobicContact CG2-CG2 4.11Å; T285-F294 HydrophobicContact CG2-CZ 4.34Å; T285-I302 HydrophobicContact CG2-CG2 4.22Å; T285-F303 PolarHBondContact N-O 2.87Å; T285-A305 WeakPolarHBondContact O-CB 3.15Å; T285-A305 PolarHBondContact O-N 3.26Å
286E98.7Very high98.3Very high119 Ų11971.9 Ų71.956%0.55637%0.369SS*.  trans-114.50.5169.1-76170.5-162.900111.8Y284 A305Y284-E286 HydrophobicContact CE1-CG 3.65Å; Y284-E286 VanDerWaalsContact CE1-OE1 3.3Å; Y284-E286 WeakPolarHBondContact CE1-OE1 3.36Å; Y284-E286 WeakPolarHBondContact OH-CG 3.49Å; Y284-E286 PolarHBondContact OH-OE1 2.8Å; E286-A305 HydrophobicContact CG-CB 3.76Å
287D98.7Very high98.4Very high119 Ų11963.7 Ų63.764%0.63633%0.334SS*.SBendtrans-73.1151.9178.8-66.6-14.2000110.6T285 V289T285-D287 PolarHBondContact OG1-N 2.87Å; T285-D287 VanDerWaalsContact OG1-N 3.12Å; D287-V289 HydrophobicContact CB-CG1 3.87Å; D287-V289 PolarHBondContact O-N 2.89Å
288E98.4Very high98.5Very high181 Ų18159.7 Ų59.785%0.84632%0.32SS*.  trans-75.570.3174-65.6-71.7151.100110.5
289V98.7Very high98.6Very high26 Ų2661 Ų6116%0.15833%0.327CS..  trans-82.7157.9-174.8-66.80000113.2T285 D287 D293 F294 D304T285-V289 HydrophobicContact CG2-CG1 4.32Å; T285-V289 HydrophobicContact CG2-CG2 4.11Å; D287-V289 HydrophobicContact CB-CG1 3.87Å; D287-V289 PolarHBondContact O-N 2.89Å; V289-D293 WeakPolarHBondContact CA-OD2 3.35Å; V289-F294 HydrophobicContact CB-CE2 3.83Å; V289-F294 HydrophobicContact CB-CZ 3.76Å; V289-F294 HydrophobicContact CG1-CE2 4.46Å; V289-F294 HydrophobicContact CG1-CZ 3.93Å; V289-F294 HydrophobicContact CG2-CE2 3.73Å; V289-F294 HydrophobicContact CG2-CZ 3.65Å; V289-D304 WeakPolarHBondContact CG2-OD2 3.45Å
290V98.8Very high98.7Very high81 Ų8153.1 Ų53.149%0.49129%0.293SS..  trans-131.1174168.5-63.50000110.9T292 D293V290-T292 VanDerWaalsContact C-N 3.28Å; V290-T292 PolarHBondContact O-N 2.7Å; V290-T292 VanDerWaalsContact O-N 3.14Å; V290-D293 WeakPolarHBondContact CG2-OD2 3.31Å; V290-D293 PolarHBondContact N-OD2 3.27Å; V290-D293 WeakPolarHBondContact O-CB 3.49Å; V290-D293 PolarHBondContact O-N 2.91Å; V290-D293 VanDerWaalsContact O-N 3.09Å
291S98.8Very high98.7Very high30 Ų3051.9 Ų51.921%0.2128%0.28CS..G310 helixtrans-53.7-41-172.263.30000114V247 D293 F294V247-S291 WeakPolarHBondContact CB-O 3.3Å; V247-S291 VanDerWaalsContact CG1-O 3.3Å; V247-S291 WeakPolarHBondContact CG1-O 3.46Å; V247-S291 WeakPolarHBondContact CG2-O 3.15Å; S291-D293 PolarHBondContact O-N 2.93Å; S291-F294 PolarHBondContact O-N 3.13Å
292T98.7Very high98.7Very high92 Ų9251.2 Ų51.256%0.56428%0.277SS*.G310 helixtrans-64.6-24.9-17645.40000113.6V290 F294 T295V290-T292 VanDerWaalsContact C-N 3.28Å; V290-T292 PolarHBondContact O-N 2.7Å; V290-T292 VanDerWaalsContact O-N 3.14Å; T292-F294 PolarHBondContact O-N 2.9Å; T292-T295 WeakPolarHBondContact O-CB 3.41Å; T292-T295 PolarHBondContact O-N 2.98Å; T292-T295 VanDerWaalsContact O-N 3.12Å; T292-T295 PolarHBondContact O-OG1 3.18Å
293D98.8Very high98.8Very high96 Ų9651.1 Ų51.151%0.51328%0.276SS..G310 helixtrans-68.3-18.1-178.5-55.3-32.1000112V289 V290 S291V289-D293 WeakPolarHBondContact CA-OD2 3.35Å; V290-D293 WeakPolarHBondContact CG2-OD2 3.31Å; V290-D293 PolarHBondContact N-OD2 3.27Å; V290-D293 WeakPolarHBondContact O-CB 3.49Å; V290-D293 PolarHBondContact O-N 2.91Å; V290-D293 VanDerWaalsContact O-N 3.09Å; S291-D293 PolarHBondContact O-N 2.93Å
294F98.8Very high98.8Very high11 Ų1148.5 Ų48.55%0.04827%0.265CS..G310 helixtrans-100.65.7177.1-55.6-66.1000113.9V247 T285 V289 S291 T292 S296 N297 I302 W321V247-F294 HydrophobicContact CG1-CB 3.99Å; V247-F294 HydrophobicContact CG1-CD2 4.49Å; V247-F294 HydrophobicContact CG2-CB 4.15Å; T285-F294 HydrophobicContact CG2-CZ 4.34Å; V289-F294 HydrophobicContact CB-CE2 3.83Å; V289-F294 HydrophobicContact CB-CZ 3.76Å; V289-F294 HydrophobicContact CG1-CE2 4.46Å; V289-F294 HydrophobicContact CG1-CZ 3.93Å; V289-F294 HydrophobicContact CG2-CE2 3.73Å; V289-F294 HydrophobicContact CG2-CZ 3.65Å; S291-F294 PolarHBondContact O-N 3.13Å; T292-F294 PolarHBondContact O-N 2.9Å; F294-S296 PolarHBondContact O-N 2.84Å; F294-N297 HydrophobicContact CB-CB 4.22Å; F294-N297 WeakPolarHBondContact O-CB 3.29Å; F294-N297 PolarHBondContact O-N 2.85Å; F294-I302 HydrophobicContact CD1-CB 4.39Å; F294-I302 HydrophobicContact CD1-CD1 4.25Å; F294-I302 HydrophobicContact CD1-CG1 4.09Å; F294-I302 HydrophobicContact CD1-CG2 4.31Å; F294-I302 HydrophobicContact CE1-CB 4.12Å; F294-I302 HydrophobicContact CE1-CG1 4.24Å; F294-I302 HydrophobicContact CE1-CG2 3.61Å; F294-I302 HydrophobicContact CZ-CG2 4.07Å; F294-W321 HydrophobicContact CD2-CB 3.56Å; F294-W321 AromaticContact CD2-CD2 3.83Å; F294-W321 HydrophobicContact CD2-CD2 3.83Å; F294-W321 HydrophobicContact CD2-CE3 4.23Å; F294-W321 AromaticContact CD2-CG 3.52Å; F294-W321 HydrophobicContact CD2-CG 3.52Å; F294-W321 HydrophobicContact CE2-CB 3.68Å; F294-W321 AromaticContact CE2-CD1 3.28Å; F294-W321 AromaticContact CE2-CD2 3.7Å; F294-W321 HydrophobicContact CE2-CD2 3.7Å; F294-W321 AromaticContact CE2-CE2 3.99Å; F294-W321 AromaticContact CE2-CG 3.27Å; F294-W321 HydrophobicContact CE2-CG 3.27Å; F294-W321 AromaticContact CE2-NE1 3.72Å; F294-W321 HydrophobicContact CG-CB 4.02Å; F294-W321 HydrophobicContact CG-CG 4.44Å; F294-W321 HydrophobicContact CZ-CB 4.26Å; F294-W321 AromaticContact CZ-CD1 3.75Å; F294-W321 HydrophobicContact CZ-CG 4.04Å
295T98.7Very high98.7Very high51 Ų5147.2 Ų47.231%0.31326%0.26SS..THydrogen-bonded Turntrans-62.7125.4177.9-50.40000110T52 T292 N297T52-T295 HydrophobicContact CG2-CG2 4.15Å; T292-T295 WeakPolarHBondContact O-CB 3.41Å; T292-T295 PolarHBondContact O-N 2.98Å; T292-T295 VanDerWaalsContact O-N 3.12Å; T292-T295 PolarHBondContact O-OG1 3.18Å; T295-N297 PolarHBondContact O-N 3.37Å
296S98.4Very high98.7Very high43 Ų4348.9 Ų48.930%0.30128%0.282SS..THydrogen-bonded Turntrans65.419.8-172-37.90000114.8H53 F294 D323 Y326H53-S296 PolarHBondContact ND1-OG 2.84Å; F294-S296 PolarHBondContact O-N 2.84Å; S296-D323 WeakPolarHBondContact CA-OD2 3.34Å; S296-D323 PolarHBondContact N-OD2 2.94Å; S296-Y326 VanDerWaalsContact O-CD1 3.25Å; S296-Y326 WeakPolarHBondContact O-CD1 3.49Å; S296-Y326 WeakPolarHBondContact O-CE1 3.36Å
297N98.7Very high98.7Very high29 Ų2945.6 Ų45.616%0.15527%0.274CS..  trans-73.1133.8169.1-169.9-48.2000109.7E283 F294 T295 H299 G327E283-N297 PolarHBondContact OE2-ND2 3.29Å; F294-N297 HydrophobicContact CB-CB 4.22Å; F294-N297 WeakPolarHBondContact O-CB 3.29Å; F294-N297 PolarHBondContact O-N 2.85Å; T295-N297 PolarHBondContact O-N 3.37Å; N297-H299 WeakPolarHBondContact OD1-CB 3.25Å; N297-H299 PolarHBondContact OD1-N 2.84Å; N297-H299 PolarHBondContact OD1-ND1 3.48Å; N297-G327 PolarHBondContact O-N 3.47Å
298S98.6Very high98.7Very high39 Ų3940.4 Ų40.427%0.27325%0.25SC..  trans-89.8-8.3-174.370.90000114.9H330 R331S298-H330 WeakPolarHBondContact CB-CD2 3.33Å; S298-R331 PolarHBondContact O-NH1 3.22Å; S298-R331 PolarHBondContact O-NH2 3.35Å
299H98.9Very high98.7Very high38 Ų3837.1 Ų37.118%0.17624%0.236CC..  trans-70.3155178.1-63.3100.9000111.2G280 E283 N297 I302G280-H299 VanDerWaalsContact C-CD2 3.43Å; E283-H299 HydrophobicContact CB-CB 4.21Å; E283-H299 IonicContact OE2-CE1 2.82Å; E283-H299 PolarHBondContact OE2-CE1 2.77Å; E283-H299 IonicContact OE2-CG 2.88Å; E283-H299 IonicContact OE2-ND1 3.67Å; E283-H299 PolarHBondContact OE2-ND1 3.25Å; N297-H299 WeakPolarHBondContact OD1-CB 3.25Å; N297-H299 PolarHBondContact OD1-N 2.84Å; N297-H299 PolarHBondContact OD1-ND1 3.48Å; H299-I302 HydrophobicContact CB-CD1 4.09Å; H299-I302 HydrophobicContact CB-CG1 4.05Å
300S98.9Very high98.7Very high4 Ų437.5 Ų37.53%0.02824%0.241CC..SBendtrans-84.4-32.3177.1-47.20000111.7N162 C163 I281 Y322 R331N162-S300 VanDerWaalsContact O-CB 3.23Å; N162-S300 WeakPolarHBondContact O-CB 3.2Å; C163-S300 WeakPolarHBondContact CA-O 3.41Å; C163-S300 WeakPolarHBondContact CB-O 3.29Å; I281-S300 PolarHBondContact O-N 3.42Å; S300-Y322 VanDerWaalsContact O-CB 3.31Å; S300-Y322 WeakPolarHBondContact O-CB 3.49Å; S300-R331 WeakPolarHBondContact OG-CD 3.48Å; S300-R331 VanDerWaalsContact OG-CG 3.27Å; S300-R331 WeakPolarHBondContact OG-CG 3.41Å; S300-R331 PolarHBondContact OG-NH1 3.14Å
301S98.9Very high98.7Very high0 Ų040 Ų400%025%0.251CS..EExtended strand (participates in β ladder)trans-146.6117.5-175.2179.20000108.5C163 I281 I282 E283 S320C163-S301 WeakPolarHBondContact O-CB 3.29Å; C163-S301 PolarHBondContact O-OG 2.85Å; I281-S301 PolarHBondContact O-N 3.45Å; I281-S301 VanDerWaalsContact O-N 3.13Å; I282-S301 CarbonylContact C-O 3.6Å; I282-S301 VanDerWaalsContact CA-O 3.29Å; I282-S301 WeakPolarHBondContact CA-O 3.06Å; E283-S301 PolarHBondContact N-O 3.1Å; S301-S320 PolarHBondContact OG-OG 3.08Å
302I98.9Very high98.7Very high0 Ų042 Ų420%026%0.259CS..EExtended strand (participates in β ladder)trans-107.2109.4172.5-52.888000107.1E283 T285 F294 H299 S320 W321E283-I302 HydrophobicContact CB-CB 4.25Å; E283-I302 HydrophobicContact CB-CG1 3.93Å; E283-I302 HydrophobicContact CB-CG2 3.94Å; E283-I302 HydrophobicContact CG-CG1 4.49Å; E283-I302 HydrophobicContact CG-CG2 3.96Å; E283-I302 CarbonylContact O-C 3.59Å; E283-I302 WeakPolarHBondContact O-CA 3.23Å; E283-I302 WeakPolarHBondContact OE2-CG1 3.26Å; T285-I302 HydrophobicContact CG2-CG2 4.22Å; F294-I302 HydrophobicContact CD1-CB 4.39Å; F294-I302 HydrophobicContact CD1-CD1 4.25Å; F294-I302 HydrophobicContact CD1-CG1 4.09Å; F294-I302 HydrophobicContact CD1-CG2 4.31Å; F294-I302 HydrophobicContact CE1-CB 4.12Å; F294-I302 HydrophobicContact CE1-CG1 4.24Å; F294-I302 HydrophobicContact CE1-CG2 3.61Å; F294-I302 HydrophobicContact CZ-CG2 4.07Å; H299-I302 HydrophobicContact CB-CD1 4.09Å; H299-I302 HydrophobicContact CB-CG1 4.05Å; I302-S320 PolarHBondContact N-OG 2.81Å; I302-S320 VanDerWaalsContact N-OG 3.13Å; I302-S320 CarbonylContact O-C 3.55Å; I302-S320 WeakPolarHBondContact O-CA 3.38Å; I302-S320 WeakPolarHBondContact O-CB 3.43Å; I302-S320 PolarHBondContact O-OG 2.93Å; I302-W321 HydrophobicContact CB-CB 4.28Å; I302-W321 HydrophobicContact CD1-CB 4.47Å; I302-W321 VanDerWaalsContact CD1-O 3.29Å; I302-W321 WeakPolarHBondContact CD1-O 3.29Å; I302-W321 PolarHBondContact N-O 3.39Å; I302-W321 PolarHBondContact O-N 2.77Å
303F98.9Very high98.7Very high0 Ų041 Ų410%025%0.254CS..EExtended strand (participates in β ladder)trans-75.2125.4-179.6-179.9-97.4000110.2L167 K266 M269 E283 Y284 T285 A305 L318L167-F303 HydrophobicContact CD1-CD2 3.89Å; L167-F303 HydrophobicContact CD1-CE2 4.27Å; K266-F303 HydrophobicContact CG-CE1 4.25Å; M269-F303 HydrophobicContact CB-CB 4.37Å; M269-F303 HydrophobicContact CB-CD1 3.81Å; M269-F303 HydrophobicContact CB-CD2 4.37Å; M269-F303 HydrophobicContact CB-CE1 4.13Å; M269-F303 HydrophobicContact CB-CG 3.92Å; M269-F303 HydrophobicContact CE-CB 4.1Å; M269-F303 HydrophobicContact CE-CD2 4.29Å; M269-F303 HydrophobicContact CE-CG 4.3Å; M269-F303 HydrophobicContact CG-CD1 4.13Å; M269-F303 HydrophobicContact CG-CD2 3.86Å; M269-F303 HydrophobicContact CG-CE1 4.21Å; M269-F303 HydrophobicContact CG-CE2 3.97Å; M269-F303 HydrophobicContact CG-CG 3.93Å; M269-F303 HydrophobicContact CG-CZ 4.14Å; E283-F303 PolarHBondContact O-N 3.1Å; Y284-F303 AromaticContact CD2-CD1 3.57Å; Y284-F303 HydrophobicContact CD2-CD1 3.57Å; Y284-F303 HydrophobicContact CD2-CE1 4.3Å; Y284-F303 HydrophobicContact CD2-CG 4.46Å; Y284-F303 AromaticContact CE2-CD1 3.67Å; Y284-F303 HydrophobicContact CE2-CD1 3.67Å; Y284-F303 AromaticContact CE2-CE1 3.94Å; Y284-F303 HydrophobicContact CE2-CE1 3.94Å; T285-F303 PolarHBondContact N-O 2.87Å; F303-A305 HydrophobicContact CD1-CB 4.37Å; F303-A305 HydrophobicContact CE1-CB 4.05Å; F303-L318 HydrophobicContact CE2-CB 4.18Å; F303-L318 HydrophobicContact CE2-CD2 4.22Å; F303-L318 HydrophobicContact CZ-CD2 4.47Å
304D98.8Very high98.7Very high9 Ų939.9 Ų39.95%0.04825%0.245CC..EExtended strand (participates in β ladder)trans-97.4102.6178.6-172.2-33.3000109.2V289 G306 A307 V319 W321V289-D304 WeakPolarHBondContact CG2-OD2 3.45Å; D304-G306 VanDerWaalsContact C-N 3.31Å; D304-G306 PolarHBondContact O-N 3.31Å; D304-G306 PolarHBondContact OD1-N 2.87Å; D304-G306 VanDerWaalsContact OD1-N 3.11Å; D304-A307 HydrophobicContact CB-CB 4.02Å; D304-A307 WeakPolarHBondContact OD1-CB 3.36Å; D304-A307 PolarHBondContact OD1-N 2.9Å; D304-A307 WeakPolarHBondContact OD2-CB 3.37Å; D304-V319 HydrophobicContact CB-CB 4.31Å; D304-V319 HydrophobicContact CB-CG1 4.14Å; D304-V319 PolarHBondContact N-O 2.81Å; D304-W321 PolarHBondContact OD2-NE1 2.82Å
305A98.6Very high98.7Very high5 Ų543 Ų434%0.04126%0.259CS..EExtended strand (participates in β ladder)trans-69.3-30.5-175.600000112.6Y262 K266 Y284 T285 E286 F303Y262-A305 VanDerWaalsContact CE1-O 3.22Å; Y262-A305 WeakPolarHBondContact CE1-O 3.21Å; Y262-A305 PolarHBondContact OH-O 3.37Å; K266-A305 HydrophobicContact CD-CB 3.83Å; K266-A305 HydrophobicContact CG-CB 4.03Å; Y284-A305 HydrophobicContact CE1-CB 4.47Å; Y284-A305 HydrophobicContact CE2-CB 3.84Å; Y284-A305 WeakPolarHBondContact OH-CB 3.49Å; T285-A305 WeakPolarHBondContact O-CB 3.15Å; T285-A305 PolarHBondContact O-N 3.26Å; E286-A305 HydrophobicContact CG-CB 3.76Å; F303-A305 HydrophobicContact CD1-CB 4.37Å; F303-A305 HydrophobicContact CE1-CB 4.05Å
306G98Very high98.7Very high54 Ų5440.7 Ų40.756%0.55725%0.245SC*.EExtended strand (participates in β ladder)trans-80.4-28.7-178.400000113.7D304D304-G306 VanDerWaalsContact C-N 3.31Å; D304-G306 PolarHBondContact O-N 3.31Å; D304-G306 PolarHBondContact OD1-N 2.87Å; D304-G306 VanDerWaalsContact OD1-N 3.11Å
307A98.6Very high98.7Very high49 Ų4941.7 Ų41.741%0.40524%0.244SC..EExtended strand (participates in β ladder)trans-86.7-17.8-174.100000115.5D304 V319D304-A307 HydrophobicContact CB-CB 4.02Å; D304-A307 WeakPolarHBondContact OD1-CB 3.36Å; D304-A307 PolarHBondContact OD1-N 2.9Å; D304-A307 WeakPolarHBondContact OD2-CB 3.37Å; A307-V319 HydrophobicContact CB-CB 3.91Å; A307-V319 HydrophobicContact CB-CG1 3.91Å; A307-V319 HydrophobicContact CB-CG2 4Å
308G98.5Very high98.7Very high11 Ų1140.3 Ų40.311%0.11324%0.236CC..EExtended strand (participates in β ladder)trans-83.4168.7176.600000113.9Y262 K317Y262-G308 WeakPolarHBondContact OH-CA 3.44Å; Y262-G308 PolarHBondContact OH-N 3.38Å; G308-K317 CarbonylContact C-O 3.55Å; G308-K317 VanDerWaalsContact CA-O 3.23Å; G308-K317 WeakPolarHBondContact CA-O 3.42Å
309I98.7Very high98.7Very high111 Ų11139.2 Ų39.257%0.56923%0.228SC*.EExtended strand (participates in β ladder)trans-155.4143.1-179.1-170.9167.4000111.9K317I309-K317 HydrophobicContact CG2-CB 4.02Å; I309-K317 HydrophobicContact CG2-CD 4.38Å; I309-K317 PolarHBondContact N-O 2.84Å; I309-K317 PolarHBondContact O-N 2.83Å
310S98.5Very high98.7Very high35 Ų3537.4 Ų37.425%0.24522%0.22CC..EExtended strand (participates in β ladder)trans-101.8128.2170.8-65.70000111Y262 V316Y262-S310 WeakPolarHBondContact CB-OG 3.42Å; Y262-S310 WeakPolarHBondContact CD2-OG 3.23Å; S310-V316 VanDerWaalsContact OG-CG1 3.24Å; S310-V316 WeakPolarHBondContact OG-CG1 3.45Å
311L98.5Very high98.7Very high134 Ų13439 Ų3970%0.70223%0.225SC*.EExtended strand (participates in β ladder)trans-75.9-42.4170.7177.564.5000110.9F315L311-F315 HydrophobicContact CB-CB 4.45Å; L311-F315 HydrophobicContact CB-CD1 3.96Å; L311-F315 HydrophobicContact CD2-CD1 3.69Å; L311-F315 HydrophobicContact CD2-CE1 4.32Å; L311-F315 HydrophobicContact CG-CD1 4.47Å; L311-F315 PolarHBondContact N-O 2.69Å
312N98.6Very high98.7Very high72 Ų7239.2 Ų39.239%0.38523%0.226SC..EExtended strand (participates in β ladder)trans-155.8175.3176.865.457.8000108.4H314 F315N312-H314 PolarHBondContact O-N 3.09Å; N312-H314 WeakPolarHBondContact OD1-CA 3.11Å; N312-H314 PolarHBondContact OD1-N 3.14Å; N312-F315 PolarHBondContact N-O 2.79Å; N312-F315 PolarHBondContact O-N 2.84Å; N312-F315 VanDerWaalsContact O-N 3.13Å; N312-F315 PolarHBondContact OD1-N 2.94Å
313P98.7Very high98.7Very high70 Ų7039.3 Ų39.346%0.45523%0.226SC..THydrogen-bonded Turntrans-59.2-16.9-175.6-27.836.6000115.9P259 A260P259-P313 CarbonylContact C-O 3.56Å; P259-P313 VanDerWaalsContact CA-O 3.29Å; P259-P313 WeakPolarHBondContact CA-O 3.46Å; P259-P313 HydrophobicContact CB-CB 3.65Å; A260-P313 PolarHBondContact N-O 3Å; A260-P313 WeakPolarHBondContact O-CA 3.41Å
314H98.7Very high98.7Very high73 Ų7339.7 Ų39.734%0.33823%0.228SC..THydrogen-bonded Turntrans-108.8-11.1178.9-70.1-86.1000113.8R255 L256 E257 N312R255-H314 CarbonylContact C-O 3.43Å; R255-H314 WeakPolarHBondContact CA-O 3.17Å; L256-H314 PolarHBondContact N-O 3.21Å; L256-H314 PolarHBondContact O-ND1 3.12Å; E257-H314 PolarHBondContact O-CE1 3.21Å; E257-H314 PolarHBondContact O-ND1 3.22Å; N312-H314 PolarHBondContact O-N 3.09Å; N312-H314 WeakPolarHBondContact OD1-CA 3.11Å; N312-H314 PolarHBondContact OD1-N 3.14Å
315F98.9Very high98.7Very high76 Ų7639.9 Ų39.933%0.33323%0.229SC..EExtended strand (participates in β ladder)trans-129.3113.2-172.1-165.3-108000111.1T253 R255 L311 N312T253-F315 HydrophobicContact CG2-CE1 3.88Å; T253-F315 HydrophobicContact CG2-CE2 4.12Å; T253-F315 HydrophobicContact CG2-CZ 3.48Å; T253-F315 VanDerWaalsContact CG2-CZ 3.48Å; R255-F315 HydrophobicContact CB-CD2 4.09Å; L311-F315 HydrophobicContact CB-CB 4.45Å; L311-F315 HydrophobicContact CB-CD1 3.96Å; L311-F315 HydrophobicContact CD2-CD1 3.69Å; L311-F315 HydrophobicContact CD2-CE1 4.32Å; L311-F315 HydrophobicContact CG-CD1 4.47Å; L311-F315 PolarHBondContact N-O 2.69Å; N312-F315 PolarHBondContact N-O 2.79Å; N312-F315 PolarHBondContact O-N 2.84Å; N312-F315 VanDerWaalsContact O-N 3.13Å; N312-F315 PolarHBondContact OD1-N 2.94Å
316V98.8Very high98.7Very high2 Ų240.6 Ų40.61%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-135151.5-166.2-53.70000111.8T253 C254 L256 I265 S310 L318T253-V316 CarbonylContact C-O 3.42Å; T253-V316 WeakPolarHBondContact CA-O 3.27Å; C254-V316 PolarHBondContact N-O 2.97Å; C254-V316 PolarHBondContact O-N 2.8Å; L256-V316 HydrophobicContact CD1-CG1 4.2Å; L256-V316 HydrophobicContact CD1-CG2 4.22Å; L256-V316 HydrophobicContact CD2-CG2 4.34Å; L256-V316 HydrophobicContact CG-CG2 4.24Å; I265-V316 HydrophobicContact CD1-CB 4.29Å; I265-V316 HydrophobicContact CD1-CG1 3.72Å; I265-V316 HydrophobicContact CD1-CG2 4.27Å; S310-V316 VanDerWaalsContact OG-CG1 3.24Å; S310-V316 WeakPolarHBondContact OG-CG1 3.45Å; V316-L318 HydrophobicContact CB-CD2 4.33Å; V316-L318 HydrophobicContact CG2-CD1 4.33Å; V316-L318 HydrophobicContact CG2-CD2 4.03Å; V316-L318 HydrophobicContact CG2-CG 4.02Å
317K98.9Very high98.8Very high65 Ų6538.1 Ų38.128%0.28321%0.205SC..EExtended strand (participates in β ladder)trans-115.7120.9170176.4179.2-63.2-65.60108.4D251 L252 T253 G308 I309D251-K317 WeakPolarHBondContact OD1-CG 3.16Å; D251-K317 IonicContact OD1-NZ 2.73Å; D251-K317 PolarHBondContact OD1-NZ 2.74Å; D251-K317 IonicContact OD2-NZ 2.69Å; D251-K317 PolarHBondContact OD2-NZ 2.95Å; L252-K317 CarbonylContact O-C 3.59Å; L252-K317 WeakPolarHBondContact O-CA 3.48Å; T253-K317 PolarHBondContact OG1-NZ 3.02Å; G308-K317 CarbonylContact C-O 3.55Å; G308-K317 VanDerWaalsContact CA-O 3.23Å; G308-K317 WeakPolarHBondContact CA-O 3.42Å; I309-K317 HydrophobicContact CG2-CB 4.02Å; I309-K317 HydrophobicContact CG2-CD 4.38Å; I309-K317 PolarHBondContact N-O 2.84Å; I309-K317 PolarHBondContact O-N 2.83Å
318L98.9Very high98.8Very high0 Ų036.2 Ų36.20%019%0.187CC..EExtended strand (participates in β ladder)trans-116.1133.1-176.8-54-177.9000109.6L167 I171 L252 Y262 I265 F303 V316L167-L318 HydrophobicContact CD1-CD1 4.23Å; L167-L318 HydrophobicContact CD2-CB 4.23Å; I171-L318 HydrophobicContact CD1-CD1 3.8Å; I171-L318 HydrophobicContact CG1-CD1 3.68Å; I171-L318 HydrophobicContact CG2-CD1 4.42Å; L252-L318 HydrophobicContact CB-CB 4.5Å; L252-L318 PolarHBondContact N-O 3.01Å; L252-L318 PolarHBondContact O-N 3.04Å; Y262-L318 HydrophobicContact CE2-CD2 4.08Å; I265-L318 HydrophobicContact CG2-CD1 4.5Å; I265-L318 HydrophobicContact CG2-CD2 3.79Å; F303-L318 HydrophobicContact CE2-CB 4.18Å; F303-L318 HydrophobicContact CE2-CD2 4.22Å; F303-L318 HydrophobicContact CZ-CD2 4.47Å; V316-L318 HydrophobicContact CB-CD2 4.33Å; V316-L318 HydrophobicContact CG2-CD1 4.33Å; V316-L318 HydrophobicContact CG2-CD2 4.03Å; V316-L318 HydrophobicContact CG2-CG 4.02Å
319V98.9Very high98.8Very high16 Ų1635.7 Ų35.710%0.09718%0.182CC..EExtended strand (participates in β ladder)trans-113.2133.7-176179.90000109.9V249 V250 D304 A307V249-V319 HydrophobicContact CG2-CG1 3.42Å; V249-V319 VanDerWaalsContact CG2-CG1 3.42Å; V250-V319 CarbonylContact O-C 3.59Å; V250-V319 WeakPolarHBondContact O-CA 3.23Å; D304-V319 HydrophobicContact CB-CB 4.31Å; D304-V319 HydrophobicContact CB-CG1 4.14Å; D304-V319 PolarHBondContact N-O 2.81Å; A307-V319 HydrophobicContact CB-CB 3.91Å; A307-V319 HydrophobicContact CB-CG1 3.91Å; A307-V319 HydrophobicContact CB-CG2 4Å
320S99Very high98.8Very high0 Ų031 Ų310%016%0.157CC..EExtended strand (participates in β ladder)trans-142.2128.9173.1-173.20000113V249 V250 S301 I302V249-S320 CarbonylContact C-O 3.55Å; V249-S320 WeakPolarHBondContact CA-O 3.25Å; V250-S320 PolarHBondContact N-O 3.13Å; V250-S320 PolarHBondContact O-N 3.3Å; S301-S320 PolarHBondContact OG-OG 3.08Å; I302-S320 PolarHBondContact N-OG 2.81Å; I302-S320 VanDerWaalsContact N-OG 3.13Å; I302-S320 CarbonylContact O-C 3.55Å; I302-S320 WeakPolarHBondContact O-CA 3.38Å; I302-S320 WeakPolarHBondContact O-CB 3.43Å; I302-S320 PolarHBondContact O-OG 2.93Å
321W99Very high98.8Very high38 Ų3829.5 Ų29.514%0.14415%0.146CC..EExtended strand (participates in β ladder)trans-81.9156.8174.6-60.296.1000111.5V247 V249 F294 I302 D304V247-W321 HydrophobicContact CG1-CE3 3.92Å; V249-W321 HydrophobicContact CB-CD2 4.06Å; V249-W321 HydrophobicContact CB-CE3 3.62Å; V249-W321 HydrophobicContact CB-CH2 4.26Å; V249-W321 HydrophobicContact CB-CZ3 3.72Å; V249-W321 HydrophobicContact CG1-CE3 4.47Å; V249-W321 HydrophobicContact CG1-CH2 4.41Å; V249-W321 HydrophobicContact CG1-CZ3 4.08Å; V249-W321 HydrophobicContact CG2-CD2 4.04Å; V249-W321 HydrophobicContact CG2-CE3 4.12Å; V249-W321 HydrophobicContact CG2-CZ2 4.48Å; V249-W321 HydrophobicContact CG2-CZ3 4.36Å; F294-W321 HydrophobicContact CD2-CB 3.56Å; F294-W321 AromaticContact CD2-CD2 3.83Å; F294-W321 HydrophobicContact CD2-CD2 3.83Å; F294-W321 HydrophobicContact CD2-CE3 4.23Å; F294-W321 AromaticContact CD2-CG 3.52Å; F294-W321 HydrophobicContact CD2-CG 3.52Å; F294-W321 HydrophobicContact CE2-CB 3.68Å; F294-W321 AromaticContact CE2-CD1 3.28Å; F294-W321 AromaticContact CE2-CD2 3.7Å; F294-W321 HydrophobicContact CE2-CD2 3.7Å; F294-W321 AromaticContact CE2-CE2 3.99Å; F294-W321 AromaticContact CE2-CG 3.27Å; F294-W321 HydrophobicContact CE2-CG 3.27Å; F294-W321 AromaticContact CE2-NE1 3.72Å; F294-W321 HydrophobicContact CG-CB 4.02Å; F294-W321 HydrophobicContact CG-CG 4.44Å; F294-W321 HydrophobicContact CZ-CB 4.26Å; F294-W321 AromaticContact CZ-CD1 3.75Å; F294-W321 HydrophobicContact CZ-CG 4.04Å; I302-W321 HydrophobicContact CB-CB 4.28Å; I302-W321 HydrophobicContact CD1-CB 4.47Å; I302-W321 VanDerWaalsContact CD1-O 3.29Å; I302-W321 WeakPolarHBondContact CD1-O 3.29Å; I302-W321 PolarHBondContact N-O 3.39Å; I302-W321 PolarHBondContact O-N 2.77Å; D304-W321 PolarHBondContact OD2-NE1 2.82Å
322Y98.9Very high98.8Very high3 Ų323.1 Ų23.11%0.01211%0.113CC..EExtended strand (participates in β ladder)trans-158.4134.5169.961.7-74.5000110.4C159 T160 C163 T184 H186 S248 V250 S300 N324C159-Y322 HydrophobicContact CB-CD2 4.17Å; C159-Y322 HydrophobicContact CB-CE2 3.86Å; T160-Y322 PolarHBondContact OG1-OH 2.95Å; C163-Y322 HydrophobicContact CB-CD1 3.5Å; C163-Y322 HydrophobicContact CB-CD2 4.18Å; C163-Y322 HydrophobicContact CB-CE1 4.06Å; C163-Y322 HydrophobicContact CB-CG 3.57Å; C163-Y322 WeakPolarHBondContact SG-CD1 3.48Å; T184-Y322 PolarHBondContact OG1-OH 3.35Å; H186-Y322 PolarHBondContact CD2-OH 2.88Å; S248-Y322 VanDerWaalsContact CB-CE1 3.48Å; S248-Y322 VanDerWaalsContact CB-OH 3.31Å; S248-Y322 WeakPolarHBondContact CB-OH 3Å; S248-Y322 PolarHBondContact N-O 3.43Å; S248-Y322 VanDerWaalsContact O-CD1 3.3Å; S248-Y322 WeakPolarHBondContact O-CD1 3.34Å; S248-Y322 PolarHBondContact O-N 3.12Å; V250-Y322 HydrophobicContact CG2-CD1 4.3Å; V250-Y322 HydrophobicContact CG2-CE1 3.75Å; S300-Y322 VanDerWaalsContact O-CB 3.31Å; S300-Y322 WeakPolarHBondContact O-CB 3.49Å; Y322-N324 HydrophobicContact CD2-CB 3.89Å; Y322-N324 HydrophobicContact CE2-CB 3.64Å; Y322-N324 PolarHBondContact O-N 2.83Å; Y322-N324 VanDerWaalsContact O-N 3.16Å
323D98.9Very high98.8Very high2 Ų219.7 Ų19.71%0.01110%0.095CC..  trans-71.3107.4161.9-172.8-43.7000108H53 V247 S296 E325 Y326 G327H53-D323 IonicContact CE1-OD1 3.98Å; H53-D323 IonicContact CE1-OD2 3.95Å; H53-D323 PolarHBondContact CE1-OD2 2.9Å; H53-D323 IonicContact ND1-OD2 2.79Å; V247-D323 HydrophobicContact CG2-CB 4.32Å; S296-D323 WeakPolarHBondContact CA-OD2 3.34Å; S296-D323 PolarHBondContact N-OD2 2.94Å; D323-E325 PolarHBondContact O-N 3.41Å; D323-E325 PolarHBondContact OD1-N 2.69Å; D323-Y326 WeakPolarHBondContact OD1-CB 3.35Å; D323-Y326 PolarHBondContact OD1-N 3.33Å; D323-Y326 VanDerWaalsContact OD2-CB 3.26Å; D323-Y326 WeakPolarHBondContact OD2-CB 3.41Å; D323-G327 PolarHBondContact O-N 2.96Å
324N98.8Very high98.8Very high8 Ų818.1 Ų18.14%0.0438%0.083CC..THydrogen-bonded Turntrans-69.5-12.3-174.347.8-101.4000113.4C159 D246 V247 S248 Y322C159-N324 HydrophobicContact CB-CB 3.9Å; C159-N324 WeakPolarHBondContact CB-O 3.49Å; D246-N324 PolarHBondContact OD1-ND2 2.88Å; D246-N324 PolarHBondContact OD1-OD1 3.19Å; V247-N324 VanDerWaalsContact C-OD1 3.31Å; V247-N324 PolarHBondContact N-OD1 2.96Å; S248-N324 WeakPolarHBondContact CB-OD1 3.21Å; S248-N324 PolarHBondContact N-OD1 3.47Å; S248-N324 PolarHBondContact OG-OD1 3.32Å; Y322-N324 HydrophobicContact CD2-CB 3.89Å; Y322-N324 HydrophobicContact CE2-CB 3.64Å; Y322-N324 PolarHBondContact O-N 2.83Å; Y322-N324 VanDerWaalsContact O-N 3.16Å
325E98.8Very high98.8Very high13 Ų1314.7 Ų14.76%0.0617%0.066CC..THydrogen-bonded Turntrans-106.5-52.2177.6-56.3-170.1135.800111.5R13 L17 H53 D246 D323 S329R13-E325 VanDerWaalsContact CB-OE1 3.31Å; R13-E325 WeakPolarHBondContact CB-OE1 3.46Å; R13-E325 WeakPolarHBondContact CD-OE1 3.48Å; R13-E325 WeakPolarHBondContact CG-OE1 3.07Å; R13-E325 IonicContact CZ-OE1 2.8Å; R13-E325 IonicContact CZ-OE2 2.68Å; R13-E325 VanDerWaalsContact NE-CD 3.28Å; R13-E325 IonicContact NE-OE1 2.91Å; R13-E325 PolarHBondContact NE-OE1 3.25Å; R13-E325 IonicContact NE-OE2 2.69Å; R13-E325 PolarHBondContact NE-OE2 3.17Å; R13-E325 IonicContact NH2-OE1 2.83Å; R13-E325 IonicContact NH2-OE2 3.26Å; R13-E325 PolarHBondContact NH2-OE2 3.15Å; L17-E325 HydrophobicContact CD1-CB 3.41Å; L17-E325 VanDerWaalsContact CD1-CB 3.41Å; L17-E325 HydrophobicContact CD1-CG 4.42Å; H53-E325 IonicContact NE2-OE2 2.67Å; H53-E325 PolarHBondContact NE2-OE2 3.06Å; D246-E325 WeakPolarHBondContact OD1-CG 3.25Å; D323-E325 PolarHBondContact O-N 3.41Å; D323-E325 PolarHBondContact OD1-N 2.69Å; E325-S329 WeakPolarHBondContact O-CB 3.39Å; E325-S329 PolarHBondContact O-N 3.05Å; E325-S329 PolarHBondContact O-OG 2.97Å
326Y98.7Very high98.8Very high21 Ų2111 Ų118%0.0825%0.051CC..Hα-helixtrans-76.4-51.5-172.1-147.4-97.6000113.3L17 E24 H53 S296 D323 Y328 S329 H330L17-Y326 HydrophobicContact CD2-CD2 4.09Å; L17-Y326 HydrophobicContact CD2-CE2 4.24Å; E24-Y326 PolarHBondContact OE1-OH 2.5Å; E24-Y326 PolarHBondContact OE2-OH 3.37Å; H53-Y326 AromaticContact CE1-CD2 3.82Å; H53-Y326 AromaticContact ND1-CD2 3.58Å; S296-Y326 VanDerWaalsContact O-CD1 3.25Å; S296-Y326 WeakPolarHBondContact O-CD1 3.49Å; S296-Y326 WeakPolarHBondContact O-CE1 3.36Å; D323-Y326 WeakPolarHBondContact OD1-CB 3.35Å; D323-Y326 PolarHBondContact OD1-N 3.33Å; D323-Y326 VanDerWaalsContact OD2-CB 3.26Å; D323-Y326 WeakPolarHBondContact OD2-CB 3.41Å; Y326-Y328 VanDerWaalsContact C-N 3.32Å; Y326-Y328 PolarHBondContact O-N 2.85Å; Y326-S329 PolarHBondContact O-N 3.13Å; Y326-H330 AromaticContact CD1-CE1 3.56Å; Y326-H330 AromaticContact CD1-ND1 3.67Å; Y326-H330 AromaticContact CE1-CE1 3.15Å; Y326-H330 WeakPolarHBondContact CE1-CE1 3.48Å; Y326-H330 AromaticContact CE1-ND1 3.77Å; Y326-H330 AromaticContact CZ-CE1 3.83Å; Y326-H330 PolarHBondContact O-N 3.22Å; Y326-H330 PolarHBondContact O-ND1 3.41Å
327G98.8Very high98.8Very high1 Ų112.3 Ų12.31%0.016%0.06CC..Hα-helixtrans-61.3-43.717700000111N297 D323 H330 R331N297-G327 PolarHBondContact O-N 3.47Å; D323-G327 PolarHBondContact O-N 2.96Å; G327-H330 WeakPolarHBondContact O-CB 3.24Å; G327-H330 PolarHBondContact O-N 3.36Å; G327-R331 WeakPolarHBondContact O-CG 3.45Å; G327-R331 PolarHBondContact O-N 2.81Å; G327-R331 VanDerWaalsContact O-N 3.11Å
328Y98.9Very high98.8Very high10 Ų1010.8 Ų10.84%0.0395%0.052CC..Hα-helixtrans-62-44.4174.8-175-97.5000112.7I14 S128 A129 N156 A157 C159 Y326 H330 R331 V332I14-Y328 HydrophobicContact CD1-CD1 4.09Å; I14-Y328 HydrophobicContact CG2-CD1 4.25Å; I14-Y328 HydrophobicContact CG2-CE1 4.24Å; S128-Y328 VanDerWaalsContact CA-OH 3.24Å; S128-Y328 WeakPolarHBondContact CA-OH 3.41Å; S128-Y328 PolarHBondContact O-OH 2.91Å; A129-Y328 PolarHBondContact N-OH 3.47Å; N156-Y328 HydrophobicContact CB-CE2 4.47Å; N156-Y328 WeakPolarHBondContact ND2-CE2 3.29Å; N156-Y328 WeakPolarHBondContact O-CE2 3.17Å; A157-Y328 PolarHBondContact O-OH 3.11Å; C159-Y328 HydrophobicContact CB-CD2 4.12Å; C159-Y328 HydrophobicContact CB-CG 4.29Å; Y326-Y328 VanDerWaalsContact C-N 3.32Å; Y326-Y328 PolarHBondContact O-N 2.85Å; Y328-H330 VanDerWaalsContact C-N 3.29Å; Y328-H330 PolarHBondContact O-N 3.48Å; Y328-R331 WeakPolarHBondContact O-CB 3.44Å; Y328-R331 PolarHBondContact O-N 2.88Å; Y328-V332 HydrophobicContact CD1-CG2 4.25Å; Y328-V332 HydrophobicContact CE1-CG2 3.87Å; Y328-V332 PolarHBondContact O-N 3.29Å
329S98.9Very high98.8Very high0 Ų010.8 Ų10.80%05%0.052CC..Hα-helixtrans-62.5-37.1177.5-65.10000112.2L17 E325 Y326 R331 V332 V333L17-S329 VanDerWaalsContact CB-OG 3.31Å; L17-S329 WeakPolarHBondContact CB-OG 3.33Å; E325-S329 WeakPolarHBondContact O-CB 3.39Å; E325-S329 PolarHBondContact O-N 3.05Å; E325-S329 PolarHBondContact O-OG 2.97Å; Y326-S329 PolarHBondContact O-N 3.13Å; S329-R331 VanDerWaalsContact C-N 3.3Å; S329-R331 PolarHBondContact O-N 2.91Å; S329-V332 PolarHBondContact O-N 3.38Å; S329-V333 PolarHBondContact O-N 3.48Å
330H98.8Very high98.7Very high11 Ų1111.2 Ų11.25%0.0515%0.053CC..Hα-helixtrans-62.3-37.1172.6-84.664000112.4K25 S298 Y326 G327 Y328 V333 D334K25-H330 WeakPolarHBondContact CE-CD2 3.45Å; K25-H330 PolarHBondContact NZ-O 2.97Å; S298-H330 WeakPolarHBondContact CB-CD2 3.33Å; Y326-H330 AromaticContact CD1-CE1 3.56Å; Y326-H330 AromaticContact CD1-ND1 3.67Å; Y326-H330 AromaticContact CE1-CE1 3.15Å; Y326-H330 WeakPolarHBondContact CE1-CE1 3.48Å; Y326-H330 AromaticContact CE1-ND1 3.77Å; Y326-H330 AromaticContact CZ-CE1 3.83Å; Y326-H330 PolarHBondContact O-N 3.22Å; Y326-H330 PolarHBondContact O-ND1 3.41Å; G327-H330 WeakPolarHBondContact O-CB 3.24Å; G327-H330 PolarHBondContact O-N 3.36Å; Y328-H330 VanDerWaalsContact C-N 3.29Å; Y328-H330 PolarHBondContact O-N 3.48Å; H330-V333 PolarHBondContact O-N 3.22Å; H330-D334 PolarHBondContact O-N 3Å; H330-D334 VanDerWaalsContact O-OD2 3.14Å
331R98.9Very high98.7Very high4 Ų414.2 Ų14.22%0.0157%0.074CC..Hα-helixtrans-68.4-35175.2-66-5589.870.3-7.7113.4G280 S298 S300 G327 Y328 S329 V333 D334 L335G280-R331 PolarHBondContact O-NH1 3.49Å; G280-R331 PolarHBondContact O-NH2 2.96Å; S298-R331 PolarHBondContact O-NH1 3.22Å; S298-R331 PolarHBondContact O-NH2 3.35Å; S300-R331 WeakPolarHBondContact OG-CD 3.48Å; S300-R331 VanDerWaalsContact OG-CG 3.27Å; S300-R331 WeakPolarHBondContact OG-CG 3.41Å; S300-R331 PolarHBondContact OG-NH1 3.14Å; G327-R331 WeakPolarHBondContact O-CG 3.45Å; G327-R331 PolarHBondContact O-N 2.81Å; G327-R331 VanDerWaalsContact O-N 3.11Å; Y328-R331 WeakPolarHBondContact O-CB 3.44Å; Y328-R331 PolarHBondContact O-N 2.88Å; S329-R331 VanDerWaalsContact C-N 3.3Å; S329-R331 PolarHBondContact O-N 2.91Å; R331-V333 VanDerWaalsContact C-N 3.34Å; R331-D334 IonicContact CZ-OD2 3.95Å; R331-D334 VanDerWaalsContact CZ-OD2 3.25Å; R331-D334 IonicContact NE-OD2 3.17Å; R331-D334 PolarHBondContact NE-OD2 3.19Å; R331-D334 IonicContact NH2-OD2 3.71Å; R331-D334 PolarHBondContact NH2-OD2 2.88Å; R331-D334 PolarHBondContact O-N 3.16Å; R331-L335 WeakPolarHBondContact O-CB 3.29Å; R331-L335 PolarHBondContact O-N 2.85Å
332V98.9Very high98.6Very high0 Ų019.1 Ų19.10%09%0.092CC..Hα-helixtrans-60.5-46.2172.7174.60000110.5V18 V102 I126 N156 Y328 S329 L335 I336V18-V332 HydrophobicContact CG1-CG1 4.14Å; V18-V332 HydrophobicContact CG2-CB 3.92Å; V18-V332 HydrophobicContact CG2-CG1 3.97Å; V18-V332 HydrophobicContact CG2-CG2 4.22Å; V102-V332 HydrophobicContact CB-CG1 4.48Å; V102-V332 HydrophobicContact CG1-CG1 3.97Å; V102-V332 HydrophobicContact CG2-CG1 3.63Å; I126-V332 HydrophobicContact CG2-CG1 4.38Å; N156-V332 HydrophobicContact CB-CG2 4.29Å; N156-V332 WeakPolarHBondContact ND2-CG2 3.37Å; Y328-V332 HydrophobicContact CD1-CG2 4.25Å; Y328-V332 HydrophobicContact CE1-CG2 3.87Å; Y328-V332 PolarHBondContact O-N 3.29Å; S329-V332 PolarHBondContact O-N 3.38Å; V332-L335 PolarHBondContact O-N 3.27Å; V332-I336 HydrophobicContact CG1-CD1 4.09Å; V332-I336 WeakPolarHBondContact O-CG1 3.3Å; V332-I336 PolarHBondContact O-N 3.47Å
333V98.8Very high98.5Very high0 Ų021 Ų210%010%0.103CC..Hα-helixtrans-65-40.2177.91770000111.8V18 A21 A22 K25 V28 S329 H330 R331 I336 S337V18-V333 HydrophobicContact CG1-CG2 4.17Å; A21-V333 HydrophobicContact CB-CG2 3.9Å; A22-V333 HydrophobicContact CB-CG2 4.25Å; K25-V333 HydrophobicContact CB-CG1 4.47Å; K25-V333 HydrophobicContact CD-CB 4.47Å; K25-V333 HydrophobicContact CD-CG1 3.96Å; V28-V333 HydrophobicContact CG1-CG1 4Å; V28-V333 HydrophobicContact CG2-CG1 3.99Å; S329-V333 PolarHBondContact O-N 3.48Å; H330-V333 PolarHBondContact O-N 3.22Å; R331-V333 VanDerWaalsContact C-N 3.34Å; V333-I336 PolarHBondContact O-N 2.93Å; V333-S337 WeakPolarHBondContact O-CB 3.22Å; V333-S337 PolarHBondContact O-N 3.21Å; V333-S337 PolarHBondContact O-OG 3.12Å
334D98.7Very high98.2Very high38 Ų3828.2 Ų28.220%0.20314%0.136CC..Hα-helixtrans-63.4-43.4175.9-70.5-25.9000111.8K25 M139 H330 R331 S337 Y338K25-D334 IonicContact NZ-OD1 3.1Å; K25-D334 PolarHBondContact NZ-OD1 3.35Å; K25-D334 IonicContact NZ-OD2 3.48Å; K25-D334 PolarHBondContact NZ-OD2 2.69Å; M139-D334 HydrophobicContact CE-CB 4.14Å; M139-D334 HydrophobicContact CG-CB 3.95Å; M139-D334 HydrophobicContact SD-CB 4.47Å; H330-D334 PolarHBondContact O-N 3Å; H330-D334 VanDerWaalsContact O-OD2 3.14Å; R331-D334 IonicContact CZ-OD2 3.95Å; R331-D334 VanDerWaalsContact CZ-OD2 3.25Å; R331-D334 IonicContact NE-OD2 3.17Å; R331-D334 PolarHBondContact NE-OD2 3.19Å; R331-D334 IonicContact NH2-OD2 3.71Å; R331-D334 PolarHBondContact NH2-OD2 2.88Å; R331-D334 PolarHBondContact O-N 3.16Å; D334-S337 PolarHBondContact O-N 3.47Å; D334-Y338 WeakPolarHBondContact O-CB 3.48Å; D334-Y338 PolarHBondContact O-N 2.94Å
335L98.8Very high98.1Very high0 Ų029.2 Ų29.20%014%0.141CC..Hα-helixtrans-63.9-43.5179-179.359.6000111.5I126 L137 M139 V154 N156 R331 V332 S337 Y338 M339I126-L335 HydrophobicContact CG2-CD2 3.98Å; L137-L335 HydrophobicContact CB-CD1 4.01Å; L137-L335 HydrophobicContact CB-CD2 4.33Å; L137-L335 HydrophobicContact CD1-CD1 3.91Å; M139-L335 HydrophobicContact CG-CB 4.42Å; M139-L335 HydrophobicContact SD-CB 3.99Å; M139-L335 HydrophobicContact SD-CD1 3.94Å; V154-L335 HydrophobicContact CG2-CD2 4.16Å; N156-L335 HydrophobicContact CB-CD2 3.97Å; R331-L335 WeakPolarHBondContact O-CB 3.29Å; R331-L335 PolarHBondContact O-N 2.85Å; V332-L335 PolarHBondContact O-N 3.27Å; L335-S337 VanDerWaalsContact C-N 3.34Å; L335-S337 PolarHBondContact O-N 2.71Å; L335-Y338 PolarHBondContact O-N 2.84Å; L335-M339 HydrophobicContact CD1-CG 4.2Å; L335-M339 HydrophobicContact CD1-SD 4.24Å; L335-M339 HydrophobicContact CG-CG 4.44Å; L335-M339 HydrophobicContact CG-SD 3.96Å; L335-M339 WeakPolarHBondContact O-CB 3.47Å; L335-M339 VanDerWaalsContact O-CG 3.25Å; L335-M339 WeakPolarHBondContact O-CG 3.43Å; L335-M339 PolarHBondContact O-N 2.99Å
336I98.8Very high98.1Very high0 Ų030.1 Ų30.10%015%0.145CC..Hα-helixtrans-60.3-46.7174.8-68.6165.6000110.6P4 V6 V28 Y100 V102 I126 V332 V333 Y338 M339 F340P4-I336 HydrophobicContact CB-CG2 3.85Å; P4-I336 HydrophobicContact CG-CG2 3.74Å; V6-I336 HydrophobicContact CG1-CD1 4.16Å; V6-I336 HydrophobicContact CG2-CD1 4.15Å; V6-I336 HydrophobicContact CG2-CG2 3.94Å; V28-I336 HydrophobicContact CG1-CB 4.45Å; V28-I336 HydrophobicContact CG1-CG2 3.99Å; Y100-I336 HydrophobicContact CD1-CG2 4.11Å; Y100-I336 HydrophobicContact CG-CG2 4.02Å; V102-I336 HydrophobicContact CG2-CD1 3.6Å; I126-I336 HydrophobicContact CD1-CD1 4.27Å; I126-I336 HydrophobicContact CD1-CG1 3.66Å; I126-I336 HydrophobicContact CG1-CG1 3.94Å; V332-I336 HydrophobicContact CG1-CD1 4.09Å; V332-I336 WeakPolarHBondContact O-CG1 3.3Å; V332-I336 PolarHBondContact O-N 3.47Å; V333-I336 PolarHBondContact O-N 2.93Å; I336-Y338 VanDerWaalsContact C-N 3.3Å; I336-Y338 PolarHBondContact O-N 3.11Å; I336-M339 PolarHBondContact O-N 3.31Å; I336-F340 WeakPolarHBondContact O-CB 3.39Å; I336-F340 PolarHBondContact O-N 2.88Å
337S98.2Very high98.1Very high29 Ų2930.6 Ų30.620%0.20315%0.148CC..Hα-helixtrans-60.7-42.1179.7-56.10000111.1T27 V28 V333 D334 L335 S341T27-S337 PolarHBondContact OG1-OG 2.89Å; T27-S337 VanDerWaalsContact OG1-OG 3.07Å; V28-S337 WeakPolarHBondContact CG1-OG 3.44Å; V333-S337 WeakPolarHBondContact O-CB 3.22Å; V333-S337 PolarHBondContact O-N 3.21Å; V333-S337 PolarHBondContact O-OG 3.12Å; D334-S337 PolarHBondContact O-N 3.47Å; L335-S337 VanDerWaalsContact C-N 3.34Å; L335-S337 PolarHBondContact O-N 2.71Å; S337-S341 PolarHBondContact O-N 3.05Å
338Y98.2Very high98Very high32 Ų3232.3 Ų32.313%0.12516%0.156CC..Hα-helixtrans-64.1-51.7176-178-94.9000112.5M139 H143 T144 Y146 D334 L335 I336 F340 S341 R342M139-Y338 HydrophobicContact CE-CG 4.31Å; H143-Y338 AromaticContact CD2-CD2 3.72Å; H143-Y338 AromaticContact CD2-CE2 3.64Å; H143-Y338 AromaticContact CD2-CZ 3.94Å; H143-Y338 WeakPolarHBondContact O-CE1 3.5Å; T144-Y338 WeakPolarHBondContact CA-OH 3.43Å; Y146-Y338 HydrophobicContact CD1-CE1 4.4Å; D334-Y338 WeakPolarHBondContact O-CB 3.48Å; D334-Y338 PolarHBondContact O-N 2.94Å; L335-Y338 PolarHBondContact O-N 2.84Å; I336-Y338 VanDerWaalsContact C-N 3.3Å; I336-Y338 PolarHBondContact O-N 3.11Å; Y338-F340 VanDerWaalsContact C-N 3.27Å; Y338-F340 PolarHBondContact O-N 2.6Å; Y338-S341 PolarHBondContact O-N 3.34Å; Y338-S341 VanDerWaalsContact O-N 3.15Å; Y338-S341 PolarHBondContact O-OG 3.46Å; Y338-R342 HydrophobicContact CD1-CG 4.3Å; Y338-R342 HydrophobicContact CE1-CG 3.8Å; Y338-R342 HydrophobicContact CE2-CG 4.47Å; Y338-R342 WeakPolarHBondContact O-CG 3.42Å; Y338-R342 PolarHBondContact O-N 3.17Å; Y338-R342 PolarHBondContact OH-NE 2.96Å; Y338-R342 VanDerWaalsContact OH-NE 3.17Å
339M98.6Very high98Very high0 Ų033.7 Ų33.70%016%0.164CC..Hα-helixtrans-56-44.7177.8-69.8169.664.300111Y100 K124 I126 Y146 V154 L335 I336 S341 R342 D343Y100-M339 HydrophobicContact CD1-CE 4.48Å; Y100-M339 HydrophobicContact CE1-CB 3.97Å; Y100-M339 HydrophobicContact CE1-CE 4.36Å; K124-M339 HydrophobicContact CB-CE 3.91Å; K124-M339 HydrophobicContact CD-CE 4.13Å; K124-M339 HydrophobicContact CG-CE 4.07Å; I126-M339 HydrophobicContact CD1-SD 4.44Å; I126-M339 HydrophobicContact CG1-SD 4.02Å; Y146-M339 HydrophobicContact CD1-CB 4.48Å; Y146-M339 HydrophobicContact CD1-CG 4.16Å; Y146-M339 HydrophobicContact CD2-CG 3.96Å; Y146-M339 HydrophobicContact CE1-CB 3.91Å; Y146-M339 HydrophobicContact CE1-CG 3.93Å; Y146-M339 HydrophobicContact CE2-CB 4.41Å; Y146-M339 HydrophobicContact CE2-CE 3.64Å; Y146-M339 HydrophobicContact CE2-CG 3.75Å; Y146-M339 HydrophobicContact CE2-SD 4.26Å; Y146-M339 HydrophobicContact CG-CG 4.19Å; V154-M339 HydrophobicContact CG1-CE 4.48Å; V154-M339 HydrophobicContact CG2-CE 4.02Å; V154-M339 HydrophobicContact CG2-SD 3.77Å; L335-M339 HydrophobicContact CD1-CG 4.2Å; L335-M339 HydrophobicContact CD1-SD 4.24Å; L335-M339 HydrophobicContact CG-CG 4.44Å; L335-M339 HydrophobicContact CG-SD 3.96Å; L335-M339 WeakPolarHBondContact O-CB 3.47Å; L335-M339 VanDerWaalsContact O-CG 3.25Å; L335-M339 WeakPolarHBondContact O-CG 3.43Å; L335-M339 PolarHBondContact O-N 2.99Å; I336-M339 PolarHBondContact O-N 3.31Å; M339-S341 VanDerWaalsContact C-N 3.32Å; M339-S341 PolarHBondContact O-N 2.88Å; M339-R342 PolarHBondContact O-N 2.89Å; M339-D343 PolarHBondContact O-N 3.46Å
340F98.2Very high97.9Very high26 Ų2635.9 Ų35.911%0.11418%0.175CC..Hα-helixtrans-57.9-43.5178.2-177.1-99.8000112.8S2 P4 Y100 I336 Y338 R342 D343 H344S2-F340 WeakPolarHBondContact O-CE1 3.46Å; P4-F340 HydrophobicContact CB-CB 3.9Å; P4-F340 HydrophobicContact CB-CD2 3.59Å; P4-F340 HydrophobicContact CB-CE2 4.23Å; P4-F340 HydrophobicContact CB-CG 3.74Å; P4-F340 HydrophobicContact CG-CB 3.94Å; P4-F340 HydrophobicContact CG-CD1 4.39Å; P4-F340 HydrophobicContact CG-CD2 4.29Å; P4-F340 HydrophobicContact CG-CG 3.94Å; Y100-F340 HydrophobicContact CE2-CB 4.48Å; Y100-F340 AromaticContact CE2-CD2 3.7Å; Y100-F340 HydrophobicContact CE2-CD2 3.7Å; Y100-F340 AromaticContact CZ-CD2 3.95Å; Y100-F340 WeakPolarHBondContact OH-CA 3.33Å; I336-F340 WeakPolarHBondContact O-CB 3.39Å; I336-F340 PolarHBondContact O-N 2.88Å; Y338-F340 VanDerWaalsContact C-N 3.27Å; Y338-F340 PolarHBondContact O-N 2.6Å; F340-R342 PolarHBondContact O-N 2.97Å; F340-D343 PolarHBondContact O-N 3.24Å; F340-H344 AromaticContact CD2-CE1 3.62Å; F340-H344 AromaticContact CD2-ND1 3.68Å; F340-H344 AromaticContact CE2-CE1 3.4Å; F340-H344 VanDerWaalsContact CE2-CE1 3.4Å; F340-H344 WeakPolarHBondContact CE2-CE1 3.13Å; F340-H344 AromaticContact CE2-ND1 3.63Å; F340-H344 PolarHBondContact O-N 2.93Å; F340-H344 PolarHBondContact O-ND1 2.64Å
341S97.3Very high97.8Very high63 Ų6337.7 Ų37.744%0.44118%0.183SC..Hα-helixtrans-70.1-8.4175.9750000115.6S337 Y338 M339 H344S337-S341 PolarHBondContact O-N 3.05Å; Y338-S341 PolarHBondContact O-N 3.34Å; Y338-S341 VanDerWaalsContact O-N 3.15Å; Y338-S341 PolarHBondContact O-OG 3.46Å; M339-S341 VanDerWaalsContact C-N 3.32Å; M339-S341 PolarHBondContact O-N 2.88Å; S341-H344 VanDerWaalsContact O-OXT 3.13Å
342R97.4Very high97.8Very high140 Ų14040.3 Ų40.353%0.52820%0.196SC..Hα-helixtrans-105.2-26.8175.9-62.7-60.6174.7177.1-4.3112Y146 P148 Y338 M339 F340 H344Y146-R342 HydrophobicContact CD1-CB 3.94Å; Y146-R342 HydrophobicContact CD1-CG 4.27Å; Y146-R342 HydrophobicContact CE1-CB 3.94Å; P148-R342 HydrophobicContact CG-CB 3.91Å; P148-R342 WeakPolarHBondContact CG-O 3.43Å; Y338-R342 HydrophobicContact CD1-CG 4.3Å; Y338-R342 HydrophobicContact CE1-CG 3.8Å; Y338-R342 HydrophobicContact CE2-CG 4.47Å; Y338-R342 WeakPolarHBondContact O-CG 3.42Å; Y338-R342 PolarHBondContact O-N 3.17Å; Y338-R342 PolarHBondContact OH-NE 2.96Å; Y338-R342 VanDerWaalsContact OH-NE 3.17Å; M339-R342 PolarHBondContact O-N 2.89Å; F340-R342 PolarHBondContact O-N 2.97Å; R342-H344 VanDerWaalsContact C-N 3.26Å
343D96.4Very high97.7Very high44 Ų4443.7 Ų43.724%0.23521%0.213CC..Hα-helixtrans-75.2-16.7173.8-64.2-19.7000112.2Y100 K124 Y146 P148 M339 F340Y100-D343 PolarHBondContact OH-OD2 3.17Å; K124-D343 VanDerWaalsContact CE-OD2 3.24Å; K124-D343 WeakPolarHBondContact CE-OD2 3.27Å; K124-D343 IonicContact NZ-OD1 3.99Å; Y146-D343 WeakPolarHBondContact CE1-OD1 3.43Å; Y146-D343 PolarHBondContact OH-OD1 2.99Å; Y146-D343 PolarHBondContact OH-OD2 3.33Å; P148-D343 WeakPolarHBondContact CB-OD1 3.26Å; M339-D343 PolarHBondContact O-N 3.46Å; F340-D343 PolarHBondContact O-N 3.24Å
344H92.5Very high97.6Very high152 Ų15247.6 Ų47.670%0.70423%0.232SC*.  trans-135.70-177.3-53.181.1000111.3F340 S341 R342F340-H344 AromaticContact CD2-CE1 3.62Å; F340-H344 AromaticContact CD2-ND1 3.68Å; F340-H344 AromaticContact CE2-CE1 3.4Å; F340-H344 VanDerWaalsContact CE2-CE1 3.4Å; F340-H344 WeakPolarHBondContact CE2-CE1 3.13Å; F340-H344 AromaticContact CE2-ND1 3.63Å; F340-H344 PolarHBondContact O-N 2.93Å; F340-H344 PolarHBondContact O-ND1 2.64Å; S341-H344 VanDerWaalsContact O-OXT 3.13Å; R342-H344 VanDerWaalsContact C-N 3.26Å

Retrieved 344 of 344 residues in 953.2 ms (Link to these results)

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