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Vacuolar protein sorting-associated protein 29

Component of the commander complex that is essential for endosomal recycling of transmembrane cargos; the commander complex is composed of the CCC subcomplex and the retriever subcomplex (By similarity). Component of the retriever complex, which is a heterotrimeric complex related to retromer cargo-selective complex (CSC) and essential for retromer-independent retrieval and recycling of numerous cargos such as integrin alpha-5/beta-1 (ITGA5:ITGB1) (By similarity). Component of the retromer cargo-selective complex (CSC). The CSC is believed to be the core functional component of retromer or respective retromer complex variants acting to prevent missorting of selected transmembrane cargo proteins into the lysosomal degradation pathway. The recruitment of the CSC to the endosomal membrane involves RAB7A and SNX3. The SNX-BAR retromer mediates retrograde transport of cargo proteins from endosomes to the trans-Golgi network (TGN) and is involved in endosome-to-plasma membrane transport for cargo protein recycling. The SNX3-retromer mediates the retrograde endosome-to-TGN transport of WLS distinct from the SNX-BAR retromer pathway. The SNX27-retromer is believed to be involved in endosome-to-plasma membrane trafficking and recycling of a broad spectrum of cargo proteins. The CSC seems to act as recruitment hub for other proteins, such as the WASH complex and TBC1D5. Required to regulate transcytosis of the polymeric immunoglobulin receptor (pIgR-pIgA). In the endosomes, retriever complex drives the retrieval and recycling of NxxY-motif-containing cargo proteins by coupling to SNX17, a cargo essential for the homeostatic maintenance of numerous cell surface proteins associated with processes that include cell migration, cell adhesion, nutrient supply and cell signaling (By similarity). The recruitment of the retriever complex to the endosomal membrane involves CCC and WASH complexes (By similarity). Involved in GLUT1 endosome-to-plasma membrane trafficking; the function is dependent of association with ANKRD27 (By similarity).

AlphaFold DB , UniProt , Accession Q9QZ88, Species MOUSE (Mus musculus, Mouse), Gene Vps29, Length 182 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
1M93.7Very high97.7Very high82 Ų8213.1 Ų13.140%0.4047%0.066SC..  0123.50-81174.4-69.900106.2V77 G78 D154 I155M1-V77 HydrophobicContact CB-CG1 4.27Å; M1-V77 HydrophobicContact CE-CG1 3.96Å; M1-V77 HydrophobicContact SD-CG1 3.94Å; M1-G78 VanDerWaalsContact CE-N 3.29Å; M1-D154 PolarHBondContact N-OD1 3.3Å; M1-D154 WeakPolarHBondContact O-CA 3.42Å; M1-I155 HydrophobicContact CB-CB 4.49Å; M1-I155 HydrophobicContact CE-CG2 4.19Å; M1-I155 PolarHBondContact N-O 2.84Å; M1-I155 PolarHBondContact O-N 2.75Å
2L96.7Very high97.6Very high45 Ų4518.7 Ų18.724%0.23610%0.104CC..EExtended strand (participates in β ladder)trans-90.1120.1-178-64.7173.2000110.7K30 Q32 H33 L152 M153 D154L2-K30 WeakPolarHBondContact CD1-O 3.42Å; L2-Q32 VanDerWaalsContact CA-OE1 3.29Å; L2-Q32 VanDerWaalsContact CB-OE1 3.27Å; L2-Q32 PolarHBondContact O-N 2.82Å; L2-Q32 PolarHBondContact O-OE1 3.17Å; L2-Q32 VanDerWaalsContact O-OE1 3.05Å; L2-H33 PolarHBondContact O-N 3.36Å; L2-L152 HydrophobicContact CB-CD1 4.48Å; L2-L152 HydrophobicContact CD2-CD2 4.16Å; L2-L152 HydrophobicContact CD2-CG 4.31Å; L2-M153 CarbonylContact C-O 3.51Å; L2-M153 WeakPolarHBondContact CA-O 3.4Å; L2-D154 HydrophobicContact CD2-CB 3.77Å
3V98.1Very high97.3Very high0 Ų025.8 Ų25.80%014%0.135CC..EExtended strand (participates in β ladder)trans-116.8120.5177.1-175.40000108.6V5 H33 L35 V77 L152 M153 I155V3-V5 HydrophobicContact CG1-CG2 4.33Å; V3-H33 CarbonylContact C-O 3.6Å; V3-H33 WeakPolarHBondContact CA-O 3.02Å; V3-H33 HydrophobicContact CG1-CB 4.11Å; V3-H33 HydrophobicContact CG2-CB 4.16Å; V3-L35 HydrophobicContact CG1-CD1 3.78Å; V3-L35 HydrophobicContact CG1-CG 3.68Å; V3-V77 HydrophobicContact CG2-CB 4.5Å; V3-V77 HydrophobicContact CG2-CG1 3.81Å; V3-V77 HydrophobicContact CG2-CG2 4.38Å; V3-L152 WeakPolarHBondContact O-CA 3.47Å; V3-M153 HydrophobicContact CB-CB 4.28Å; V3-M153 HydrophobicContact CB-CE 3.83Å; V3-M153 HydrophobicContact CG1-CE 3.69Å; V3-M153 HydrophobicContact CG2-CE 4.48Å; V3-M153 PolarHBondContact N-O 2.72Å; V3-M153 PolarHBondContact O-N 2.87Å; V3-I155 HydrophobicContact CG2-CD1 3.94Å
4L98.5Very high97.3Very high0 Ų027.6 Ų27.60%014%0.14CC..EExtended strand (participates in β ladder)trans-86.6132.1172.9173.166.6000109.5L6 L26 I31 H33 I34 L35 L52 F150 L152L4-L6 HydrophobicContact CD1-CD2 3.97Å; L4-L6 HydrophobicContact CD2-CD2 3.34Å; L4-L6 HydrophobicContact CG-CD2 3.55Å; L4-L26 HydrophobicContact CD1-CD2 3.64Å; L4-L26 HydrophobicContact CD2-CD2 3.9Å; L4-L26 HydrophobicContact CG-CD2 4.42Å; L4-I31 HydrophobicContact CB-CD1 4.07Å; L4-I31 HydrophobicContact CB-CG2 3.62Å; L4-I31 HydrophobicContact CD2-CD1 3.92Å; L4-I31 HydrophobicContact CG-CD1 4.44Å; L4-H33 PolarHBondContact N-O 3.22Å; L4-I34 HydrophobicContact CB-CG1 4.13Å; L4-I34 HydrophobicContact CD2-CD1 4.11Å; L4-I34 HydrophobicContact CD2-CG1 4.05Å; L4-I34 CarbonylContact O-C 3.13Å; L4-I34 WeakPolarHBondContact O-CA 3.45Å; L4-L35 PolarHBondContact O-N 3.38Å; L4-L52 HydrophobicContact CD2-CD1 4.08Å; L4-F150 HydrophobicContact CD1-CD2 3.56Å; L4-F150 HydrophobicContact CD1-CE2 4.03Å; L4-F150 HydrophobicContact CD1-CG 4.44Å; L4-L152 HydrophobicContact CB-CD1 4.23Å
5V98.7Very high97.2Very high0 Ų027.3 Ų27.30%014%0.141CC..EExtended strand (participates in β ladder)trans-123.5123.1177.2-170.50000108.9V3 L35 I112 P132 V151 M153V3-V5 HydrophobicContact CG1-CG2 4.33Å; V5-L35 WeakPolarHBondContact CA-O 3.26Å; V5-L35 HydrophobicContact CG2-CB 4.42Å; V5-I112 HydrophobicContact CG1-CD1 3.91Å; V5-I112 HydrophobicContact CG1-CG2 3.49Å; V5-I112 VanDerWaalsContact CG1-CG2 3.49Å; V5-I112 HydrophobicContact CG2-CD1 3.88Å; V5-P132 HydrophobicContact CB-CB 4.48Å; V5-P132 HydrophobicContact CG1-CB 4.02Å; V5-P132 HydrophobicContact CG1-CG 3.99Å; V5-P132 WeakPolarHBondContact O-CB 3.26Å; V5-V151 HydrophobicContact CB-CB 4.09Å; V5-V151 HydrophobicContact CB-CG1 4.29Å; V5-V151 HydrophobicContact CG2-CG1 4.41Å; V5-V151 PolarHBondContact N-O 3.46Å; V5-V151 PolarHBondContact O-N 3.21Å; V5-M153 HydrophobicContact CG2-CE 3.59Å; V5-M153 HydrophobicContact CG2-CG 4.31Å; V5-M153 HydrophobicContact CG2-SD 4.26Å
6L98.7Very high97.1Very high0 Ų034.4 Ų34.40%018%0.179CC..EExtended strand (participates in β ladder)trans-159.1165.4-178.465.598.5000111.3L4 L9 L35 C36 T37 L49 A135 F150L4-L6 HydrophobicContact CD1-CD2 3.97Å; L4-L6 HydrophobicContact CD2-CD2 3.34Å; L4-L6 HydrophobicContact CG-CD2 3.55Å; L6-L9 HydrophobicContact CD1-CD1 3.54Å; L6-L35 PolarHBondContact N-O 2.72Å; L6-C36 CarbonylContact O-C 3.58Å; L6-C36 WeakPolarHBondContact O-CA 3.46Å; L6-C36 PolarHBondContact O-SG 3.19Å; L6-C36 VanDerWaalsContact O-SG 3.36Å; L6-T37 PolarHBondContact O-N 2.88Å; L6-L49 HydrophobicContact CD1-CD1 4.32Å; L6-L49 HydrophobicContact CD1-CD2 3.97Å; L6-L49 HydrophobicContact CD2-CD2 3.83Å; L6-L49 HydrophobicContact CG-CD2 4.47Å; L6-A135 HydrophobicContact CB-CB 4.18Å; L6-F150 HydrophobicContact CB-CB 4.09Å
7G98.4Very high97Very high0 Ų035.1 Ų35.10%019%0.187CC..  trans175.4-160.1166.900000110.7L9 T37 A135G7-L9 WeakPolarHBondContact O-CD1 3.39Å; G7-L9 PolarHBondContact O-N 3.06Å; G7-T37 VanDerWaalsContact CA-OG1 3.3Å; G7-T37 WeakPolarHBondContact CA-OG1 3.11Å; G7-A135 PolarHBondContact O-N 3.24Å; G7-A135 VanDerWaalsContact O-N 3.1Å
8D98.6Very high96.9Very high0 Ų033.4 Ų33.40%018%0.178CC..  trans52.944.3-178-66.9-54.2000111.7G38 N39 H86 H115 H117 S134 T136D8-G38 PolarHBondContact N-O 3.08Å; D8-N39 PolarHBondContact OD1-ND2 3.3Å; D8-H86 IonicContact OD1-CE1 3.85Å; D8-H86 IonicContact OD1-NE2 3.16Å; D8-H86 PolarHBondContact OD1-NE2 2.84Å; D8-H86 VanDerWaalsContact OD1-NE2 3.11Å; D8-H115 PolarHBondContact OD2-N 3.4Å; D8-H117 IonicContact OD1-CD2 3.76Å; D8-H117 IonicContact OD1-NE2 2.97Å; D8-H117 IonicContact OD2-CD2 2.78Å; D8-S134 WeakPolarHBondContact O-CB 3.23Å; D8-S134 PolarHBondContact O-OG 2.87Å; D8-T136 PolarHBondContact O-OG1 3.17Å
9L98.3Very high96.9Very high1 Ų132.8 Ų32.81%0.00518%0.176CC..  trans-72-42.8-177.9-90.965.6000111L6 G7 I11 N39 L40 A135 T136L6-L9 HydrophobicContact CD1-CD1 3.54Å; G7-L9 WeakPolarHBondContact O-CD1 3.39Å; G7-L9 PolarHBondContact O-N 3.06Å; L9-I11 HydrophobicContact CB-CD1 4.23Å; L9-I11 HydrophobicContact CB-CG1 4.17Å; L9-I11 HydrophobicContact CD2-CD1 4.09Å; L9-I11 HydrophobicContact CG-CD1 4.34Å; L9-I11 PolarHBondContact O-N 2.69Å; L9-N39 PolarHBondContact N-O 3.24Å; L9-L40 HydrophobicContact CD1-CD2 4.22Å; L9-L40 HydrophobicContact CD2-CD2 3.8Å; L9-L40 HydrophobicContact CG-CD2 4.4Å; L9-A135 HydrophobicContact CD1-CB 3.87Å; L9-T136 HydrophobicContact CB-CG2 4.24Å; L9-T136 HydrophobicContact CG-CG2 4.08Å; L9-T136 WeakPolarHBondContact O-CG2 3.47Å; L9-T136 PolarHBondContact O-OG1 3.46Å
10H97.8Very high96.9Very high0 Ų034.7 Ų34.70%020%0.197CC..  trans49.941.7-175.8-70.3-76.2000113.9P12 H13 R14 C15 N39 F63 H117 A138H10-P12 CarbonylContact O-C 3.54Å; H10-H13 PolarHBondContact O-N 2.96Å; H10-H13 VanDerWaalsContact O-N 3.08Å; H10-R14 HydrophobicContact CB-CB 3.73Å; H10-R14 HydrophobicContact CB-CG 3.78Å; H10-R14 PolarHBondContact CE1-NH1 2.8Å; H10-R14 PolarHBondContact NE2-NH1 3.32Å; H10-R14 VanDerWaalsContact NE2-NH1 3.19Å; H10-R14 PolarHBondContact O-N 2.87Å; H10-C15 PolarHBondContact O-N 3.36Å; H10-N39 PolarHBondContact CE1-ND2 3.18Å; H10-N39 PolarHBondContact N-O 3.13Å; H10-N39 PolarHBondContact NE2-ND2 2.96Å; H10-F63 AromaticContact CE1-CD2 3.5Å; H10-F63 VanDerWaalsContact CE1-CD2 3.5Å; H10-F63 WeakPolarHBondContact CE1-CD2 3.48Å; H10-F63 AromaticContact CE1-CG 3.73Å; H10-H117 AromaticContact CD2-CE1 3.62Å; H10-H117 AromaticContact CD2-NE2 3.87Å; H10-H117 AromaticContact NE2-CE1 3.6Å; H10-H117 AromaticContact NE2-NE2 3.46Å; H10-H117 PolarHBondContact NE2-NE2 3.15Å; H10-A138 HydrophobicContact CB-CB 4.01Å
11I97.5Very high96.8Very high16 Ų1636.7 Ų36.78%0.08220%0.203CC..THydrogen-bonded Turntrans-94.4123.1177.7-60.3171.1000109L9 C15 L40 C41 T42 T136L9-I11 HydrophobicContact CB-CD1 4.23Å; L9-I11 HydrophobicContact CB-CG1 4.17Å; L9-I11 HydrophobicContact CD2-CD1 4.09Å; L9-I11 HydrophobicContact CG-CD1 4.34Å; L9-I11 PolarHBondContact O-N 2.69Å; I11-C15 WeakPolarHBondContact CA-O 3.45Å; I11-C15 HydrophobicContact CG1-CB 4.36Å; I11-L40 VanDerWaalsContact O-O 3.06Å; I11-C41 WeakPolarHBondContact O-CB 3.36Å; I11-T42 WeakPolarHBondContact O-CG2 3.34Å; I11-T42 PolarHBondContact O-OG1 2.91Å; I11-T136 HydrophobicContact CD1-CG2 3.91Å; I11-T136 HydrophobicContact CG1-CG2 4.09Å
12P96.5Very high97Very high80 Ų8032.8 Ų32.852%0.51918%0.184SC..THydrogen-bonded Turncis-101-1.713.138.4-38.4000114.8H10 R14 C15 T42H10-P12 CarbonylContact O-C 3.54Å; P12-R14 PolarHBondContact O-N 3.16Å; P12-C15 CarbonylContact C-O 3.52Å; P12-C15 WeakPolarHBondContact CA-O 3.17Å; P12-T42 VanDerWaalsContact CD-CG2 3.41Å; P12-T42 HydrophobicContact CG-CG2 4.48Å
13H93.9Very high96.9Very high111 Ų11135 Ų3551%0.51419%0.192SC..THydrogen-bonded Turntrans-64.5-36.2-165.1-57.5-61.3000114.6H10H10-H13 PolarHBondContact O-N 2.96Å; H10-H13 VanDerWaalsContact O-N 3.08Å
14R96.5Very high96.7Very high52 Ų5242.9 Ų42.920%0.19623%0.226CC..THydrogen-bonded Turntrans-116.1-29.8-178.4-55.9-173-175.8160.312.5112.7H10 P12 A138 Y139H10-R14 HydrophobicContact CB-CB 3.73Å; H10-R14 HydrophobicContact CB-CG 3.78Å; H10-R14 PolarHBondContact CE1-NH1 2.8Å; H10-R14 PolarHBondContact NE2-NH1 3.32Å; H10-R14 VanDerWaalsContact NE2-NH1 3.19Å; H10-R14 PolarHBondContact O-N 2.87Å; P12-R14 PolarHBondContact O-N 3.16Å; R14-A138 HydrophobicContact CB-CB 4.07Å; R14-Y139 HydrophobicContact CB-CD1 4.1Å; R14-Y139 HydrophobicContact CB-CE1 3.76Å; R14-Y139 WeakPolarHBondContact CD-O 3.3Å; R14-Y139 HydrophobicContact CG-CD1 4.1Å; R14-Y139 HydrophobicContact CG-CE1 3.45Å; R14-Y139 VanDerWaalsContact CG-CE1 3.45Å; R14-Y139 PolarHBondContact NH1-O 3.25Å
15C96.1Very high96.5Very high23 Ų2346.8 Ų46.816%0.15525%0.246CC..  trans-135.5150.7-179.3-62.30000110.1H10 I11 P12 T136 A138H10-C15 PolarHBondContact O-N 3.36Å; I11-C15 WeakPolarHBondContact CA-O 3.45Å; I11-C15 HydrophobicContact CG1-CB 4.36Å; P12-C15 CarbonylContact C-O 3.52Å; P12-C15 WeakPolarHBondContact CA-O 3.17Å; C15-T136 HydrophobicContact CB-CG2 4.05Å; C15-A138 VanDerWaalsContact SG-CA 3.6Å
16N95.2Very high96.3Very high141 Ų14147.2 Ų47.275%0.75425%0.249SC*.SBendtrans-90-26.9178.363.1-2.7000113
17S95.3Very high95.9Very high45 Ų4549.8 Ų49.832%0.31526%0.264SS..SBendtrans-168.4161.8-176.675.40000112.8
18L96.5Very high95.6Very high6 Ų653.8 Ų53.83%0.03129%0.29CS..  trans-58.9143.4164.4-79.9149.1000111.1A20 K23 Y48 A135 T136L18-A20 PolarHBondContact O-N 3.02Å; L18-K23 HydrophobicContact CB-CD 4.45Å; L18-K23 HydrophobicContact CB-CG 3.91Å; L18-K23 VanDerWaalsContact O-CE 3.28Å; L18-K23 WeakPolarHBondContact O-CE 3.25Å; L18-Y48 HydrophobicContact CD1-CD1 3.94Å; L18-Y48 HydrophobicContact CD1-CE1 3.26Å; L18-A135 HydrophobicContact CD2-CB 3.56Å; L18-T136 HydrophobicContact CG-CG2 4.46Å
19P96.6Very high95.2Very high21 Ų2157.7 Ų57.714%0.13633%0.33CS..  trans-52.9140176-25.632.6000112.5K21 F22 K23 A135 P148 L167P19-K21 PolarHBondContact O-N 3.12Å; P19-F22 HydrophobicContact CB-CB 4.45Å; P19-F22 HydrophobicContact CB-CD2 4.31Å; P19-F22 HydrophobicContact CB-CG 4.27Å; P19-F22 HydrophobicContact CG-CD2 3.93Å; P19-F22 HydrophobicContact CG-CE2 4.31Å; P19-F22 HydrophobicContact CG-CG 4.39Å; P19-F22 WeakPolarHBondContact O-CB 3.31Å; P19-F22 PolarHBondContact O-N 3.15Å; P19-K23 PolarHBondContact O-N 2.8Å; P19-A135 VanDerWaalsContact CD-O 3.27Å; P19-A135 WeakPolarHBondContact CD-O 3.41Å; P19-P148 HydrophobicContact CG-CB 3.87Å; P19-P148 HydrophobicContact CG-CG 4.18Å; P19-L167 HydrophobicContact CB-CD2 3.52Å; P19-L167 HydrophobicContact CG-CD2 3.84Å
20A95.7Very high95Very high71 Ų7164 Ų6459%0.58736%0.357SS*.Hα-helixtrans-59.3-35.5-175.100000112.6L18 F22 K23 K24L18-A20 PolarHBondContact O-N 3.02Å; A20-F22 VanDerWaalsContact C-N 3.35Å; A20-K23 PolarHBondContact O-N 2.9Å; A20-K24 WeakPolarHBondContact O-CG 3.37Å; A20-K24 PolarHBondContact O-N 2.87Å; A20-K24 VanDerWaalsContact O-N 3.13Å
21K96.3Very high94.9Very high77 Ų7764.8 Ų64.834%0.33536%0.362SS..Hα-helixtrans-65.5-36175.6-65.8-158.3-177.8-176.20112.2P19 K24 L25 L167 D170 D171 V172P19-K21 PolarHBondContact O-N 3.12Å; K21-K24 PolarHBondContact O-N 3.35Å; K21-L25 WeakPolarHBondContact O-CG 3.33Å; K21-L25 PolarHBondContact O-N 2.88Å; K21-L167 HydrophobicContact CB-CD1 4.48Å; K21-L167 HydrophobicContact CD-CD1 4.33Å; K21-D170 WeakPolarHBondContact CD-O 3.33Å; K21-D170 WeakPolarHBondContact CE-O 3.5Å; K21-D170 PolarHBondContact NZ-O 3.06Å; K21-D171 IonicContact NZ-OD1 2.67Å; K21-D171 PolarHBondContact NZ-OD1 3.09Å; K21-V172 HydrophobicContact CB-CG2 3.65Å; K21-V172 HydrophobicContact CD-CG2 3.92Å; K21-V172 HydrophobicContact CG-CG2 4.42Å
22F96.5Very high94.8Very high0 Ų068.5 Ų68.50%038%0.379CS..Hα-helixtrans-69.8-43.8174.9-70-2.8000111.8P19 A20 K24 L25 L26 P148 F150 L167 V172P19-F22 HydrophobicContact CB-CB 4.45Å; P19-F22 HydrophobicContact CB-CD2 4.31Å; P19-F22 HydrophobicContact CB-CG 4.27Å; P19-F22 HydrophobicContact CG-CD2 3.93Å; P19-F22 HydrophobicContact CG-CE2 4.31Å; P19-F22 HydrophobicContact CG-CG 4.39Å; P19-F22 WeakPolarHBondContact O-CB 3.31Å; P19-F22 PolarHBondContact O-N 3.15Å; A20-F22 VanDerWaalsContact C-N 3.35Å; F22-K24 PolarHBondContact O-N 2.84Å; F22-L25 WeakPolarHBondContact O-CB 3.4Å; F22-L25 PolarHBondContact O-N 3.4Å; F22-L26 WeakPolarHBondContact O-CG 3.44Å; F22-L26 PolarHBondContact O-N 2.78Å; F22-P148 HydrophobicContact CE2-CB 3.72Å; F22-P148 HydrophobicContact CZ-CB 4.2Å; F22-P148 WeakPolarHBondContact CZ-O 3.16Å; F22-F150 HydrophobicContact CB-CD1 4.47Å; F22-F150 HydrophobicContact CB-CE1 4.02Å; F22-F150 HydrophobicContact CD1-CD1 4.25Å; F22-F150 AromaticContact CD1-CE1 3.69Å; F22-F150 HydrophobicContact CD1-CE1 3.69Å; F22-F150 AromaticContact CD2-CD1 3.68Å; F22-F150 HydrophobicContact CD2-CD1 3.68Å; F22-F150 AromaticContact CD2-CE1 3.9Å; F22-F150 HydrophobicContact CD2-CE1 3.9Å; F22-F150 HydrophobicContact CE1-CD1 4.35Å; F22-F150 HydrophobicContact CE1-CE1 4.01Å; F22-F150 AromaticContact CE2-CD1 3.79Å; F22-F150 HydrophobicContact CE2-CD1 3.79Å; F22-F150 HydrophobicContact CE2-CE1 4.21Å; F22-F150 AromaticContact CG-CD1 3.91Å; F22-F150 HydrophobicContact CG-CD1 3.91Å; F22-F150 AromaticContact CG-CE1 3.62Å; F22-F150 HydrophobicContact CG-CE1 3.62Å; F22-F150 HydrophobicContact CZ-CD1 4.11Å; F22-F150 HydrophobicContact CZ-CE1 4.25Å; F22-L167 HydrophobicContact CE1-CB 3.89Å; F22-L167 HydrophobicContact CE2-CB 4.49Å; F22-L167 HydrophobicContact CZ-CB 3.72Å; F22-V172 HydrophobicContact CD1-CG2 4.29Å; F22-V172 HydrophobicContact CE1-CG1 4.31Å; F22-V172 HydrophobicContact CE1-CG2 4.16Å
23K94.4Very high94.9Very high91 Ų9166.6 Ų66.640%0.39636%0.363SS..Hα-helixtrans-56.8-35.3174.8-70.6-179.3174.6178.80112.9L18 P19 A20 L25L18-K23 HydrophobicContact CB-CD 4.45Å; L18-K23 HydrophobicContact CB-CG 3.91Å; L18-K23 VanDerWaalsContact O-CE 3.28Å; L18-K23 WeakPolarHBondContact O-CE 3.25Å; P19-K23 PolarHBondContact O-N 2.8Å; A20-K23 PolarHBondContact O-N 2.9Å; K23-L25 VanDerWaalsContact C-N 3.3Å; K23-L25 PolarHBondContact O-N 2.94Å
24K94.4Very high95.1Very high165 Ų16561.3 Ų61.372%0.71734%0.338SS*.Hα-helixtrans-67.8-27.1175.1-73.6177.3179.9-178.80113.6A20 K21 F22A20-K24 WeakPolarHBondContact O-CG 3.37Å; A20-K24 PolarHBondContact O-N 2.87Å; A20-K24 VanDerWaalsContact O-N 3.13Å; K21-K24 PolarHBondContact O-N 3.35Å; F22-K24 PolarHBondContact O-N 2.84Å
25L94.3Very high95.2Very high82 Ų8258.9 Ų58.943%0.42933%0.329SS..Hα-helixtrans-85.6-37.4178.3-66170.2000111.9K21 F22 K23 V27 Y165 V172K21-L25 WeakPolarHBondContact O-CG 3.33Å; K21-L25 PolarHBondContact O-N 2.88Å; F22-L25 WeakPolarHBondContact O-CB 3.4Å; F22-L25 PolarHBondContact O-N 3.4Å; K23-L25 VanDerWaalsContact C-N 3.3Å; K23-L25 PolarHBondContact O-N 2.94Å; L25-V27 VanDerWaalsContact C-N 3.34Å; L25-V27 PolarHBondContact O-N 2.82Å; L25-Y165 HydrophobicContact CD1-CD1 3.78Å; L25-Y165 HydrophobicContact CD1-CE1 4.03Å; L25-V172 HydrophobicContact CD1-CG1 4.02Å; L25-V172 HydrophobicContact CD1-CG2 4.49Å
26L94.3Very high95.3Very high10 Ų1057.8 Ų57.85%0.05232%0.322CS..  trans-81.178.1179.9-62.7177.2000110.4L4 F22 I31 L52 F150L4-L26 HydrophobicContact CD1-CD2 3.64Å; L4-L26 HydrophobicContact CD2-CD2 3.9Å; L4-L26 HydrophobicContact CG-CD2 4.42Å; F22-L26 WeakPolarHBondContact O-CG 3.44Å; F22-L26 PolarHBondContact O-N 2.78Å; L26-I31 HydrophobicContact CD2-CD1 4.14Å; L26-L52 HydrophobicContact CB-CD1 4.04Å; L26-L52 HydrophobicContact CB-CD2 4.19Å; L26-L52 HydrophobicContact CD1-CD1 4.38Å; L26-L52 WeakPolarHBondContact O-CD2 3.29Å; L26-F150 HydrophobicContact CD2-CD2 4.33Å; L26-F150 HydrophobicContact CD2-CE2 3.8Å; L26-F150 HydrophobicContact CD2-CZ 4.02Å; L26-F150 HydrophobicContact CG-CZ 4.34Å
27V91.4Very high95.5Very high53 Ų5351 Ų5132%0.32129%0.286SS..  trans-101.9142.5178.3-64.40000112L25 K30L25-V27 VanDerWaalsContact C-N 3.34Å; L25-V27 PolarHBondContact O-N 2.82Å; V27-K30 HydrophobicContact CG2-CD 3.97Å; V27-K30 HydrophobicContact CG2-CG 4.47Å
28P91.4Very high95.6Very high85 Ų8548.9 Ų48.955%0.55227%0.271SS*.THydrogen-bonded Turntrans-58.1155176.7-25.334.7000113.8T51P28-T51 WeakPolarHBondContact CB-O 3.34Å; P28-T51 WeakPolarHBondContact CG-O 3.48Å
29G91.2Very high95.7Very high81 Ų8148.7 Ų48.784%0.83527%0.27SS*.THydrogen-bonded Turntrans88.2-4.5170.900000115.8
30K92.5Very high95.7Very high133 Ų13347.7 Ų47.758%0.57826%0.263SS*.SBendtrans-102.1-35.3175.3-64.3-173.7-179.6179.90113.6L2 V27 Q32L2-K30 WeakPolarHBondContact CD1-O 3.42Å; V27-K30 HydrophobicContact CG2-CD 3.97Å; V27-K30 HydrophobicContact CG2-CG 4.47Å; K30-Q32 PolarHBondContact O-OE1 3.14Å
31I96.3Very high95.5Very high18 Ų1844.5 Ų44.59%0.09224%0.236CC..  trans-93.9126.1-170-57.1171.8000108.6L4 L26 H33 I34 A53 L152L4-I31 HydrophobicContact CB-CD1 4.07Å; L4-I31 HydrophobicContact CB-CG2 3.62Å; L4-I31 HydrophobicContact CD2-CD1 3.92Å; L4-I31 HydrophobicContact CG-CD1 4.44Å; L26-I31 HydrophobicContact CD2-CD1 4.14Å; I31-H33 VanDerWaalsContact CG2-O 3.31Å; I31-H33 WeakPolarHBondContact CG2-O 3.32Å; I31-I34 HydrophobicContact CG2-CG1 4.11Å; I31-A53 HydrophobicContact CB-CB 4.45Å; I31-A53 HydrophobicContact CG2-CB 4.2Å; I31-A53 WeakPolarHBondContact O-CB 3.26Å; I31-L152 HydrophobicContact CG1-CD1 4.34Å
32Q95.9Very high95.2Very high94 Ų9442.4 Ų42.444%0.43923%0.23SC..SBendtrans-88.9-40.8-179.8-68.484.71.700112.2L2 K30L2-Q32 VanDerWaalsContact CA-OE1 3.29Å; L2-Q32 VanDerWaalsContact CB-OE1 3.27Å; L2-Q32 PolarHBondContact O-N 2.82Å; L2-Q32 PolarHBondContact O-OE1 3.17Å; L2-Q32 VanDerWaalsContact O-OE1 3.05Å; K30-Q32 PolarHBondContact O-OE1 3.14Å
33H97.4Very high95.1Very high39 Ų3949.1 Ų49.118%0.18126%0.259CS..EExtended strand (participates in β ladder)trans-130.4144.5-177.4-52.8-82.6000111.1L2 V3 L4 I31 D55L2-H33 PolarHBondContact O-N 3.36Å; V3-H33 CarbonylContact C-O 3.6Å; V3-H33 WeakPolarHBondContact CA-O 3.02Å; V3-H33 HydrophobicContact CG1-CB 4.11Å; V3-H33 HydrophobicContact CG2-CB 4.16Å; L4-H33 PolarHBondContact N-O 3.22Å; I31-H33 VanDerWaalsContact CG2-O 3.31Å; I31-H33 WeakPolarHBondContact CG2-O 3.32Å; H33-D55 CarbonylContact C-O 3.54Å; H33-D55 WeakPolarHBondContact CA-O 3.22Å; H33-D55 IonicContact CE1-OD2 2.64Å; H33-D55 PolarHBondContact CE1-OD2 3.13Å; H33-D55 VanDerWaalsContact CE1-OD2 3.32Å; H33-D55 IonicContact CG-OD2 3.11Å; H33-D55 IonicContact ND1-OD2 2.74Å; H33-D55 PolarHBondContact ND1-OD2 3.01Å
34I98.4Very high95.1Very high0 Ų052 Ų520%027%0.274CS..EExtended strand (participates in β ladder)trans-118.2126169.7-61.4176.4000108.8L4 I31 L49 L52 A53 D55 V56 H57L4-I34 HydrophobicContact CB-CG1 4.13Å; L4-I34 HydrophobicContact CD2-CD1 4.11Å; L4-I34 HydrophobicContact CD2-CG1 4.05Å; L4-I34 CarbonylContact O-C 3.13Å; L4-I34 WeakPolarHBondContact O-CA 3.45Å; I31-I34 HydrophobicContact CG2-CG1 4.11Å; I34-L49 HydrophobicContact CD1-CB 4.14Å; I34-L49 HydrophobicContact CD1-CD2 4.4Å; I34-L49 VanDerWaalsContact CD1-O 3.25Å; I34-L49 WeakPolarHBondContact CD1-O 3.32Å; I34-L49 HydrophobicContact CG2-CD1 4.34Å; I34-L49 HydrophobicContact CG2-CD2 4.47Å; I34-L52 HydrophobicContact CD1-CB 3.85Å; I34-A53 HydrophobicContact CD1-CB 3.75Å; I34-A53 HydrophobicContact CG1-CB 3.77Å; I34-D55 PolarHBondContact N-O 2.91Å; I34-V56 HydrophobicContact CB-CB 4.48Å; I34-V56 HydrophobicContact CB-CG1 4.19Å; I34-V56 HydrophobicContact CB-CG2 4.3Å; I34-V56 HydrophobicContact CD1-CG2 4.13Å; I34-V56 HydrophobicContact CG2-CG1 4.25Å; I34-H57 PolarHBondContact O-N 2.85Å
35L98.7Very high95.1Very high1 Ų144.5 Ų44.51%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-112.1105.8172.5-55.3-175.8000108.4V3 L4 V5 L6 H57 V75 I82 L84 I112 M153V3-L35 HydrophobicContact CG1-CD1 3.78Å; V3-L35 HydrophobicContact CG1-CG 3.68Å; L4-L35 PolarHBondContact O-N 3.38Å; V5-L35 WeakPolarHBondContact CA-O 3.26Å; V5-L35 HydrophobicContact CG2-CB 4.42Å; L6-L35 PolarHBondContact N-O 2.72Å; L35-H57 HydrophobicContact CD2-CB 3.79Å; L35-V75 HydrophobicContact CD1-CG2 4.19Å; L35-V75 HydrophobicContact CD2-CG2 3.89Å; L35-I82 HydrophobicContact CD1-CB 4.4Å; L35-I82 HydrophobicContact CD1-CD1 4.17Å; L35-I82 HydrophobicContact CD1-CG2 3.75Å; L35-L84 HydrophobicContact CB-CD1 4.32Å; L35-L84 HydrophobicContact CB-CD2 4.09Å; L35-I112 HydrophobicContact CB-CD1 4.32Å; L35-I112 HydrophobicContact CD1-CD1 3.63Å; L35-M153 HydrophobicContact CD1-CE 4.32Å
36C98.6Very high95.2Very high0 Ų043.7 Ų43.70%023%0.234CC..EExtended strand (participates in β ladder)trans-102.9125.3-177-173.30000111.8L6 G38 L49 H57 I58 V59L6-C36 CarbonylContact O-C 3.58Å; L6-C36 WeakPolarHBondContact O-CA 3.46Å; L6-C36 PolarHBondContact O-SG 3.19Å; L6-C36 VanDerWaalsContact O-SG 3.36Å; C36-G38 PolarHBondContact O-N 3.29Å; C36-L49 HydrophobicContact CB-CD1 4.32Å; C36-H57 PolarHBondContact N-O 2.96Å; C36-I58 HydrophobicContact CB-CB 4.31Å; C36-I58 HydrophobicContact CB-CG1 3.84Å; C36-I58 HydrophobicContact CB-CG2 4.28Å; C36-V59 PolarHBondContact O-N 3.25Å
37T98.8Very high95.2Very high0 Ų046.4 Ų46.40%025%0.249CC..  trans-70.7-9.8179.451.70000113.3L6 G7 V59 L84 H86 I112 P132L6-T37 PolarHBondContact O-N 2.88Å; G7-T37 VanDerWaalsContact CA-OG1 3.3Å; G7-T37 WeakPolarHBondContact CA-OG1 3.11Å; T37-V59 VanDerWaalsContact O-CG2 3.27Å; T37-V59 WeakPolarHBondContact O-CG2 3.41Å; T37-L84 HydrophobicContact CG2-CD1 4Å; T37-H86 WeakPolarHBondContact O-CA 3.41Å; T37-H86 VanDerWaalsContact O-CB 3.3Å; T37-H86 WeakPolarHBondContact O-CB 3.34Å; T37-H86 PolarHBondContact O-CD2 2.74Å; T37-I112 HydrophobicContact CG2-CG2 3.75Å; T37-P132 HydrophobicContact CG2-CG 4.06Å
38G98.3Very high95.4Very high0 Ų046.6 Ų46.60%024%0.244CC..SBendtrans107.2-163.4179.600000112.6D8 C36 L40 V59 D64D8-G38 PolarHBondContact N-O 3.08Å; C36-G38 PolarHBondContact O-N 3.29Å; G38-L40 VanDerWaalsContact C-N 3.27Å; G38-L40 PolarHBondContact O-N 2.97Å; G38-V59 WeakPolarHBondContact CA-O 3.49Å; G38-D64 WeakPolarHBondContact CA-OD2 3.36Å
39N98.2Very high95.7Very high1 Ų142.6 Ų42.61%0.00522%0.218CC..  trans54.343.8-174.5-81.2-10.6000112.2D8 L9 H10 C41 G61 D62 F63 D64 H86D8-N39 PolarHBondContact OD1-ND2 3.3Å; L9-N39 PolarHBondContact N-O 3.24Å; H10-N39 PolarHBondContact CE1-ND2 3.18Å; H10-N39 PolarHBondContact N-O 3.13Å; H10-N39 PolarHBondContact NE2-ND2 2.96Å; N39-C41 VanDerWaalsContact C-N 3.35Å; N39-G61 VanDerWaalsContact OD1-CA 3.29Å; N39-G61 WeakPolarHBondContact OD1-CA 3.49Å; N39-D62 PolarHBondContact ND2-OD1 3.44Å; N39-D62 PolarHBondContact OD1-N 3.43Å; N39-D62 PolarHBondContact OD1-OD1 2.93Å; N39-F63 WeakPolarHBondContact OD1-CA 3.48Å; N39-F63 WeakPolarHBondContact OD1-CB 3.41Å; N39-F63 PolarHBondContact OD1-N 3.28Å; N39-D64 PolarHBondContact N-OD1 2.64Å; N39-D64 PolarHBondContact N-OD2 2.64Å; N39-H86 PolarHBondContact ND2-CE1 3.18Å; N39-H86 VanDerWaalsContact ND2-CE1 3.31Å; N39-H86 PolarHBondContact ND2-NE2 3.47Å
40L96.5Very high95.9Very high0 Ų042.5 Ų42.50%020%0.195CC..  trans-72.8-33.6167.4-66-176.7000111.2L9 I11 G38 T42 S45 L49 I58 D64L9-L40 HydrophobicContact CD1-CD2 4.22Å; L9-L40 HydrophobicContact CD2-CD2 3.8Å; L9-L40 HydrophobicContact CG-CD2 4.4Å; I11-L40 VanDerWaalsContact O-O 3.06Å; G38-L40 VanDerWaalsContact C-N 3.27Å; G38-L40 PolarHBondContact O-N 2.97Å; L40-T42 PolarHBondContact O-N 2.67Å; L40-S45 PolarHBondContact O-OG 2.71Å; L40-L49 HydrophobicContact CD1-CD1 4.12Å; L40-L49 HydrophobicContact CD2-CD1 3.95Å; L40-I58 HydrophobicContact CD1-CD1 3.61Å; L40-I58 HydrophobicContact CD1-CG1 4.3Å; L40-I58 HydrophobicContact CD1-CG2 4.18Å; L40-D64 PolarHBondContact N-OD1 2.68Å
41C91.2Very high96.1Very high4 Ų440.1 Ų40.13%0.02719%0.191CC..  trans63.9-25.2-176.8-58.60000115.7I11 N39 F63 D64I11-C41 WeakPolarHBondContact O-CB 3.36Å; N39-C41 VanDerWaalsContact C-N 3.35Å; C41-F63 PolarHBondContact SG-O 3.4Å; C41-D64 PolarHBondContact N-OD1 2.86Å
42T91.6Very high96.1Very high33 Ų3339.4 Ų39.420%0.20219%0.188CC..SBendtrans-136.5155.6-176.550.60000114.5I11 P12 L40 E44 S45 Y46I11-T42 WeakPolarHBondContact O-CG2 3.34Å; I11-T42 PolarHBondContact O-OG1 2.91Å; P12-T42 VanDerWaalsContact CD-CG2 3.41Å; P12-T42 HydrophobicContact CG-CG2 4.48Å; L40-T42 PolarHBondContact O-N 2.67Å; T42-E44 VanDerWaalsContact C-N 3.27Å; T42-E44 PolarHBondContact O-N 2.88Å; T42-S45 PolarHBondContact O-N 2.85Å; T42-S45 PolarHBondContact OG1-OG 2.8Å; T42-Y46 PolarHBondContact O-N 3.43Å
43K93.4Very high96.1Very high141 Ų14135.3 Ų35.361%0.61317%0.17SC*.Hα-helixtrans-63.4-31.1171-172.3-177.6179.2-60.10112.3S45 Y46 D47K43-S45 PolarHBondContact O-N 3.41Å; K43-Y46 VanDerWaalsContact O-CB 3.32Å; K43-Y46 WeakPolarHBondContact O-CB 3.48Å; K43-Y46 PolarHBondContact O-N 2.81Å; K43-Y46 VanDerWaalsContact O-N 3.16Å; K43-D47 IonicContact NZ-OD1 2.69Å; K43-D47 PolarHBondContact NZ-OD1 3.02Å; K43-D47 IonicContact NZ-OD2 3.32Å; K43-D47 PolarHBondContact NZ-OD2 3.05Å; K43-D47 VanDerWaalsContact O-CG 3.26Å; K43-D47 PolarHBondContact O-N 2.83Å
44E94.1Very high95.9Very high152 Ų15236.5 Ų36.571%0.7119%0.193SC*.Hα-helixtrans-61.3-44.7177.8-173.5-179.117200111.7T42 Y46 D47 Y48T42-E44 VanDerWaalsContact C-N 3.27Å; T42-E44 PolarHBondContact O-N 2.88Å; E44-Y46 VanDerWaalsContact C-N 3.3Å; E44-Y46 PolarHBondContact O-N 3.03Å; E44-D47 PolarHBondContact O-N 2.88Å; E44-Y48 PolarHBondContact O-N 2.84Å
45S95.1Very high95.8Very high7 Ų739.7 Ų39.75%0.04921%0.21CC..Hα-helixtrans-61-39.3174.2-63.10000112L40 T42 K43 L49L40-S45 PolarHBondContact O-OG 2.71Å; T42-S45 PolarHBondContact O-N 2.85Å; T42-S45 PolarHBondContact OG1-OG 2.8Å; K43-S45 PolarHBondContact O-N 3.41Å; S45-L49 WeakPolarHBondContact O-CG 3.38Å; S45-L49 PolarHBondContact O-N 2.9Å; S45-L49 VanDerWaalsContact O-N 3.16Å
46Y95.5Very high95.7Very high65 Ų6540.3 Ų40.326%0.25521%0.214SC..Hα-helixtrans-62-50.3173.5176.3-87.5000112.2T42 K43 E44 Y48 L49 K50 I58 Y69T42-Y46 PolarHBondContact O-N 3.43Å; K43-Y46 VanDerWaalsContact O-CB 3.32Å; K43-Y46 WeakPolarHBondContact O-CB 3.48Å; K43-Y46 PolarHBondContact O-N 2.81Å; K43-Y46 VanDerWaalsContact O-N 3.16Å; E44-Y46 VanDerWaalsContact C-N 3.3Å; E44-Y46 PolarHBondContact O-N 3.03Å; Y46-Y48 VanDerWaalsContact C-N 3.26Å; Y46-Y48 PolarHBondContact O-N 2.92Å; Y46-L49 PolarHBondContact O-N 2.93Å; Y46-L49 VanDerWaalsContact O-N 3.1Å; Y46-K50 HydrophobicContact CD1-CG 4.18Å; Y46-K50 HydrophobicContact CE1-CD 4.47Å; Y46-K50 HydrophobicContact CE1-CG 3.63Å; Y46-K50 PolarHBondContact O-N 3.17Å; Y46-K50 WeakPolarHBondContact OH-CE 3.32Å; Y46-I58 HydrophobicContact CD2-CD1 3.17Å; Y46-I58 HydrophobicContact CE2-CD1 3.45Å; Y46-I58 VanDerWaalsContact CE2-CD1 3.45Å; Y46-I58 HydrophobicContact CG-CD1 4.39Å; Y46-Y69 HydrophobicContact CD2-CE1 4.39Å; Y46-Y69 WeakPolarHBondContact CD2-OH 3.38Å; Y46-Y69 HydrophobicContact CE2-CE1 4.5Å
47D95.7Very high95.7Very high67 Ų6741.3 Ų41.336%0.35822%0.219SC..Hα-helixtrans-60.9-39.3-178.9-68.7-20.5000110.1K43 E44 K50 T51K43-D47 IonicContact NZ-OD1 2.69Å; K43-D47 PolarHBondContact NZ-OD1 3.02Å; K43-D47 IonicContact NZ-OD2 3.32Å; K43-D47 PolarHBondContact NZ-OD2 3.05Å; K43-D47 VanDerWaalsContact O-CG 3.26Å; K43-D47 PolarHBondContact O-N 2.83Å; E44-D47 PolarHBondContact O-N 2.88Å; D47-K50 WeakPolarHBondContact O-CB 3.49Å; D47-K50 PolarHBondContact O-N 2.77Å; D47-T51 WeakPolarHBondContact O-CG2 3.27Å; D47-T51 PolarHBondContact O-N 3.11Å
48Y95.9Very high95.7Very high58 Ų5841.8 Ų41.823%0.22722%0.221CC..Hα-helixtrans-57.7-49172170-101000112.3L18 E44 Y46 K50 T51 L52L18-Y48 HydrophobicContact CD1-CD1 3.94Å; L18-Y48 HydrophobicContact CD1-CE1 3.26Å; E44-Y48 PolarHBondContact O-N 2.84Å; Y46-Y48 VanDerWaalsContact C-N 3.26Å; Y46-Y48 PolarHBondContact O-N 2.92Å; Y48-K50 VanDerWaalsContact C-N 3.25Å; Y48-K50 PolarHBondContact O-N 3.24Å; Y48-T51 WeakPolarHBondContact O-CB 3.11Å; Y48-T51 PolarHBondContact O-N 3.42Å; Y48-T51 PolarHBondContact O-OG1 2.79Å; Y48-L52 HydrophobicContact CD1-CD1 4.47Å; Y48-L52 HydrophobicContact CE1-CD1 3.73Å; Y48-L52 HydrophobicContact CE1-CG 4.39Å
49L96.4Very high95.7Very high0 Ų041.8 Ų41.80%022%0.221CC..Hα-helixtrans-60.7-36.4177.9-65.7-179.3000112L6 I34 C36 L40 S45 Y46 T51 L52 A53 V56L6-L49 HydrophobicContact CD1-CD1 4.32Å; L6-L49 HydrophobicContact CD1-CD2 3.97Å; L6-L49 HydrophobicContact CD2-CD2 3.83Å; L6-L49 HydrophobicContact CG-CD2 4.47Å; I34-L49 HydrophobicContact CD1-CB 4.14Å; I34-L49 HydrophobicContact CD1-CD2 4.4Å; I34-L49 VanDerWaalsContact CD1-O 3.25Å; I34-L49 WeakPolarHBondContact CD1-O 3.32Å; I34-L49 HydrophobicContact CG2-CD1 4.34Å; I34-L49 HydrophobicContact CG2-CD2 4.47Å; C36-L49 HydrophobicContact CB-CD1 4.32Å; L40-L49 HydrophobicContact CD1-CD1 4.12Å; L40-L49 HydrophobicContact CD2-CD1 3.95Å; S45-L49 WeakPolarHBondContact O-CG 3.38Å; S45-L49 PolarHBondContact O-N 2.9Å; S45-L49 VanDerWaalsContact O-N 3.16Å; Y46-L49 PolarHBondContact O-N 2.93Å; Y46-L49 VanDerWaalsContact O-N 3.1Å; L49-T51 PolarHBondContact O-N 3.02Å; L49-L52 HydrophobicContact CD2-CD1 4.28Å; L49-L52 WeakPolarHBondContact O-CB 3.5Å; L49-L52 PolarHBondContact O-N 2.86Å; L49-A53 PolarHBondContact O-N 3.49Å; L49-V56 HydrophobicContact CB-CG1 4.17Å; L49-V56 HydrophobicContact CD1-CG1 4.48Å
50K96.1Very high95.7Very high79 Ų7945.4 Ų45.434%0.34323%0.234SC..Hα-helixtrans-65-22.4174.4-78.2-71.9179.6-175.20114.1Y46 D47 Y48 L52 G54 V56Y46-K50 HydrophobicContact CD1-CG 4.18Å; Y46-K50 HydrophobicContact CE1-CD 4.47Å; Y46-K50 HydrophobicContact CE1-CG 3.63Å; Y46-K50 PolarHBondContact O-N 3.17Å; Y46-K50 WeakPolarHBondContact OH-CE 3.32Å; D47-K50 WeakPolarHBondContact O-CB 3.49Å; D47-K50 PolarHBondContact O-N 2.77Å; Y48-K50 VanDerWaalsContact C-N 3.25Å; Y48-K50 PolarHBondContact O-N 3.24Å; K50-L52 VanDerWaalsContact C-N 3.33Å; K50-G54 PolarHBondContact NZ-O 2.86Å; K50-V56 HydrophobicContact CD-CB 4.28Å; K50-V56 HydrophobicContact CD-CG2 3.74Å; K50-V56 HydrophobicContact CG-CG2 4.28Å
51T96.3Very high95.8Very high83 Ų8345.4 Ų45.451%0.50924%0.235SC..Hα-helixtrans-73.3-26.4170.874.70000112.8P28 D47 Y48 L49P28-T51 WeakPolarHBondContact CB-O 3.34Å; P28-T51 WeakPolarHBondContact CG-O 3.48Å; D47-T51 WeakPolarHBondContact O-CG2 3.27Å; D47-T51 PolarHBondContact O-N 3.11Å; Y48-T51 WeakPolarHBondContact O-CB 3.11Å; Y48-T51 PolarHBondContact O-N 3.42Å; Y48-T51 PolarHBondContact O-OG1 2.79Å; L49-T51 PolarHBondContact O-N 3.02Å
52L96.1Very high96.1Very high4 Ų448.8 Ų48.82%0.02125%0.253CS..Hα-helixtrans-82.8-41.2-176.8-60.9-178000112.3L4 L26 I34 Y48 L49 K50L4-L52 HydrophobicContact CD2-CD1 4.08Å; L26-L52 HydrophobicContact CB-CD1 4.04Å; L26-L52 HydrophobicContact CB-CD2 4.19Å; L26-L52 HydrophobicContact CD1-CD1 4.38Å; L26-L52 WeakPolarHBondContact O-CD2 3.29Å; I34-L52 HydrophobicContact CD1-CB 3.85Å; Y48-L52 HydrophobicContact CD1-CD1 4.47Å; Y48-L52 HydrophobicContact CE1-CD1 3.73Å; Y48-L52 HydrophobicContact CE1-CG 4.39Å; L49-L52 HydrophobicContact CD2-CD1 4.28Å; L49-L52 WeakPolarHBondContact O-CB 3.5Å; L49-L52 PolarHBondContact O-N 2.86Å; K50-L52 VanDerWaalsContact C-N 3.33Å
53A95.8Very high96.4Very high7 Ų751.8 Ų51.86%0.05826%0.263CS..  trans-147.5148.5177.600000111.6I31 I34 L49 V56I31-A53 HydrophobicContact CB-CB 4.45Å; I31-A53 HydrophobicContact CG2-CB 4.2Å; I31-A53 WeakPolarHBondContact O-CB 3.26Å; I34-A53 HydrophobicContact CD1-CB 3.75Å; I34-A53 HydrophobicContact CG1-CB 3.77Å; L49-A53 PolarHBondContact O-N 3.49Å; A53-V56 VanDerWaalsContact O-CG2 3.26Å; A53-V56 WeakPolarHBondContact O-CG2 3.42Å
54G92.9Very high96.5Very high65 Ų6545.5 Ų45.567%0.6724%0.236SC*.SBendtrans-70.1-37.6175.500000112.8K50K50-G54 PolarHBondContact NZ-O 2.86Å
55D96.4Very high96.4Very high66 Ų6644.9 Ų44.935%0.35323%0.233SC..EExtended strand (participates in β ladder)trans-95.3107.8-178.6-164.225.2000111.4H33 I34 H57H33-D55 CarbonylContact C-O 3.54Å; H33-D55 WeakPolarHBondContact CA-O 3.22Å; H33-D55 IonicContact CE1-OD2 2.64Å; H33-D55 PolarHBondContact CE1-OD2 3.13Å; H33-D55 VanDerWaalsContact CE1-OD2 3.32Å; H33-D55 IonicContact CG-OD2 3.11Å; H33-D55 IonicContact ND1-OD2 2.74Å; H33-D55 PolarHBondContact ND1-OD2 3.01Å; I34-D55 PolarHBondContact N-O 2.91Å; D55-H57 IonicContact OD1-CD2 3.13Å; D55-H57 IonicContact OD1-CE1 3.91Å; D55-H57 IonicContact OD1-NE2 2.85Å; D55-H57 PolarHBondContact OD1-NE2 2.66Å; D55-H57 IonicContact OD2-NE2 3.67Å; D55-H57 PolarHBondContact OD2-NE2 2.89Å; D55-H57 VanDerWaalsContact OD2-NE2 3.16Å
56V97.6Very high96.3Very high15 Ų1547.3 Ų47.39%0.09125%0.246CC..EExtended strand (participates in β ladder)trans-130.7120.1-171.7-175.40000108.9I34 L49 K50 A53 I58I34-V56 HydrophobicContact CB-CB 4.48Å; I34-V56 HydrophobicContact CB-CG1 4.19Å; I34-V56 HydrophobicContact CB-CG2 4.3Å; I34-V56 HydrophobicContact CD1-CG2 4.13Å; I34-V56 HydrophobicContact CG2-CG1 4.25Å; L49-V56 HydrophobicContact CB-CG1 4.17Å; L49-V56 HydrophobicContact CD1-CG1 4.48Å; K50-V56 HydrophobicContact CD-CB 4.28Å; K50-V56 HydrophobicContact CD-CG2 3.74Å; K50-V56 HydrophobicContact CG-CG2 4.28Å; A53-V56 VanDerWaalsContact O-CG2 3.26Å; A53-V56 WeakPolarHBondContact O-CG2 3.42Å; V56-I58 HydrophobicContact CG1-CD1 4.1Å; V56-I58 HydrophobicContact CG1-CG1 4.02Å
57H98.2Very high96.2Very high21 Ų2149.7 Ų49.710%0.09726%0.262CS..EExtended strand (participates in β ladder)trans-113130.2178.3-58.2-106.6000108.6I34 L35 C36 D55 K73 V75 L84I34-H57 PolarHBondContact O-N 2.85Å; L35-H57 HydrophobicContact CD2-CB 3.79Å; C36-H57 PolarHBondContact N-O 2.96Å; D55-H57 IonicContact OD1-CD2 3.13Å; D55-H57 IonicContact OD1-CE1 3.91Å; D55-H57 IonicContact OD1-NE2 2.85Å; D55-H57 PolarHBondContact OD1-NE2 2.66Å; D55-H57 IonicContact OD2-NE2 3.67Å; D55-H57 PolarHBondContact OD2-NE2 2.89Å; D55-H57 VanDerWaalsContact OD2-NE2 3.16Å; H57-K73 HydrophobicContact CB-CD 4.13Å; H57-K73 WeakPolarHBondContact ND1-CE 3.45Å; H57-K73 PolarHBondContact ND1-NZ 3.26Å; H57-V75 VanDerWaalsContact CE1-CG1 3.48Å; H57-V75 WeakPolarHBondContact CE1-CG1 3.34Å; H57-V75 VanDerWaalsContact ND1-CG1 3.3Å; H57-V75 WeakPolarHBondContact ND1-CG1 3.23Å; H57-L84 HydrophobicContact CB-CD2 4.36Å
58I98.2Very high96.2Very high10 Ų1053.4 Ų53.45%0.05128%0.282CS..EExtended strand (participates in β ladder)trans-133.5137.3-179.2-54.4165.6000106.3C36 L40 Y46 V56 Y69 P70C36-I58 HydrophobicContact CB-CB 4.31Å; C36-I58 HydrophobicContact CB-CG1 3.84Å; C36-I58 HydrophobicContact CB-CG2 4.28Å; L40-I58 HydrophobicContact CD1-CD1 3.61Å; L40-I58 HydrophobicContact CD1-CG1 4.3Å; L40-I58 HydrophobicContact CD1-CG2 4.18Å; Y46-I58 HydrophobicContact CD2-CD1 3.17Å; Y46-I58 HydrophobicContact CE2-CD1 3.45Å; Y46-I58 VanDerWaalsContact CE2-CD1 3.45Å; Y46-I58 HydrophobicContact CG-CD1 4.39Å; V56-I58 HydrophobicContact CG1-CD1 4.1Å; V56-I58 HydrophobicContact CG1-CG1 4.02Å; I58-Y69 HydrophobicContact CB-CD1 4.3Å; I58-Y69 HydrophobicContact CB-CE1 4.41Å; I58-Y69 HydrophobicContact CB-CG 4.48Å; I58-Y69 HydrophobicContact CD1-CE1 4.12Å; I58-Y69 HydrophobicContact CG2-CD1 4.34Å; I58-Y69 HydrophobicContact CG2-CD2 3.9Å; I58-Y69 HydrophobicContact CG2-CE1 4.46Å; I58-Y69 HydrophobicContact CG2-CE2 4.01Å; I58-Y69 HydrophobicContact CG2-CG 4.09Å; I58-P70 WeakPolarHBondContact O-CD 3.43Å
59V98.5Very high96.3Very high0 Ų052.1 Ų52.10%028%0.277CS..  trans-108.3157.5166.6-64.20000109.6C36 T37 G38 G61 P70 K73 L84C36-V59 PolarHBondContact O-N 3.25Å; T37-V59 VanDerWaalsContact O-CG2 3.27Å; T37-V59 WeakPolarHBondContact O-CG2 3.41Å; G38-V59 WeakPolarHBondContact CA-O 3.49Å; V59-G61 PolarHBondContact O-N 2.92Å; V59-P70 CarbonylContact C-O 3.47Å; V59-P70 WeakPolarHBondContact CA-O 3.41Å; V59-P70 WeakPolarHBondContact CB-O 3.5Å; V59-K73 HydrophobicContact CG1-CB 3.92Å; V59-L84 HydrophobicContact CB-CG 4.43Å; V59-L84 HydrophobicContact CG1-CB 4.14Å; V59-L84 HydrophobicContact CG1-CD2 3.89Å; V59-L84 HydrophobicContact CG1-CG 3.73Å; V59-L84 HydrophobicContact CG2-CD1 4.49Å; V59-L84 HydrophobicContact CG2-CD2 4.38Å; V59-L84 HydrophobicContact CG2-CG 3.86Å
60R98.5Very high96.4Very high76 Ų7654.9 Ų54.929%0.28730%0.295SS..  trans-76.7121.5-172.6-173.2169.2168.8-136.6-5.4111.5D64 P70 E71 H86R60-D64 HydrophobicContact CG-CB 4.4Å; R60-P70 PolarHBondContact N-O 3.41Å; R60-E71 IonicContact CZ-OE1 3.95Å; R60-E71 IonicContact NH1-OE1 3.34Å; R60-E71 PolarHBondContact NH1-OE1 3.31Å; R60-E71 VanDerWaalsContact NH1-OE1 3.13Å; R60-H86 VanDerWaalsContact O-CB 3.32Å; R60-H86 WeakPolarHBondContact O-CB 3.5Å
61G98.3Very high96.5Very high1 Ų154.8 Ų54.81%0.0130%0.296CS..  trans-83.3164164.800000113.1N39 V59 F63 D64 H86N39-G61 VanDerWaalsContact OD1-CA 3.29Å; N39-G61 WeakPolarHBondContact OD1-CA 3.49Å; V59-G61 PolarHBondContact O-N 2.92Å; G61-F63 PolarHBondContact O-N 3.42Å; G61-D64 WeakPolarHBondContact CA-OD2 3.23Å; G61-D64 PolarHBondContact N-OD2 3.31Å; G61-D64 PolarHBondContact O-N 3.47Å; G61-H86 WeakPolarHBondContact CA-CD2 3.37Å
62D97.6Very high96.6Very high75 Ų7555.1 Ų55.140%0.40129%0.291SS..THydrogen-bonded Turntrans-68.4-19.518056.9-32.8000113.3N39 H86 H88N39-D62 PolarHBondContact ND2-OD1 3.44Å; N39-D62 PolarHBondContact OD1-N 3.43Å; N39-D62 PolarHBondContact OD1-OD1 2.93Å; D62-H86 IonicContact OD1-CE1 3.6Å; D62-H86 PolarHBondContact OD1-CE1 2.86Å; D62-H86 IonicContact OD1-ND1 3.86Å; D62-H86 IonicContact OD1-NE2 3.17Å; D62-H88 HydrophobicContact CB-CB 4.28Å
63F97.2Very high96.7Very high96 Ų9658.6 Ų58.642%0.42131%0.306SS..THydrogen-bonded Turntrans-108.56.9174.7-68.5-95.6000113.8H10 N39 C41 G61 E65H10-F63 AromaticContact CE1-CD2 3.5Å; H10-F63 VanDerWaalsContact CE1-CD2 3.5Å; H10-F63 WeakPolarHBondContact CE1-CD2 3.48Å; H10-F63 AromaticContact CE1-CG 3.73Å; N39-F63 WeakPolarHBondContact OD1-CA 3.48Å; N39-F63 WeakPolarHBondContact OD1-CB 3.41Å; N39-F63 PolarHBondContact OD1-N 3.28Å; C41-F63 PolarHBondContact SG-O 3.4Å; G61-F63 PolarHBondContact O-N 3.42Å; F63-E65 PolarHBondContact O-N 2.99Å
64D97Very high96.8Very high9 Ų961.5 Ų61.55%0.04832%0.323CS..  trans-75.6123.5175.9-81-46.4000111.6G38 N39 L40 C41 R60 G61 N66 Y69G38-D64 WeakPolarHBondContact CA-OD2 3.36Å; N39-D64 PolarHBondContact N-OD1 2.64Å; N39-D64 PolarHBondContact N-OD2 2.64Å; L40-D64 PolarHBondContact N-OD1 2.68Å; C41-D64 PolarHBondContact N-OD1 2.86Å; R60-D64 HydrophobicContact CG-CB 4.4Å; G61-D64 WeakPolarHBondContact CA-OD2 3.23Å; G61-D64 PolarHBondContact N-OD2 3.31Å; G61-D64 PolarHBondContact O-N 3.47Å; D64-N66 VanDerWaalsContact C-N 3.3Å; D64-N66 PolarHBondContact O-N 3.19Å; D64-Y69 HydrophobicContact CB-CD2 4.38Å
65E91.1Very high97Very high138 Ų13859.1 Ų59.165%0.64530%0.296SS*.SBendtrans-69.2-29.2174.7-61.8-175.3167.600112.4F63 L67F63-E65 PolarHBondContact O-N 2.99Å; E65-L67 PolarHBondContact O-N 3.02Å; E65-L67 VanDerWaalsContact O-N 3.11Å
66N93.2Very high97.1Very high59 Ų5960.6 Ų60.632%0.31631%0.307SS..  trans-80.696.2-179.9-172.6-2.1000111D64 N68 Y69D64-N66 VanDerWaalsContact C-N 3.3Å; D64-N66 PolarHBondContact O-N 3.19Å; N66-N68 PolarHBondContact O-N 3.36Å; N66-N68 VanDerWaalsContact O-N 3.15Å; N66-N68 VanDerWaalsContact OD1-CB 3.31Å; N66-N68 WeakPolarHBondContact OD1-CB 3.29Å; N66-N68 PolarHBondContact OD1-N 2.91Å; N66-N68 VanDerWaalsContact OD1-N 3.09Å; N66-N68 PolarHBondContact OD1-ND2 3.36Å; N66-Y69 HydrophobicContact CB-CD2 4.02Å; N66-Y69 HydrophobicContact CB-CE1 4.48Å; N66-Y69 HydrophobicContact CB-CE2 3.65Å; N66-Y69 VanDerWaalsContact ND2-CE1 3.32Å; N66-Y69 WeakPolarHBondContact ND2-CE1 3.41Å; N66-Y69 VanDerWaalsContact ND2-CZ 3.3Å; N66-Y69 PolarHBondContact ND2-OH 2.83Å; N66-Y69 WeakPolarHBondContact O-CD2 3.37Å; N66-Y69 PolarHBondContact O-N 3.27Å
67L92.6Very high97Very high115 Ų11560.1 Ų60.160%0.60230%0.304SS*.THydrogen-bonded Turntrans-69.8-6.8-179.9-47.3-177.6000114.1E65 Y69E65-L67 PolarHBondContact O-N 3.02Å; E65-L67 VanDerWaalsContact O-N 3.11Å; L67-Y69 VanDerWaalsContact C-N 3.32Å
68N96.2Very high96.8Very high145 Ų14561.2 Ų61.278%0.77532%0.322SS*.THydrogen-bonded Turntrans-82.4-10.1179.2-57.2-60.8000113.1N66N66-N68 PolarHBondContact O-N 3.36Å; N66-N68 VanDerWaalsContact O-N 3.15Å; N66-N68 VanDerWaalsContact OD1-CB 3.31Å; N66-N68 WeakPolarHBondContact OD1-CB 3.29Å; N66-N68 PolarHBondContact OD1-N 2.91Å; N66-N68 VanDerWaalsContact OD1-N 3.09Å; N66-N68 PolarHBondContact OD1-ND2 3.36Å
69Y97.3Very high96.7Very high31 Ų3166 Ų6612%0.12234%0.344CS..SBendtrans-67.3137.5172.7-61.7-34.6000110Y46 I58 D64 N66 L67Y46-Y69 HydrophobicContact CD2-CE1 4.39Å; Y46-Y69 WeakPolarHBondContact CD2-OH 3.38Å; Y46-Y69 HydrophobicContact CE2-CE1 4.5Å; I58-Y69 HydrophobicContact CB-CD1 4.3Å; I58-Y69 HydrophobicContact CB-CE1 4.41Å; I58-Y69 HydrophobicContact CB-CG 4.48Å; I58-Y69 HydrophobicContact CD1-CE1 4.12Å; I58-Y69 HydrophobicContact CG2-CD1 4.34Å; I58-Y69 HydrophobicContact CG2-CD2 3.9Å; I58-Y69 HydrophobicContact CG2-CE1 4.46Å; I58-Y69 HydrophobicContact CG2-CE2 4.01Å; I58-Y69 HydrophobicContact CG2-CG 4.09Å; D64-Y69 HydrophobicContact CB-CD2 4.38Å; N66-Y69 HydrophobicContact CB-CD2 4.02Å; N66-Y69 HydrophobicContact CB-CE1 4.48Å; N66-Y69 HydrophobicContact CB-CE2 3.65Å; N66-Y69 VanDerWaalsContact ND2-CE1 3.32Å; N66-Y69 WeakPolarHBondContact ND2-CE1 3.41Å; N66-Y69 VanDerWaalsContact ND2-CZ 3.3Å; N66-Y69 PolarHBondContact ND2-OH 2.83Å; N66-Y69 WeakPolarHBondContact O-CD2 3.37Å; N66-Y69 PolarHBondContact O-N 3.27Å; L67-Y69 VanDerWaalsContact C-N 3.32Å
70P98.3Very high96.7Very high57 Ų5766 Ų6637%0.3734%0.344SS..  trans-69.8148.3177.231.1-36.2000110.6I58 V59 R60 Q72I58-P70 WeakPolarHBondContact O-CD 3.43Å; V59-P70 CarbonylContact C-O 3.47Å; V59-P70 WeakPolarHBondContact CA-O 3.41Å; V59-P70 WeakPolarHBondContact CB-O 3.5Å; R60-P70 PolarHBondContact N-O 3.41Å; P70-Q72 PolarHBondContact O-N 3.24Å
71E98.2Very high96.7Very high78 Ų7866.1 Ų66.136%0.36435%0.346SS..SBendtrans-62.4-33.4175.6-68.6-64.214600112.6R60 Q89R60-E71 IonicContact CZ-OE1 3.95Å; R60-E71 IonicContact NH1-OE1 3.34Å; R60-E71 PolarHBondContact NH1-OE1 3.31Å; R60-E71 VanDerWaalsContact NH1-OE1 3.13Å; E71-Q89 PolarHBondContact OE2-NE2 3.36Å
72Q98.4Very high96.7Very high89 Ų8966.1 Ų66.142%0.41635%0.346SS..EExtended strand (participates in β ladder)trans-147.7156.6179.969.1-164.811.400110.4P70 L84 I85 F106P70-Q72 PolarHBondContact O-N 3.24Å; Q72-L84 CarbonylContact C-O 3.53Å; Q72-L84 VanDerWaalsContact CA-O 3.25Å; Q72-L84 WeakPolarHBondContact CA-O 3.13Å; Q72-I85 HydrophobicContact CB-CG1 4.5Å; Q72-F106 HydrophobicContact CB-CE2 4.26Å; Q72-F106 HydrophobicContact CB-CZ 3.9Å; Q72-F106 VanDerWaalsContact CD-CE1 3.42Å; Q72-F106 HydrophobicContact CG-CE1 4.4Å; Q72-F106 HydrophobicContact CG-CZ 4.16Å
73K98.5Very high96.8Very high77 Ų7762.5 Ų62.534%0.33533%0.327SS..EExtended strand (participates in β ladder)trans-145.4140.7176.3-162.5170.2-1721750110.7H57 V59 V75 G83 L84H57-K73 HydrophobicContact CB-CD 4.13Å; H57-K73 WeakPolarHBondContact ND1-CE 3.45Å; H57-K73 PolarHBondContact ND1-NZ 3.26Å; V59-K73 HydrophobicContact CG1-CB 3.92Å; K73-V75 HydrophobicContact CD-CG1 4.31Å; K73-V75 HydrophobicContact CG-CG1 4.19Å; K73-G83 CarbonylContact O-C 3.58Å; K73-L84 PolarHBondContact N-O 2.81Å; K73-L84 PolarHBondContact O-N 3.04Å
74V98.7Very high96.8Very high68 Ų6858 Ų5841%0.41231%0.307SS..EExtended strand (participates in β ladder)trans-110.4132.5167.6179.30000108.3I82 F106 V108V74-I82 WeakPolarHBondContact CA-O 3.42Å; V74-F106 HydrophobicContact CG2-CB 3.99Å; V74-F106 HydrophobicContact CG2-CD2 4.5Å; V74-F106 HydrophobicContact CG2-CG 4.3Å; V74-V108 HydrophobicContact CG1-CG1 3.82Å; V74-V108 HydrophobicContact CG2-CG1 3.97Å
75V98.1Very high96.9Very high15 Ų1557.8 Ų57.89%0.09131%0.306CS..EExtended strand (participates in β ladder)trans-128.8156.8176.1-59.70000109.6L35 H57 K73 V77 I82L35-V75 HydrophobicContact CD1-CG2 4.19Å; L35-V75 HydrophobicContact CD2-CG2 3.89Å; H57-V75 VanDerWaalsContact CE1-CG1 3.48Å; H57-V75 WeakPolarHBondContact CE1-CG1 3.34Å; H57-V75 VanDerWaalsContact ND1-CG1 3.3Å; H57-V75 WeakPolarHBondContact ND1-CG1 3.23Å; K73-V75 HydrophobicContact CD-CG1 4.31Å; K73-V75 HydrophobicContact CG-CG1 4.19Å; V75-V77 HydrophobicContact CG2-CG2 4.38Å; V75-I82 HydrophobicContact CG2-CB 3.89Å; V75-I82 PolarHBondContact N-O 3.25Å; V75-I82 PolarHBondContact O-N 3.1Å
76T97.7Very high97.3Very high97 Ų9751.2 Ų51.260%0.59528%0.275SS*.EExtended strand (participates in β ladder)trans-114.7122.5172.4-58.70000108.7F80T76-F80 WeakPolarHBondContact CA-O 3.25Å
77V96.4Very high97.5Very high5 Ų548.6 Ų48.63%0.0326%0.262CS..EExtended strand (participates in β ladder)trans-124.2109.6174.3-1750000107.8M1 V3 V75 Q79 F80 I82 I155M1-V77 HydrophobicContact CB-CG1 4.27Å; M1-V77 HydrophobicContact CE-CG1 3.96Å; M1-V77 HydrophobicContact SD-CG1 3.94Å; V3-V77 HydrophobicContact CG2-CB 4.5Å; V3-V77 HydrophobicContact CG2-CG1 3.81Å; V3-V77 HydrophobicContact CG2-CG2 4.38Å; V75-V77 HydrophobicContact CG2-CG2 4.38Å; V77-Q79 PolarHBondContact O-N 3.45Å; V77-F80 PolarHBondContact N-O 3.16Å; V77-F80 PolarHBondContact O-N 3.16Å; V77-I82 HydrophobicContact CB-CD1 4.07Å; V77-I82 HydrophobicContact CG2-CD1 4.05Å; V77-I155 HydrophobicContact CB-CD1 3.91Å; V77-I155 HydrophobicContact CG1-CD1 3.74Å
78G93.9Very high97.8Very high45 Ų4545.5 Ų45.546%0.46424%0.244SC..THydrogen-bonded Turntrans62.7-126-171.800000111.8M1M1-G78 VanDerWaalsContact CE-N 3.29Å
79Q95.5Very high97.9Very high110 Ų11041.9 Ų41.951%0.51422%0.223SC..THydrogen-bonded Turntrans-91.31.1179.8-59.1-170.813.200113.9V77 A157 K181V77-Q79 PolarHBondContact O-N 3.45Å; Q79-A157 WeakPolarHBondContact CB-O 3.15Å; Q79-A157 WeakPolarHBondContact CG-O 3.31Å; Q79-K181 PolarHBondContact O-NZ 3.41Å
80F98Very high97.9Very high0 Ų040.7 Ų40.70%022%0.219CC..EExtended strand (participates in β ladder)trans-102.7128.3-176.4-64-89000110.9T76 V77 I82 D109 I110 I155 S158 V160 Y179 K181T76-F80 WeakPolarHBondContact CA-O 3.25Å; V77-F80 PolarHBondContact N-O 3.16Å; V77-F80 PolarHBondContact O-N 3.16Å; F80-I82 HydrophobicContact CB-CG1 4.22Å; F80-D109 HydrophobicContact CD1-CB 3.94Å; F80-I110 HydrophobicContact CB-CD1 4.21Å; F80-I110 HydrophobicContact CD1-CD1 3.84Å; F80-I110 HydrophobicContact CD1-CG1 4.01Å; F80-I110 HydrophobicContact CE1-CD1 4.43Å; F80-I110 HydrophobicContact CG-CD1 4.1Å; F80-I155 HydrophobicContact CD2-CG2 3.6Å; F80-I155 HydrophobicContact CE2-CG2 3.89Å; F80-S158 VanDerWaalsContact CZ-C 3.41Å; F80-S158 WeakPolarHBondContact CZ-O 3.32Å; F80-V160 HydrophobicContact CE2-CB 4.39Å; F80-V160 HydrophobicContact CZ-CB 4.24Å; F80-V160 HydrophobicContact CZ-CG1 4.38Å; F80-Y179 HydrophobicContact CD1-CE1 4.25Å; F80-Y179 AromaticContact CE1-CD1 3.91Å; F80-Y179 HydrophobicContact CE1-CD1 3.91Å; F80-Y179 AromaticContact CE1-CE1 3.63Å; F80-Y179 HydrophobicContact CE1-CE1 3.63Å; F80-K181 HydrophobicContact CD1-CD 4.38Å; F80-K181 HydrophobicContact CE1-CB 3.75Å; F80-K181 HydrophobicContact CE1-CD 4.4Å; F80-K181 HydrophobicContact CZ-CB 4.14Å
81K98.2Very high97.9Very high79 Ų7944.4 Ų44.434%0.34323%0.234SC..EExtended strand (participates in β ladder)trans-82.4127.1158.4-78.4-175.9176.1-177.50108.6D107 V108 D109 I110K81-D107 WeakPolarHBondContact CD-O 3.26Å; K81-D107 IonicContact NZ-OD2 2.75Å; K81-D107 PolarHBondContact NZ-OD2 3.44Å; K81-V108 HydrophobicContact CB-CB 4.35Å; K81-V108 HydrophobicContact CB-CG1 4.24Å; K81-D109 PolarHBondContact N-OD2 3.47Å; K81-D109 PolarHBondContact O-N 3.24Å; K81-I110 PolarHBondContact O-N 3.03Å; K81-I110 VanDerWaalsContact O-N 3.14Å
82I98.7Very high97.8Very high0 Ų044.7 Ų44.70%024%0.243CC..EExtended strand (participates in β ladder)trans-119.1119-176.6-50.1178.3000108.4L35 V74 V75 V77 F80 I110 I112 M153 I155L35-I82 HydrophobicContact CD1-CB 4.4Å; L35-I82 HydrophobicContact CD1-CD1 4.17Å; L35-I82 HydrophobicContact CD1-CG2 3.75Å; V74-I82 WeakPolarHBondContact CA-O 3.42Å; V75-I82 HydrophobicContact CG2-CB 3.89Å; V75-I82 PolarHBondContact N-O 3.25Å; V75-I82 PolarHBondContact O-N 3.1Å; V77-I82 HydrophobicContact CB-CD1 4.07Å; V77-I82 HydrophobicContact CG2-CD1 4.05Å; F80-I82 HydrophobicContact CB-CG1 4.22Å; I82-I110 CarbonylContact C-O 3.56Å; I82-I110 WeakPolarHBondContact CA-O 3.44Å; I82-I110 HydrophobicContact CG1-CB 4.26Å; I82-I110 HydrophobicContact CG1-CD1 4.36Å; I82-I110 HydrophobicContact CG2-CB 4.22Å; I82-I110 HydrophobicContact CG2-CG2 4.34Å; I82-I112 HydrophobicContact CG2-CD1 3.49Å; I82-I112 VanDerWaalsContact CG2-CD1 3.49Å; I82-I112 HydrophobicContact CG2-CG1 3.88Å; I82-M153 HydrophobicContact CD1-CE 4.03Å; I82-I155 HydrophobicContact CD1-CD1 3.92Å
83G98.8Very high97.8Very high0 Ų044.9 Ų44.90%024%0.24CC..EExtended strand (participates in β ladder)trans-87.9141.2170.600000110.2K73 I110 I112K73-G83 CarbonylContact O-C 3.58Å; G83-I110 PolarHBondContact N-O 2.8Å; G83-I112 PolarHBondContact O-N 3.3Å
84L98.9Very high97.7Very high0 Ų042.5 Ų42.50%024%0.237CC..EExtended strand (participates in β ladder)trans-131.6129.4179.2-17663.9000108.3L35 T37 H57 V59 Q72 K73 I112L35-L84 HydrophobicContact CB-CD1 4.32Å; L35-L84 HydrophobicContact CB-CD2 4.09Å; T37-L84 HydrophobicContact CG2-CD1 4Å; H57-L84 HydrophobicContact CB-CD2 4.36Å; V59-L84 HydrophobicContact CB-CG 4.43Å; V59-L84 HydrophobicContact CG1-CB 4.14Å; V59-L84 HydrophobicContact CG1-CD2 3.89Å; V59-L84 HydrophobicContact CG1-CG 3.73Å; V59-L84 HydrophobicContact CG2-CD1 4.49Å; V59-L84 HydrophobicContact CG2-CD2 4.38Å; V59-L84 HydrophobicContact CG2-CG 3.86Å; Q72-L84 CarbonylContact C-O 3.53Å; Q72-L84 VanDerWaalsContact CA-O 3.25Å; Q72-L84 WeakPolarHBondContact CA-O 3.13Å; K73-L84 PolarHBondContact N-O 2.81Å; K73-L84 PolarHBondContact O-N 3.04Å; L84-I112 WeakPolarHBondContact CA-O 3.5Å; L84-I112 HydrophobicContact CD1-CB 3.82Å; L84-I112 HydrophobicContact CD1-CG2 3.63Å
85I98.8Very high97.7Very high5 Ų541.8 Ų41.83%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-148.2154.8175.7-170.1170.9000108.6Q72 Q89 L102 F106 L111 I112 S113Q72-I85 HydrophobicContact CB-CG1 4.5Å; I85-Q89 HydrophobicContact CD1-CB 4.42Å; I85-L102 HydrophobicContact CD1-CD1 4Å; I85-F106 HydrophobicContact CD1-CZ 4.45Å; I85-L111 HydrophobicContact CG2-CD1 4.48Å; I85-I112 PolarHBondContact N-O 2.8Å; I85-S113 WeakPolarHBondContact O-CA 3.35Å
86H98.8Very high97.7Very high0 Ų043.3 Ų43.30%024%0.238CC..  trans-68.5-44.6173.7-176.8-91.4000111.9D8 T37 N39 R60 G61 D62 H88 G114 H115D8-H86 IonicContact OD1-CE1 3.85Å; D8-H86 IonicContact OD1-NE2 3.16Å; D8-H86 PolarHBondContact OD1-NE2 2.84Å; D8-H86 VanDerWaalsContact OD1-NE2 3.11Å; T37-H86 WeakPolarHBondContact O-CA 3.41Å; T37-H86 VanDerWaalsContact O-CB 3.3Å; T37-H86 WeakPolarHBondContact O-CB 3.34Å; T37-H86 PolarHBondContact O-CD2 2.74Å; N39-H86 PolarHBondContact ND2-CE1 3.18Å; N39-H86 VanDerWaalsContact ND2-CE1 3.31Å; N39-H86 PolarHBondContact ND2-NE2 3.47Å; R60-H86 VanDerWaalsContact O-CB 3.32Å; R60-H86 WeakPolarHBondContact O-CB 3.5Å; G61-H86 WeakPolarHBondContact CA-CD2 3.37Å; D62-H86 IonicContact OD1-CE1 3.6Å; D62-H86 PolarHBondContact OD1-CE1 2.86Å; D62-H86 IonicContact OD1-ND1 3.86Å; D62-H86 IonicContact OD1-NE2 3.17Å; H86-H88 AromaticContact CE1-ND1 3.97Å; H86-H88 AromaticContact CG-ND1 3.5Å; H86-H88 AromaticContact ND1-CG 3.68Å; H86-H88 PolarHBondContact ND1-N 2.89Å; H86-H88 AromaticContact ND1-ND1 3.07Å; H86-H88 PolarHBondContact ND1-ND1 3.38Å; H86-G114 CarbonylContact O-C 3.59Å; H86-G114 WeakPolarHBondContact O-CA 3.35Å; H86-G114 PolarHBondContact O-N 2.82Å; H86-H115 AromaticContact CE1-CG 3.92Å; H86-H115 AromaticContact CE1-ND1 3.41Å; H86-H115 PolarHBondContact CE1-ND1 2.93Å; H86-H115 AromaticContact ND1-ND1 3.8Å; H86-H115 WeakPolarHBondContact O-CB 3.22Å; H86-H115 PolarHBondContact O-N 2.78Å
87G98.3Very high97.7Very high4 Ų442.1 Ų42.14%0.04124%0.238CC..SBendtrans98.7-0.7177.300000114.5Q89 V90G87-Q89 PolarHBondContact O-N 2.97Å; G87-V90 WeakPolarHBondContact O-CB 3.49Å; G87-V90 PolarHBondContact O-N 3.03Å
88H98.3Very high97.8Very high50 Ų5043.6 Ų43.623%0.23125%0.249CC..THydrogen-bonded Turntrans-66.7-18.6169.967.5-99.7000111.8D62 H86 V90 H115D62-H88 HydrophobicContact CB-CB 4.28Å; H86-H88 AromaticContact CE1-ND1 3.97Å; H86-H88 AromaticContact CG-ND1 3.5Å; H86-H88 AromaticContact ND1-CG 3.68Å; H86-H88 PolarHBondContact ND1-N 2.89Å; H86-H88 AromaticContact ND1-ND1 3.07Å; H86-H88 PolarHBondContact ND1-ND1 3.38Å; H88-V90 VanDerWaalsContact C-N 3.26Å; H88-H115 WeakPolarHBondContact CB-ND1 3.48Å
89Q98Very high98Very high70 Ų7041.8 Ų41.833%0.32723%0.228SC..THydrogen-bonded Turntrans-74.8-13.3173.8-5388.4-14.700112.8E71 I85 G87E71-Q89 PolarHBondContact OE2-NE2 3.36Å; I85-Q89 HydrophobicContact CD1-CB 4.42Å; G87-Q89 PolarHBondContact O-N 2.97Å
90V98Very high98.1Very high5 Ų536.7 Ų36.73%0.0321%0.205CC..SBendtrans-94.2118.8-1791790000109.7G87 H88 P92 D95 L99 L102G87-V90 WeakPolarHBondContact O-CB 3.49Å; G87-V90 PolarHBondContact O-N 3.03Å; H88-V90 VanDerWaalsContact C-N 3.26Å; V90-P92 CarbonylContact C-O 3.24Å; V90-P92 CarbonylContact O-C 3.58Å; V90-D95 HydrophobicContact CG1-CB 4.35Å; V90-L99 HydrophobicContact CG1-CD2 4.46Å; V90-L99 HydrophobicContact CG1-CG 4.4Å; V90-L99 HydrophobicContact CG2-CD2 4.06Å; V90-L102 HydrophobicContact CG2-CD1 3.57Å
91I96.9Very high98.1Very high135 Ų13542 Ų4269%0.69223%0.233SC*.SBendtrans-130.5121.9-176.5-54.9176.6000109.1
92P97.2Very high98.1Very high85 Ų8539.6 Ų39.655%0.55222%0.223SC*.SBendcis-67.7160.1-3.526.3-28.5000112.2V90 G94 D95V90-P92 CarbonylContact C-O 3.24Å; V90-P92 CarbonylContact O-C 3.58Å; P92-G94 PolarHBondContact O-N 3.32Å; P92-D95 HydrophobicContact CG-CB 3.93Å; P92-D95 WeakPolarHBondContact O-CB 3.47Å; P92-D95 PolarHBondContact O-N 2.95Å
93W97.4Very high98.1Very high92 Ų9240.1 Ų40.135%0.34823%0.226SC..THydrogen-bonded Turntrans-60.6128.3-173.6-56.7-8.1000111D95 H115 T116 A141 L142W93-D95 PolarHBondContact O-N 3.45Å; W93-H115 AromaticContact CD1-CD2 3.76Å; W93-H115 AromaticContact CD1-NE2 3.57Å; W93-H115 AromaticContact CD2-CD2 3.58Å; W93-H115 AromaticContact CD2-NE2 3.32Å; W93-H115 VanDerWaalsContact CD2-NE2 3.32Å; W93-H115 AromaticContact CE2-CD2 3.75Å; W93-H115 AromaticContact CE2-CE1 3.97Å; W93-H115 AromaticContact CE2-NE2 2.99Å; W93-H115 AromaticContact CE3-NE2 3.9Å; W93-H115 AromaticContact CG-CD2 3.64Å; W93-H115 AromaticContact CG-NE2 3.72Å; W93-H115 AromaticContact CH2-NE2 3.88Å; W93-H115 AromaticContact CZ2-CE1 3.86Å; W93-H115 AromaticContact CZ2-NE2 3.32Å; W93-H115 VanDerWaalsContact CZ2-NE2 3.32Å; W93-H115 WeakPolarHBondContact CZ2-NE2 3.11Å; W93-H115 AromaticContact NE1-CD2 3.85Å; W93-H115 AromaticContact NE1-NE2 3.17Å; W93-H115 PolarHBondContact NE1-NE2 2.86Å; W93-H115 VanDerWaalsContact NE1-NE2 3.17Å; W93-T116 HydrophobicContact CB-CG2 4.13Å; W93-A141 HydrophobicContact CH2-CB 4.09Å; W93-L142 HydrophobicContact CD2-CD1 4.23Å; W93-L142 HydrophobicContact CE3-CD1 3.63Å; W93-L142 HydrophobicContact CE3-CG 4.34Å; W93-L142 HydrophobicContact CH2-CD1 4.11Å; W93-L142 HydrophobicContact CH2-CG 4.02Å; W93-L142 HydrophobicContact CZ3-CB 4.46Å; W93-L142 HydrophobicContact CZ3-CD1 3.56Å; W93-L142 HydrophobicContact CZ3-CG 3.75Å
94G96.9Very high98.1Very high28 Ų2846.1 Ų46.129%0.28925%0.249SC..THydrogen-bonded Turntrans71.913.5-178.700000114.7P92 M96P92-G94 PolarHBondContact O-N 3.32Å; G94-M96 PolarHBondContact O-N 2.75Å
95D98Very high98.1Very high52 Ų5252.4 Ų52.428%0.27828%0.278SS..  trans-57.1124.1177.1177.862.3000112.1V90 P92 W93 A97 S98 L99V90-D95 HydrophobicContact CG1-CB 4.35Å; P92-D95 HydrophobicContact CG-CB 3.93Å; P92-D95 WeakPolarHBondContact O-CB 3.47Å; P92-D95 PolarHBondContact O-N 2.95Å; W93-D95 PolarHBondContact O-N 3.45Å; D95-A97 PolarHBondContact O-N 2.82Å; D95-A97 PolarHBondContact OD2-N 3.28Å; D95-S98 PolarHBondContact O-N 2.78Å; D95-S98 VanDerWaalsContact OD2-CB 3.29Å; D95-S98 WeakPolarHBondContact OD2-CB 3.45Å; D95-S98 PolarHBondContact OD2-N 3.35Å; D95-S98 PolarHBondContact OD2-OG 2.88Å; D95-L99 WeakPolarHBondContact O-CB 3.21Å; D95-L99 WeakPolarHBondContact O-CG 3.3Å; D95-L99 PolarHBondContact O-N 3.32Å
96M98.1Very high98.1Very high47 Ų4753.1 Ų53.123%0.23228%0.281CS..Hα-helixtrans-65.6-40.6-172.9-168.464.2-118.100112.3G94 S98 L99 A100 F122 H124 Y129G94-M96 PolarHBondContact O-N 2.75Å; M96-S98 VanDerWaalsContact C-N 3.33Å; M96-S98 PolarHBondContact O-N 3.3Å; M96-L99 HydrophobicContact CE-CB 4.23Å; M96-L99 PolarHBondContact O-N 3.27Å; M96-A100 HydrophobicContact CE-CB 4.19Å; M96-A100 VanDerWaalsContact O-CB 3.23Å; M96-A100 WeakPolarHBondContact O-CB 3.21Å; M96-A100 PolarHBondContact O-N 2.83Å; M96-F122 HydrophobicContact CE-CE2 3.89Å; M96-F122 HydrophobicContact CE-CZ 4.23Å; M96-F122 HydrophobicContact SD-CE2 3.3Å; M96-F122 WeakPolarHBondContact SD-CE2 3.43Å; M96-F122 HydrophobicContact SD-CZ 3.46Å; M96-F122 WeakPolarHBondContact SD-CZ 3.38Å; M96-H124 HydrophobicContact CE-CB 3.93Å; M96-H124 HydrophobicContact SD-CB 4.32Å; M96-Y129 HydrophobicContact CE-CD1 3.77Å; M96-Y129 HydrophobicContact CE-CD2 3.9Å; M96-Y129 HydrophobicContact CE-CE1 3.52Å; M96-Y129 HydrophobicContact CE-CE2 3.69Å; M96-Y129 HydrophobicContact CE-CG 3.95Å; M96-Y129 VanDerWaalsContact CE-CZ 3.47Å
97A98Very high98Very high72 Ų7257.9 Ų57.960%0.59531%0.306SS*.Hα-helixtrans-64.7-41.6-18000000111.1D95 A100 L101D95-A97 PolarHBondContact O-N 2.82Å; D95-A97 PolarHBondContact OD2-N 3.28Å; A97-A100 PolarHBondContact O-N 3.11Å; A97-L101 PolarHBondContact O-N 3.04Å
98S98.3Very high98Very high37 Ų3757.7 Ų57.726%0.25930%0.304SS..Hα-helixtrans-66.4-44176.9-58.60000112.3D95 M96 A100 L101 L102D95-S98 PolarHBondContact O-N 2.78Å; D95-S98 VanDerWaalsContact OD2-CB 3.29Å; D95-S98 WeakPolarHBondContact OD2-CB 3.45Å; D95-S98 PolarHBondContact OD2-N 3.35Å; D95-S98 PolarHBondContact OD2-OG 2.88Å; M96-S98 VanDerWaalsContact C-N 3.33Å; M96-S98 PolarHBondContact O-N 3.3Å; S98-A100 VanDerWaalsContact C-N 3.35Å; S98-L101 WeakPolarHBondContact O-CB 3.29Å; S98-L101 PolarHBondContact O-N 2.76Å; S98-L102 PolarHBondContact O-N 3.45Å; S98-L102 VanDerWaalsContact O-N 3.08Å
99L98.5Very high98Very high7 Ų755.9 Ų55.94%0.03730%0.296CS..Hα-helixtrans-62.4-42.2174-71.8173.7000111.5V90 D95 M96 L101 L102 Q103 L111 Y129V90-L99 HydrophobicContact CG1-CD2 4.46Å; V90-L99 HydrophobicContact CG1-CG 4.4Å; V90-L99 HydrophobicContact CG2-CD2 4.06Å; D95-L99 WeakPolarHBondContact O-CB 3.21Å; D95-L99 WeakPolarHBondContact O-CG 3.3Å; D95-L99 PolarHBondContact O-N 3.32Å; M96-L99 HydrophobicContact CE-CB 4.23Å; M96-L99 PolarHBondContact O-N 3.27Å; L99-L101 VanDerWaalsContact C-N 3.3Å; L99-L101 PolarHBondContact O-N 2.75Å; L99-L102 PolarHBondContact O-N 3.48Å; L99-Q103 PolarHBondContact O-N 3.07Å; L99-L111 HydrophobicContact CB-CD2 4.23Å; L99-L111 HydrophobicContact CD2-CD2 4.06Å; L99-L111 VanDerWaalsContact O-CD2 3.23Å; L99-L111 WeakPolarHBondContact O-CD2 3.49Å; L99-Y129 HydrophobicContact CB-CD1 4.18Å; L99-Y129 HydrophobicContact CB-CE1 4.07Å
100A98.4Very high98.1Very high3 Ų352.5 Ų52.53%0.02528%0.281CS..Hα-helixtrans-68.6-28.9178.200000112.5M96 A97 S98 R104 Y129M96-A100 HydrophobicContact CE-CB 4.19Å; M96-A100 VanDerWaalsContact O-CB 3.23Å; M96-A100 WeakPolarHBondContact O-CB 3.21Å; M96-A100 PolarHBondContact O-N 2.83Å; A97-A100 PolarHBondContact O-N 3.11Å; S98-A100 VanDerWaalsContact C-N 3.35Å; A100-R104 VanDerWaalsContact C-NH1 3.28Å; A100-R104 VanDerWaalsContact O-CG 3.32Å; A100-R104 WeakPolarHBondContact O-CG 3.27Å; A100-R104 PolarHBondContact O-N 3.44Å; A100-R104 PolarHBondContact O-NH1 3.41Å; A100-Y129 WeakPolarHBondContact CA-OH 3.45Å
101L98.2Very high98.1Very high112 Ų11252.3 Ų52.359%0.58628%0.279SS*.Hα-helixtrans-66.4-45.9170.5-176.767.1000111.1A97 S98 L99 R104 Q105A97-L101 PolarHBondContact O-N 3.04Å; S98-L101 WeakPolarHBondContact O-CB 3.29Å; S98-L101 PolarHBondContact O-N 2.76Å; L99-L101 VanDerWaalsContact C-N 3.3Å; L99-L101 PolarHBondContact O-N 2.75Å; L101-R104 PolarHBondContact O-N 3Å; L101-Q105 WeakPolarHBondContact O-CB 3.47Å; L101-Q105 PolarHBondContact O-N 3.4Å
102L98.4Very high98.2Very high27 Ų2745.9 Ų45.914%0.14125%0.246CC..Hα-helixtrans-62.4-42.6176-70.9175.3000112I85 V90 S98 L99 R104 Q105 F106 L111I85-L102 HydrophobicContact CD1-CD1 4Å; V90-L102 HydrophobicContact CG2-CD1 3.57Å; S98-L102 PolarHBondContact O-N 3.45Å; S98-L102 VanDerWaalsContact O-N 3.08Å; L99-L102 PolarHBondContact O-N 3.48Å; L102-R104 VanDerWaalsContact C-N 3.3Å; L102-R104 PolarHBondContact O-N 3.06Å; L102-Q105 PolarHBondContact O-N 3.18Å; L102-F106 HydrophobicContact CB-CZ 4.48Å; L102-F106 HydrophobicContact CD2-CE1 4.23Å; L102-F106 HydrophobicContact CD2-CZ 4.06Å; L102-F106 WeakPolarHBondContact O-CB 3.18Å; L102-F106 VanDerWaalsContact O-CG 3.29Å; L102-F106 WeakPolarHBondContact O-CG 3.34Å; L102-F106 PolarHBondContact O-N 2.91Å; L102-L111 HydrophobicContact CB-CD2 4.14Å
103Q98.4Very high98.3Very high12 Ų1242.3 Ų42.36%0.05622%0.224CC..Hα-helixtrans-56.1-46.2175.8177-76.9-48.200111L99 D107 V108 L111 K127 Y129L99-Q103 PolarHBondContact O-N 3.07Å; Q103-D107 PolarHBondContact O-N 3.33Å; Q103-V108 HydrophobicContact CB-CG2 4.49Å; Q103-V108 HydrophobicContact CG-CG2 4.09Å; Q103-V108 PolarHBondContact NE2-O 3.03Å; Q103-V108 PolarHBondContact O-N 3.39Å; Q103-L111 HydrophobicContact CB-CB 4.33Å; Q103-L111 HydrophobicContact CB-CD2 4.17Å; Q103-K127 HydrophobicContact CG-CB 4.13Å; Q103-K127 HydrophobicContact CG-CG 4.2Å; Q103-Y129 HydrophobicContact CB-CE1 3.92Å; Q103-Y129 WeakPolarHBondContact CB-OH 3.21Å; Q103-Y129 HydrophobicContact CG-CE1 4.35Å
104R98.4Very high98.3Very high126 Ų12638 Ų3848%0.47521%0.208SC..Hα-helixtrans-66.3-43.9176.4-70.7174.6-177.790.5-7.9112.2A100 L101 L102 F106 D107 E125A100-R104 VanDerWaalsContact C-NH1 3.28Å; A100-R104 VanDerWaalsContact O-CG 3.32Å; A100-R104 WeakPolarHBondContact O-CG 3.27Å; A100-R104 PolarHBondContact O-N 3.44Å; A100-R104 PolarHBondContact O-NH1 3.41Å; L101-R104 PolarHBondContact O-N 3Å; L102-R104 VanDerWaalsContact C-N 3.3Å; L102-R104 PolarHBondContact O-N 3.06Å; R104-F106 VanDerWaalsContact C-N 3.28Å; R104-F106 PolarHBondContact O-N 3.05Å; R104-D107 PolarHBondContact O-N 3.44Å; R104-D107 VanDerWaalsContact O-N 3.13Å; R104-E125 IonicContact CZ-OE2 3.9Å; R104-E125 IonicContact NH1-OE2 3.18Å; R104-E125 PolarHBondContact NH1-OE2 2.81Å; R104-E125 IonicContact NH2-OE1 3.84Å; R104-E125 PolarHBondContact NH2-OE1 2.93Å; R104-E125 IonicContact NH2-OE2 3Å; R104-E125 PolarHBondContact NH2-OE2 3.28Å
105Q98.3Very high98.4Very high131 Ų13137.3 Ų37.361%0.61220%0.197SC*.Hα-helixtrans-61.9-37.8179.4-177.1179.1-23.300111.9L101 L102 D107L101-Q105 WeakPolarHBondContact O-CB 3.47Å; L101-Q105 PolarHBondContact O-N 3.4Å; L102-Q105 PolarHBondContact O-N 3.18Å; Q105-D107 VanDerWaalsContact C-N 3.33Å
106F98.2Very high98.4Very high21 Ų2136 Ų369%0.09219%0.191CC..Hα-helixtrans-82-14.5177.9-62.3-5.5000112.9Q72 V74 I85 L102 R104 V108 L111Q72-F106 HydrophobicContact CB-CE2 4.26Å; Q72-F106 HydrophobicContact CB-CZ 3.9Å; Q72-F106 VanDerWaalsContact CD-CE1 3.42Å; Q72-F106 HydrophobicContact CG-CE1 4.4Å; Q72-F106 HydrophobicContact CG-CZ 4.16Å; V74-F106 HydrophobicContact CG2-CB 3.99Å; V74-F106 HydrophobicContact CG2-CD2 4.5Å; V74-F106 HydrophobicContact CG2-CG 4.3Å; I85-F106 HydrophobicContact CD1-CZ 4.45Å; L102-F106 HydrophobicContact CB-CZ 4.48Å; L102-F106 HydrophobicContact CD2-CE1 4.23Å; L102-F106 HydrophobicContact CD2-CZ 4.06Å; L102-F106 WeakPolarHBondContact O-CB 3.18Å; L102-F106 VanDerWaalsContact O-CG 3.29Å; L102-F106 WeakPolarHBondContact O-CG 3.34Å; L102-F106 PolarHBondContact O-N 2.91Å; R104-F106 VanDerWaalsContact C-N 3.28Å; R104-F106 PolarHBondContact O-N 3.05Å; F106-V108 HydrophobicContact CB-CB 4.46Å; F106-V108 HydrophobicContact CB-CG1 3.65Å; F106-V108 HydrophobicContact CB-CG2 4.09Å; F106-L111 HydrophobicContact CD2-CD1 3.9Å; F106-L111 HydrophobicContact CE2-CD1 4.01Å
107D98.2Very high98.4Very high99 Ų9934 Ų3453%0.52918%0.181SC..THydrogen-bonded Turntrans52.955.9-173.4179.549.9000111.6K81 Q103 R104 Q105K81-D107 WeakPolarHBondContact CD-O 3.26Å; K81-D107 IonicContact NZ-OD2 2.75Å; K81-D107 PolarHBondContact NZ-OD2 3.44Å; Q103-D107 PolarHBondContact O-N 3.33Å; R104-D107 PolarHBondContact O-N 3.44Å; R104-D107 VanDerWaalsContact O-N 3.13Å; Q105-D107 VanDerWaalsContact C-N 3.33Å
108V98.5Very high98.4Very high0 Ų036.3 Ų36.30%018%0.178CC..  trans-115.6152.5-174.8-63.10000112.6V74 K81 Q103 F106 I110 L111V74-V108 HydrophobicContact CG1-CG1 3.82Å; V74-V108 HydrophobicContact CG2-CG1 3.97Å; K81-V108 HydrophobicContact CB-CB 4.35Å; K81-V108 HydrophobicContact CB-CG1 4.24Å; Q103-V108 HydrophobicContact CB-CG2 4.49Å; Q103-V108 HydrophobicContact CG-CG2 4.09Å; Q103-V108 PolarHBondContact NE2-O 3.03Å; Q103-V108 PolarHBondContact O-N 3.39Å; F106-V108 HydrophobicContact CB-CB 4.46Å; F106-V108 HydrophobicContact CB-CG1 3.65Å; F106-V108 HydrophobicContact CB-CG2 4.09Å; V108-I110 WeakPolarHBondContact CG2-O 3.27Å; V108-L111 HydrophobicContact CG2-CB 4.35Å; V108-L111 HydrophobicContact CG2-CD1 4.48Å
109D98.4Very high98.4Very high12 Ų1235.9 Ų35.96%0.06417%0.171CC..SBendtrans-83.9-34.5174.5-57-60.1000111.8F80 K81 K127 F128 K181F80-D109 HydrophobicContact CD1-CB 3.94Å; K81-D109 PolarHBondContact N-OD2 3.47Å; K81-D109 PolarHBondContact O-N 3.24Å; D109-K127 IonicContact OD1-NZ 3.18Å; D109-K127 PolarHBondContact OD1-NZ 3.39Å; D109-F128 PolarHBondContact O-N 3.29Å; D109-K181 VanDerWaalsContact CG-NZ 3.25Å; D109-K181 VanDerWaalsContact OD1-CE 3.23Å; D109-K181 WeakPolarHBondContact OD1-CE 3.06Å; D109-K181 IonicContact OD1-NZ 3.24Å; D109-K181 PolarHBondContact OD1-NZ 2.86Å; D109-K181 IonicContact OD2-NZ 2.72Å; D109-K181 PolarHBondContact OD2-NZ 2.99Å
110I98.6Very high98.4Very high0 Ų038.1 Ų38.10%018%0.182CC..EExtended strand (participates in β ladder)trans-123.7128.1179-50.8-178.8000108.2F80 K81 I82 G83 V108 I112 F128 I130 M153 V160 Y179F80-I110 HydrophobicContact CB-CD1 4.21Å; F80-I110 HydrophobicContact CD1-CD1 3.84Å; F80-I110 HydrophobicContact CD1-CG1 4.01Å; F80-I110 HydrophobicContact CE1-CD1 4.43Å; F80-I110 HydrophobicContact CG-CD1 4.1Å; K81-I110 PolarHBondContact O-N 3.03Å; K81-I110 VanDerWaalsContact O-N 3.14Å; I82-I110 CarbonylContact C-O 3.56Å; I82-I110 WeakPolarHBondContact CA-O 3.44Å; I82-I110 HydrophobicContact CG1-CB 4.26Å; I82-I110 HydrophobicContact CG1-CD1 4.36Å; I82-I110 HydrophobicContact CG2-CB 4.22Å; I82-I110 HydrophobicContact CG2-CG2 4.34Å; G83-I110 PolarHBondContact N-O 2.8Å; V108-I110 WeakPolarHBondContact CG2-O 3.27Å; I110-I112 HydrophobicContact CG2-CG1 4.2Å; I110-F128 CarbonylContact C-O 3.58Å; I110-F128 WeakPolarHBondContact CA-O 3.41Å; I110-F128 HydrophobicContact CG1-CB 4.19Å; I110-F128 HydrophobicContact CG2-CB 4.45Å; I110-F128 HydrophobicContact CG2-CD1 4.21Å; I110-I130 HydrophobicContact CG2-CD1 3.86Å; I110-I130 HydrophobicContact CG2-CG1 4.22Å; I110-M153 HydrophobicContact CD1-SD 4.5Å; I110-V160 HydrophobicContact CD1-CG1 4.13Å; I110-Y179 HydrophobicContact CG1-CE1 4.48Å
111L98.8Very high98.4Very high0 Ų038.9 Ų38.90%019%0.187CC..EExtended strand (participates in β ladder)trans-108.5125.1169.8-177.366.7000109.7I85 L99 L102 Q103 F106 V108 F128 Y129 I130I85-L111 HydrophobicContact CG2-CD1 4.48Å; L99-L111 HydrophobicContact CB-CD2 4.23Å; L99-L111 HydrophobicContact CD2-CD2 4.06Å; L99-L111 VanDerWaalsContact O-CD2 3.23Å; L99-L111 WeakPolarHBondContact O-CD2 3.49Å; L102-L111 HydrophobicContact CB-CD2 4.14Å; Q103-L111 HydrophobicContact CB-CB 4.33Å; Q103-L111 HydrophobicContact CB-CD2 4.17Å; F106-L111 HydrophobicContact CD2-CD1 3.9Å; F106-L111 HydrophobicContact CE2-CD1 4.01Å; V108-L111 HydrophobicContact CG2-CB 4.35Å; V108-L111 HydrophobicContact CG2-CD1 4.48Å; L111-F128 PolarHBondContact N-O 2.87Å; L111-Y129 HydrophobicContact CB-CD1 3.96Å; L111-Y129 HydrophobicContact CB-CE1 4.13Å; L111-Y129 HydrophobicContact CD2-CD1 4.05Å; L111-Y129 HydrophobicContact CD2-CE1 3.93Å; L111-Y129 HydrophobicContact CG-CD1 4.5Å; L111-Y129 WeakPolarHBondContact O-CA 3.45Å; L111-I130 PolarHBondContact O-N 2.94Å
112I98.9Very high98.3Very high0 Ų036.6 Ų36.60%017%0.173CC..EExtended strand (participates in β ladder)trans-108.6123.8176.1-56.6177.1000109.2V5 L35 T37 I82 G83 L84 I85 I110 I130 M153V5-I112 HydrophobicContact CG1-CD1 3.91Å; V5-I112 HydrophobicContact CG1-CG2 3.49Å; V5-I112 VanDerWaalsContact CG1-CG2 3.49Å; V5-I112 HydrophobicContact CG2-CD1 3.88Å; L35-I112 HydrophobicContact CB-CD1 4.32Å; L35-I112 HydrophobicContact CD1-CD1 3.63Å; T37-I112 HydrophobicContact CG2-CG2 3.75Å; I82-I112 HydrophobicContact CG2-CD1 3.49Å; I82-I112 VanDerWaalsContact CG2-CD1 3.49Å; I82-I112 HydrophobicContact CG2-CG1 3.88Å; G83-I112 PolarHBondContact O-N 3.3Å; L84-I112 WeakPolarHBondContact CA-O 3.5Å; L84-I112 HydrophobicContact CD1-CB 3.82Å; L84-I112 HydrophobicContact CD1-CG2 3.63Å; I85-I112 PolarHBondContact N-O 2.8Å; I110-I112 HydrophobicContact CG2-CG1 4.2Å; I112-I130 VanDerWaalsContact CA-O 3.26Å; I112-I130 WeakPolarHBondContact CA-O 3.46Å; I112-I130 HydrophobicContact CG1-CB 4.3Å; I112-M153 HydrophobicContact CD1-CE 4.12Å
113S98.9Very high98.2Very high11 Ų1140.3 Ų40.38%0.07719%0.19CC..  trans-130.8161.6173.2620000111.7I85 I130 N131 P132I85-S113 WeakPolarHBondContact O-CA 3.35Å; S113-I130 PolarHBondContact N-O 2.83Å; S113-N131 WeakPolarHBondContact O-CA 3.3Å; S113-N131 WeakPolarHBondContact O-CB 3.46Å; S113-N131 PolarHBondContact O-ND2 3.44Å; S113-N131 PolarHBondContact O-OD1 3.01Å; S113-P132 VanDerWaalsContact O-CD 3.27Å; S113-P132 WeakPolarHBondContact O-CD 3.32Å
114G98.6Very high98.2Very high2 Ų242.9 Ų42.92%0.02120%0.202CC..  trans-122.8-130.9176.100000111H86 T116 N131H86-G114 CarbonylContact O-C 3.59Å; H86-G114 WeakPolarHBondContact O-CA 3.35Å; H86-G114 PolarHBondContact O-N 2.82Å; G114-T116 PolarHBondContact O-N 3Å; G114-N131 PolarHBondContact O-ND2 3.26Å
115H98.5Very high98.1Very high12 Ų1241.9 Ų41.96%0.05620%0.202CC..SBendtrans70.4-42.7169.9-171.362000116.4D8 H86 H88 W93 H117D8-H115 PolarHBondContact OD2-N 3.4Å; H86-H115 AromaticContact CE1-CG 3.92Å; H86-H115 AromaticContact CE1-ND1 3.41Å; H86-H115 PolarHBondContact CE1-ND1 2.93Å; H86-H115 AromaticContact ND1-ND1 3.8Å; H86-H115 WeakPolarHBondContact O-CB 3.22Å; H86-H115 PolarHBondContact O-N 2.78Å; H88-H115 WeakPolarHBondContact CB-ND1 3.48Å; W93-H115 AromaticContact CD1-CD2 3.76Å; W93-H115 AromaticContact CD1-NE2 3.57Å; W93-H115 AromaticContact CD2-CD2 3.58Å; W93-H115 AromaticContact CD2-NE2 3.32Å; W93-H115 VanDerWaalsContact CD2-NE2 3.32Å; W93-H115 AromaticContact CE2-CD2 3.75Å; W93-H115 AromaticContact CE2-CE1 3.97Å; W93-H115 AromaticContact CE2-NE2 2.99Å; W93-H115 AromaticContact CE3-NE2 3.9Å; W93-H115 AromaticContact CG-CD2 3.64Å; W93-H115 AromaticContact CG-NE2 3.72Å; W93-H115 AromaticContact CH2-NE2 3.88Å; W93-H115 AromaticContact CZ2-CE1 3.86Å; W93-H115 AromaticContact CZ2-NE2 3.32Å; W93-H115 VanDerWaalsContact CZ2-NE2 3.32Å; W93-H115 WeakPolarHBondContact CZ2-NE2 3.11Å; W93-H115 AromaticContact NE1-CD2 3.85Å; W93-H115 AromaticContact NE1-NE2 3.17Å; W93-H115 PolarHBondContact NE1-NE2 2.86Å; W93-H115 VanDerWaalsContact NE1-NE2 3.17Å; H115-H117 PolarHBondContact O-CD2 2.92Å; H115-H117 PolarHBondContact O-N 3.1Å
116T98.2Very high98Very high25 Ų2540.1 Ų40.115%0.15320%0.197CC..SBendtrans-70.5-16.6178.568.40000112.6W93 G114 K118 N131 N140W93-T116 HydrophobicContact CB-CG2 4.13Å; G114-T116 PolarHBondContact O-N 3Å; T116-K118 PolarHBondContact O-N 3.05Å; T116-K118 PolarHBondContact OG1-N 3.27Å; T116-K118 VanDerWaalsContact OG1-N 3.16Å; T116-K118 PolarHBondContact OG1-O 2.86Å; T116-N131 PolarHBondContact OG1-ND2 3.35Å; T116-N140 PolarHBondContact O-ND2 3.35Å
117H98.5Very high98Very high4 Ų441.4 Ų41.42%0.01920%0.203CC..  trans56.312.3-170.1-62-157000114.2D8 H10 H115 A138 Y139 I146D8-H117 IonicContact OD1-CD2 3.76Å; D8-H117 IonicContact OD1-NE2 2.97Å; D8-H117 IonicContact OD2-CD2 2.78Å; H10-H117 AromaticContact CD2-CE1 3.62Å; H10-H117 AromaticContact CD2-NE2 3.87Å; H10-H117 AromaticContact NE2-CE1 3.6Å; H10-H117 AromaticContact NE2-NE2 3.46Å; H10-H117 PolarHBondContact NE2-NE2 3.15Å; H115-H117 PolarHBondContact O-CD2 2.92Å; H115-H117 PolarHBondContact O-N 3.1Å; H117-A138 PolarHBondContact CE1-O 2.96Å; H117-A138 PolarHBondContact ND1-O 2.95Å; H117-Y139 PolarHBondContact CE1-O 2.91Å; H117-I146 HydrophobicContact CB-CD1 3.91Å; H117-I146 HydrophobicContact CB-CG1 4.14Å; H117-I146 HydrophobicContact CB-CG2 3.95Å; H117-I146 WeakPolarHBondContact O-CG2 3.34Å
118K97.9Very high98Very high121 Ų12136.8 Ų36.853%0.52618%0.178SC..  trans-111120.5-179.2-177-171.3171.8-144.80108.7T116 E120 N131T116-K118 PolarHBondContact O-N 3.05Å; T116-K118 PolarHBondContact OG1-N 3.27Å; T116-K118 VanDerWaalsContact OG1-N 3.16Å; T116-K118 PolarHBondContact OG1-O 2.86Å; K118-E120 IonicContact NZ-OE1 2.66Å; K118-E120 PolarHBondContact NZ-OE1 3.5Å; K118-E120 PolarHBondContact O-N 2.89Å; K118-N131 VanDerWaalsContact O-CG 3.27Å; K118-N131 PolarHBondContact O-OD1 2.97Å
119F98.2Very high98Very high29 Ų2937 Ų3713%0.12718%0.179CC..  trans-59132173.1160.7-98.3000110.7A121 N131 V151 V164 I177F119-A121 HydrophobicContact CE2-CB 3.74Å; F119-A121 HydrophobicContact CZ-CB 3.58Å; F119-N131 VanDerWaalsContact CA-O 3.26Å; F119-N131 WeakPolarHBondContact CA-O 3.5Å; F119-N131 WeakPolarHBondContact CD2-O 3.43Å; F119-V151 HydrophobicContact CD2-CG2 3.89Å; F119-V151 HydrophobicContact CE2-CG2 3.78Å; F119-V164 HydrophobicContact CD1-CG1 3.71Å; F119-V164 HydrophobicContact CD2-CG1 3.48Å; F119-V164 VanDerWaalsContact CD2-CG1 3.48Å; F119-V164 HydrophobicContact CD2-CG2 4.3Å; F119-V164 HydrophobicContact CE1-CB 4.32Å; F119-V164 HydrophobicContact CE1-CG1 3.66Å; F119-V164 HydrophobicContact CE1-CG2 3.96Å; F119-V164 HydrophobicContact CE2-CB 4.04Å; F119-V164 HydrophobicContact CE2-CG1 3.45Å; F119-V164 VanDerWaalsContact CE2-CG1 3.45Å; F119-V164 HydrophobicContact CE2-CG2 3.39Å; F119-V164 HydrophobicContact CG-CG1 3.64Å; F119-V164 HydrophobicContact CZ-CB 3.95Å; F119-V164 HydrophobicContact CZ-CG1 3.56Å; F119-V164 HydrophobicContact CZ-CG2 3.19Å; F119-I177 HydrophobicContact CZ-CD1 4.04Å
120E97.9Very high98Very high54 Ų5436.6 Ų36.625%0.25218%0.176SC..EExtended strand (participates in β ladder)trans-143139.9170.2-63.2-166.6144.200109.4K118 F122 I130 N131K118-E120 IonicContact NZ-OE1 2.66Å; K118-E120 PolarHBondContact NZ-OE1 3.5Å; K118-E120 PolarHBondContact O-N 2.89Å; E120-F122 HydrophobicContact CB-CD1 4.16Å; E120-F122 HydrophobicContact CB-CE1 4.09Å; E120-I130 CarbonylContact O-C 3.57Å; E120-I130 WeakPolarHBondContact O-CA 3.47Å; E120-N131 HydrophobicContact CB-CB 4.25Å; E120-N131 PolarHBondContact N-O 3.28Å; E120-N131 PolarHBondContact O-N 2.9Å
121A97.7Very high98Very high18 Ų1836.8 Ų36.815%0.14918%0.178CC..EExtended strand (participates in β ladder)trans-147.3115.6166.900000109.4F119 F128 Y129 I130 I177F119-A121 HydrophobicContact CE2-CB 3.74Å; F119-A121 HydrophobicContact CZ-CB 3.58Å; A121-F128 HydrophobicContact CB-CZ 4.01Å; A121-Y129 VanDerWaalsContact CA-O 3.26Å; A121-Y129 WeakPolarHBondContact CA-O 3.44Å; A121-I130 HydrophobicContact CB-CG1 4.46Å; A121-I177 HydrophobicContact CB-CD1 3.72Å
122F97Very high98Very high65 Ų6536.8 Ų36.829%0.28518%0.178SC..EExtended strand (participates in β ladder)trans-153.5159.3-174.460.9-94.6000111.7M96 E120 H124 F128 Y129M96-F122 HydrophobicContact CE-CE2 3.89Å; M96-F122 HydrophobicContact CE-CZ 4.23Å; M96-F122 HydrophobicContact SD-CE2 3.3Å; M96-F122 WeakPolarHBondContact SD-CE2 3.43Å; M96-F122 HydrophobicContact SD-CZ 3.46Å; M96-F122 WeakPolarHBondContact SD-CZ 3.38Å; E120-F122 HydrophobicContact CB-CD1 4.16Å; E120-F122 HydrophobicContact CB-CE1 4.09Å; F122-H124 HydrophobicContact CD2-CB 4.23Å; F122-H124 HydrophobicContact CE2-CB 4.08Å; F122-F128 VanDerWaalsContact O-CD2 3.27Å; F122-F128 WeakPolarHBondContact O-CD2 3.3Å; F122-Y129 HydrophobicContact CD2-CD2 4.38Å; F122-Y129 AromaticContact CE2-CD2 3.88Å; F122-Y129 HydrophobicContact CE2-CD2 3.88Å; F122-Y129 AromaticContact CE2-CG 3.92Å; F122-Y129 HydrophobicContact CE2-CG 3.92Å; F122-Y129 HydrophobicContact CZ-CG 4.16Å; F122-Y129 PolarHBondContact N-O 2.65Å; F122-Y129 PolarHBondContact O-N 3.19Å
123E97.2Very high98Very high104 Ų10436.8 Ų36.849%0.48618%0.178SC..EExtended strand (participates in β ladder)trans-96.9133.6173.8-171.9177.316000110.2N126 K127 F128 Y179E123-N126 WeakPolarHBondContact OE1-CA 3.39Å; E123-K127 CarbonylContact C-O 3.56Å; E123-K127 WeakPolarHBondContact CA-O 3.4Å; E123-F128 HydrophobicContact CB-CD2 4.48Å; E123-Y179 HydrophobicContact CG-CD2 4.17Å; E123-Y179 HydrophobicContact CG-CE2 4.11Å
124H97.5Very high98Very high67 Ų6736.3 Ų36.331%0.3117%0.174SC..EExtended strand (participates in β ladder)trans-141.6127.4173.9-177.481.8000109.3M96 F122 N126 K127 Y129M96-H124 HydrophobicContact CE-CB 3.93Å; M96-H124 HydrophobicContact SD-CB 4.32Å; F122-H124 HydrophobicContact CD2-CB 4.23Å; F122-H124 HydrophobicContact CE2-CB 4.08Å; H124-N126 VanDerWaalsContact C-N 3.26Å; H124-N126 PolarHBondContact O-N 3.19Å; H124-K127 PolarHBondContact N-O 3.31Å; H124-K127 WeakPolarHBondContact O-CB 3.36Å; H124-K127 PolarHBondContact O-N 3.24Å; H124-Y129 HydrophobicContact CB-CD2 3.97Å; H124-Y129 HydrophobicContact CB-CE2 3.69Å
125E95.9Very high98Very high104 Ų10436.2 Ų36.249%0.48617%0.173SC..THydrogen-bonded Turntrans51.442.4-177-61.3178.8125.800113.3R104 K127R104-E125 IonicContact CZ-OE2 3.9Å; R104-E125 IonicContact NH1-OE2 3.18Å; R104-E125 PolarHBondContact NH1-OE2 2.81Å; R104-E125 IonicContact NH2-OE1 3.84Å; R104-E125 PolarHBondContact NH2-OE1 2.93Å; R104-E125 IonicContact NH2-OE2 3Å; R104-E125 PolarHBondContact NH2-OE2 3.28Å; E125-K127 PolarHBondContact O-N 3.46Å
126N96.4Very high97.9Very high95 Ų9536.3 Ų36.351%0.50818%0.175SC..THydrogen-bonded Turntrans61.817.3-177.1-51.1-18.5000114.6E123 H124 Y179E123-N126 WeakPolarHBondContact OE1-CA 3.39Å; H124-N126 VanDerWaalsContact C-N 3.26Å; H124-N126 PolarHBondContact O-N 3.19Å; N126-Y179 PolarHBondContact O-OH 3.3Å
127K98.1Very high97.9Very high47 Ų4736 Ų3620%0.20418%0.176CC..EExtended strand (participates in β ladder)trans-117.3151.5175.8-59.4-63.4-177.4-174.30109.9Q103 D109 E123 H124 E125 Y129Q103-K127 HydrophobicContact CG-CB 4.13Å; Q103-K127 HydrophobicContact CG-CG 4.2Å; D109-K127 IonicContact OD1-NZ 3.18Å; D109-K127 PolarHBondContact OD1-NZ 3.39Å; E123-K127 CarbonylContact C-O 3.56Å; E123-K127 WeakPolarHBondContact CA-O 3.4Å; H124-K127 PolarHBondContact N-O 3.31Å; H124-K127 WeakPolarHBondContact O-CB 3.36Å; H124-K127 PolarHBondContact O-N 3.24Å; E125-K127 PolarHBondContact O-N 3.46Å; K127-Y129 HydrophobicContact CB-CE2 3.91Å
128F98.3Very high97.9Very high3 Ų335.8 Ų35.81%0.01318%0.175CC..EExtended strand (participates in β ladder)trans-106.5132.8-173.7-160.6-127.7000111.1D109 I110 L111 A121 F122 E123 I130 V160 T162 I177 Y179D109-F128 PolarHBondContact O-N 3.29Å; I110-F128 CarbonylContact C-O 3.58Å; I110-F128 WeakPolarHBondContact CA-O 3.41Å; I110-F128 HydrophobicContact CG1-CB 4.19Å; I110-F128 HydrophobicContact CG2-CB 4.45Å; I110-F128 HydrophobicContact CG2-CD1 4.21Å; L111-F128 PolarHBondContact N-O 2.87Å; A121-F128 HydrophobicContact CB-CZ 4.01Å; F122-F128 VanDerWaalsContact O-CD2 3.27Å; F122-F128 WeakPolarHBondContact O-CD2 3.3Å; E123-F128 HydrophobicContact CB-CD2 4.48Å; F128-I130 HydrophobicContact CD1-CD1 3.72Å; F128-I130 HydrophobicContact CD1-CG1 3.7Å; F128-I130 HydrophobicContact CE1-CD1 3.52Å; F128-I130 HydrophobicContact CE1-CG1 3.54Å; F128-I130 HydrophobicContact CZ-CG1 4.34Å; F128-V160 HydrophobicContact CD1-CG1 4.32Å; F128-V160 HydrophobicContact CE1-CG1 4.47Å; F128-T162 WeakPolarHBondContact CE1-OG1 3.39Å; F128-I177 HydrophobicContact CE2-CG2 4.15Å; F128-I177 HydrophobicContact CZ-CG2 3.94Å; F128-Y179 HydrophobicContact CB-CD1 3.54Å; F128-Y179 HydrophobicContact CB-CD2 4.02Å; F128-Y179 HydrophobicContact CB-CE1 3.7Å; F128-Y179 HydrophobicContact CB-CE2 4.18Å; F128-Y179 HydrophobicContact CB-CG 3.71Å; F128-Y179 HydrophobicContact CD1-CD1 4.24Å; F128-Y179 HydrophobicContact CD1-CG 4.3Å; F128-Y179 HydrophobicContact CD2-CD1 4.46Å; F128-Y179 HydrophobicContact CD2-CD2 4.1Å; F128-Y179 AromaticContact CD2-CG 3.84Å; F128-Y179 HydrophobicContact CD2-CG 3.84Å; F128-Y179 AromaticContact CG-CD1 3.86Å; F128-Y179 HydrophobicContact CG-CD1 3.86Å; F128-Y179 HydrophobicContact CG-CD2 4.24Å; F128-Y179 AromaticContact CG-CG 3.71Å; F128-Y179 HydrophobicContact CG-CG 3.71Å
129Y98.7Very high97.9Very high5 Ų535.6 Ų35.62%0.0217%0.172CC..EExtended strand (participates in β ladder)trans-118.7131-178.5-63.8-97.9000108M96 L99 A100 Q103 L111 A121 F122 H124 K127M96-Y129 HydrophobicContact CE-CD1 3.77Å; M96-Y129 HydrophobicContact CE-CD2 3.9Å; M96-Y129 HydrophobicContact CE-CE1 3.52Å; M96-Y129 HydrophobicContact CE-CE2 3.69Å; M96-Y129 HydrophobicContact CE-CG 3.95Å; M96-Y129 VanDerWaalsContact CE-CZ 3.47Å; L99-Y129 HydrophobicContact CB-CD1 4.18Å; L99-Y129 HydrophobicContact CB-CE1 4.07Å; A100-Y129 WeakPolarHBondContact CA-OH 3.45Å; Q103-Y129 HydrophobicContact CB-CE1 3.92Å; Q103-Y129 WeakPolarHBondContact CB-OH 3.21Å; Q103-Y129 HydrophobicContact CG-CE1 4.35Å; L111-Y129 HydrophobicContact CB-CD1 3.96Å; L111-Y129 HydrophobicContact CB-CE1 4.13Å; L111-Y129 HydrophobicContact CD2-CD1 4.05Å; L111-Y129 HydrophobicContact CD2-CE1 3.93Å; L111-Y129 HydrophobicContact CG-CD1 4.5Å; L111-Y129 WeakPolarHBondContact O-CA 3.45Å; A121-Y129 VanDerWaalsContact CA-O 3.26Å; A121-Y129 WeakPolarHBondContact CA-O 3.44Å; F122-Y129 HydrophobicContact CD2-CD2 4.38Å; F122-Y129 AromaticContact CE2-CD2 3.88Å; F122-Y129 HydrophobicContact CE2-CD2 3.88Å; F122-Y129 AromaticContact CE2-CG 3.92Å; F122-Y129 HydrophobicContact CE2-CG 3.92Å; F122-Y129 HydrophobicContact CZ-CG 4.16Å; F122-Y129 PolarHBondContact N-O 2.65Å; F122-Y129 PolarHBondContact O-N 3.19Å; H124-Y129 HydrophobicContact CB-CD2 3.97Å; H124-Y129 HydrophobicContact CB-CE2 3.69Å; K127-Y129 HydrophobicContact CB-CE2 3.91Å
130I98.8Very high97.8Very high2 Ų234.9 Ų34.91%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-130.8131.9-179.4-56.6175.2000108.9I110 L111 I112 S113 E120 A121 F128 V151 M153 T162I110-I130 HydrophobicContact CG2-CD1 3.86Å; I110-I130 HydrophobicContact CG2-CG1 4.22Å; L111-I130 PolarHBondContact O-N 2.94Å; I112-I130 VanDerWaalsContact CA-O 3.26Å; I112-I130 WeakPolarHBondContact CA-O 3.46Å; I112-I130 HydrophobicContact CG1-CB 4.3Å; S113-I130 PolarHBondContact N-O 2.83Å; E120-I130 CarbonylContact O-C 3.57Å; E120-I130 WeakPolarHBondContact O-CA 3.47Å; A121-I130 HydrophobicContact CB-CG1 4.46Å; F128-I130 HydrophobicContact CD1-CD1 3.72Å; F128-I130 HydrophobicContact CD1-CG1 3.7Å; F128-I130 HydrophobicContact CE1-CD1 3.52Å; F128-I130 HydrophobicContact CE1-CG1 3.54Å; F128-I130 HydrophobicContact CZ-CG1 4.34Å; I130-V151 HydrophobicContact CG2-CG1 4.29Å; I130-V151 HydrophobicContact CG2-CG2 4.22Å; I130-M153 HydrophobicContact CD1-CG 4.22Å; I130-M153 HydrophobicContact CD1-SD 3.38Å; I130-M153 WeakPolarHBondContact CD1-SD 3.15Å; I130-T162 HydrophobicContact CD1-CG2 4.45Å
131N98.8Very high97.8Very high5 Ų536.5 Ų36.53%0.02719%0.192CC..EExtended strand (participates in β ladder)trans-119.9118.9160.2-170.9-39.1000108.3S113 G114 T116 K118 F119 E120 G133S113-N131 WeakPolarHBondContact O-CA 3.3Å; S113-N131 WeakPolarHBondContact O-CB 3.46Å; S113-N131 PolarHBondContact O-ND2 3.44Å; S113-N131 PolarHBondContact O-OD1 3.01Å; G114-N131 PolarHBondContact O-ND2 3.26Å; T116-N131 PolarHBondContact OG1-ND2 3.35Å; K118-N131 VanDerWaalsContact O-CG 3.27Å; K118-N131 PolarHBondContact O-OD1 2.97Å; F119-N131 VanDerWaalsContact CA-O 3.26Å; F119-N131 WeakPolarHBondContact CA-O 3.5Å; F119-N131 WeakPolarHBondContact CD2-O 3.43Å; E120-N131 HydrophobicContact CB-CB 4.25Å; E120-N131 PolarHBondContact N-O 3.28Å; E120-N131 PolarHBondContact O-N 2.9Å; N131-G133 PolarHBondContact O-N 3.19Å; N131-G133 PolarHBondContact OD1-N 3.27Å
132P98.7Very high97.7Very high0 Ų042.1 Ų42.10%022%0.219CC..  trans-72.4-11.3-178.132.2-36.3000113.2V5 T37 S113 S149 V151V5-P132 HydrophobicContact CB-CB 4.48Å; V5-P132 HydrophobicContact CG1-CB 4.02Å; V5-P132 HydrophobicContact CG1-CG 3.99Å; V5-P132 WeakPolarHBondContact O-CB 3.26Å; T37-P132 HydrophobicContact CG2-CG 4.06Å; S113-P132 VanDerWaalsContact O-CD 3.27Å; S113-P132 WeakPolarHBondContact O-CD 3.32Å; P132-S149 CarbonylContact O-C 3.57Å; P132-S149 VanDerWaalsContact O-C 3.24Å; P132-S149 WeakPolarHBondContact O-CB 3.16Å; P132-S149 PolarHBondContact O-OG 3.38Å; P132-V151 HydrophobicContact CB-CB 4.43Å; P132-V151 HydrophobicContact CB-CG2 4.34Å
133G98.5Very high97.6Very high0 Ų043.1 Ų43.10%023%0.225CC..  trans73-168-166.800000112.6N131N131-G133 PolarHBondContact O-N 3.19Å; N131-G133 PolarHBondContact OD1-N 3.27Å
134S98.7Very high97.5Very high0 Ų043 Ų430%023%0.231CC..  trans-88122.6172.9170.60000110.6D8 T136 G137 A138 P148 S149D8-S134 WeakPolarHBondContact O-CB 3.23Å; D8-S134 PolarHBondContact O-OG 2.87Å; S134-T136 PolarHBondContact O-N 3.16Å; S134-T136 PolarHBondContact OG-N 2.78Å; S134-T136 PolarHBondContact OG-OG1 3.23Å; S134-G137 PolarHBondContact O-N 3.46Å; S134-G137 PolarHBondContact OG-N 3.44Å; S134-G137 VanDerWaalsContact OG-N 3.14Å; S134-A138 PolarHBondContact OG-N 3.03Å; S134-P148 CarbonylContact O-C 3.55Å; S134-P148 VanDerWaalsContact O-CA 3.28Å; S134-P148 WeakPolarHBondContact O-CA 3.23Å; S134-S149 CarbonylContact C-O 3.44Å; S134-S149 PolarHBondContact O-N 2.93Å
135A98.4Very high97.5Very high1 Ų146.3 Ų46.31%0.00825%0.251CS..THydrogen-bonded Turntrans-67.6-19.4-179.700000113.9L6 G7 L9 L18 P19 S149L6-A135 HydrophobicContact CB-CB 4.18Å; G7-A135 PolarHBondContact O-N 3.24Å; G7-A135 VanDerWaalsContact O-N 3.1Å; L9-A135 HydrophobicContact CD1-CB 3.87Å; L18-A135 HydrophobicContact CD2-CB 3.56Å; P19-A135 VanDerWaalsContact CD-O 3.27Å; P19-A135 WeakPolarHBondContact CD-O 3.41Å; A135-S149 WeakPolarHBondContact CA-O 3.28Å; A135-S149 PolarHBondContact N-O 3.38Å
136T98Very high97.5Very high14 Ų1442.5 Ų42.59%0.08623%0.234CC..THydrogen-bonded Turntrans-102.2-12.6178.850.40000113.1D8 L9 I11 C15 L18 S134 A138D8-T136 PolarHBondContact O-OG1 3.17Å; L9-T136 HydrophobicContact CB-CG2 4.24Å; L9-T136 HydrophobicContact CG-CG2 4.08Å; L9-T136 WeakPolarHBondContact O-CG2 3.47Å; L9-T136 PolarHBondContact O-OG1 3.46Å; I11-T136 HydrophobicContact CD1-CG2 3.91Å; I11-T136 HydrophobicContact CG1-CG2 4.09Å; C15-T136 HydrophobicContact CB-CG2 4.05Å; L18-T136 HydrophobicContact CG-CG2 4.46Å; S134-T136 PolarHBondContact O-N 3.16Å; S134-T136 PolarHBondContact OG-N 2.78Å; S134-T136 PolarHBondContact OG-OG1 3.23Å; T136-A138 VanDerWaalsContact C-N 3.31Å; T136-A138 PolarHBondContact OG1-N 3.13Å
137G97.7Very high97.6Very high17 Ų1741.6 Ų41.618%0.17523%0.228CC..  trans70.329.2-168.400000112.6S134S134-G137 PolarHBondContact O-N 3.46Å; S134-G137 PolarHBondContact OG-N 3.44Å; S134-G137 VanDerWaalsContact OG-N 3.14Å
138A98Very high97.6Very high1 Ų140.3 Ų40.31%0.00822%0.224CC..  trans-58.5141.1176.200000110.2H10 R14 C15 H117 S134 T136 I146H10-A138 HydrophobicContact CB-CB 4.01Å; R14-A138 HydrophobicContact CB-CB 4.07Å; C15-A138 VanDerWaalsContact SG-CA 3.6Å; H117-A138 PolarHBondContact CE1-O 2.96Å; H117-A138 PolarHBondContact ND1-O 2.95Å; S134-A138 PolarHBondContact OG-N 3.03Å; T136-A138 VanDerWaalsContact C-N 3.31Å; T136-A138 PolarHBondContact OG1-N 3.13Å; A138-I146 VanDerWaalsContact O-CG1 3.32Å; A138-I146 WeakPolarHBondContact O-CG1 3.46Å
139Y97.8Very high97.7Very high117 Ų11740.2 Ų40.246%0.45922%0.224SC..  trans-64.1158.117170.8-90.8000110.6R14 H117R14-Y139 HydrophobicContact CB-CD1 4.1Å; R14-Y139 HydrophobicContact CB-CE1 3.76Å; R14-Y139 WeakPolarHBondContact CD-O 3.3Å; R14-Y139 HydrophobicContact CG-CD1 4.1Å; R14-Y139 HydrophobicContact CG-CE1 3.45Å; R14-Y139 VanDerWaalsContact CG-CE1 3.45Å; R14-Y139 PolarHBondContact NH1-O 3.25Å; H117-Y139 PolarHBondContact CE1-O 2.91Å
140N97.2Very high97.7Very high13 Ų1340.1 Ų40.17%0.0722%0.224CC..  trans-121.1-176166.468.842.1000110.3T116 L142 E143T116-N140 PolarHBondContact O-ND2 3.35Å; N140-L142 PolarHBondContact O-N 3.08Å; N140-L142 WeakPolarHBondContact OD1-CA 3.27Å; N140-L142 PolarHBondContact OD1-N 3.3Å; N140-E143 PolarHBondContact N-O 3.44Å; N140-E143 PolarHBondContact OD1-N 2.88Å
141A96.3Very high97.7Very high89 Ų8940 Ų4074%0.73622%0.224SC*.SBendtrans-68.2-15-176.200000114.4W93W93-A141 HydrophobicContact CH2-CB 4.09Å
142L95.6Very high97.6Very high135 Ų13541 Ų4171%0.70723%0.229SC*.SBendtrans-112.4-25.9-175.2-57.5-180000113.2W93 N140W93-L142 HydrophobicContact CD2-CD1 4.23Å; W93-L142 HydrophobicContact CE3-CD1 3.63Å; W93-L142 HydrophobicContact CE3-CG 4.34Å; W93-L142 HydrophobicContact CH2-CD1 4.11Å; W93-L142 HydrophobicContact CH2-CG 4.02Å; W93-L142 HydrophobicContact CZ3-CB 4.46Å; W93-L142 HydrophobicContact CZ3-CD1 3.56Å; W93-L142 HydrophobicContact CZ3-CG 3.75Å; N140-L142 PolarHBondContact O-N 3.08Å; N140-L142 WeakPolarHBondContact OD1-CA 3.27Å; N140-L142 PolarHBondContact OD1-N 3.3Å
143E95.6Very high97.6Very high87 Ų8741 Ų4141%0.40723%0.229SC..  trans-139.5134.1-170.7-176.561.1-11300111.1N140 N145 I146N140-E143 PolarHBondContact N-O 3.44Å; N140-E143 PolarHBondContact OD1-N 2.88Å; E143-N145 PolarHBondContact OE1-N 2.75Å; E143-N145 VanDerWaalsContact OE1-N 3.11Å; E143-I146 HydrophobicContact CB-CD1 3.82Å; E143-I146 HydrophobicContact CG-CD1 3.42Å; E143-I146 VanDerWaalsContact CG-CD1 3.42Å; E143-I146 HydrophobicContact CG-CG1 4.28Å
144T95.7Very high97.6Very high101 Ų10142.5 Ų42.562%0.6224%0.237SC*.SBendtrans-104-26.9-179.554.40000112.7I146T144-I146 PolarHBondContact O-N 3.49Å
145N95.8Very high97.5Very high136 Ų13642.7 Ų42.773%0.72724%0.237SC*.  trans-98.476-177.4-64.1-57.5000110.7E143E143-N145 PolarHBondContact OE1-N 2.75Å; E143-N145 VanDerWaalsContact OE1-N 3.11Å
146I97.8Very high97.4Very high25 Ų2548.5 Ų48.513%0.12826%0.264CS..PPolyproline II helixtrans-94131.7-179.8-59.2-62.2000110.7H117 A138 E143 T144 P148H117-I146 HydrophobicContact CB-CD1 3.91Å; H117-I146 HydrophobicContact CB-CG1 4.14Å; H117-I146 HydrophobicContact CB-CG2 3.95Å; H117-I146 WeakPolarHBondContact O-CG2 3.34Å; A138-I146 VanDerWaalsContact O-CG1 3.32Å; A138-I146 WeakPolarHBondContact O-CG1 3.46Å; E143-I146 HydrophobicContact CB-CD1 3.82Å; E143-I146 HydrophobicContact CG-CD1 3.42Å; E143-I146 VanDerWaalsContact CG-CD1 3.42Å; E143-I146 HydrophobicContact CG-CG1 4.28Å; T144-I146 PolarHBondContact O-N 3.49Å; I146-P148 WeakPolarHBondContact O-CD 3.39Å
147I98.1Very high97.2Very high76 Ų7651.1 Ų51.139%0.3929%0.287SS..PPolyproline II helixtrans-80.5118.3173-64.5172.2000108.4S149 Q166 I168I147-S149 PolarHBondContact O-N 3.22Å; I147-S149 PolarHBondContact O-OG 3.23Å; I147-Q166 HydrophobicContact CG2-CB 3.92Å; I147-I168 HydrophobicContact CG2-CG1 4.35Å
148P98.5Very high97.1Very high19 Ų1951.8 Ų51.812%0.12329%0.289CS..PPolyproline II helixtrans-56131.1174.4-21.230000110.6P19 F22 S134 I146 Q166 L167P19-P148 HydrophobicContact CG-CB 3.87Å; P19-P148 HydrophobicContact CG-CG 4.18Å; F22-P148 HydrophobicContact CE2-CB 3.72Å; F22-P148 HydrophobicContact CZ-CB 4.2Å; F22-P148 WeakPolarHBondContact CZ-O 3.16Å; S134-P148 CarbonylContact O-C 3.55Å; S134-P148 VanDerWaalsContact O-CA 3.28Å; S134-P148 WeakPolarHBondContact O-CA 3.23Å; I146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-Q166 WeakPolarHBondContact O-CA 3.34Å; P148-L167 HydrophobicContact CB-CB 4.06Å; P148-L167 HydrophobicContact CG-CB 4.18Å; P148-L167 HydrophobicContact CG-CD2 4.27Å; P148-L167 PolarHBondContact O-N 3.44Å
149S98.7Very high97.1Very high1 Ų153.3 Ų53.31%0.00730%0.299CS..EExtended strand (participates in β ladder)trans-151.2150.2-177.444.30000114.2P132 S134 A135 I147 Y165P132-S149 CarbonylContact O-C 3.57Å; P132-S149 VanDerWaalsContact O-C 3.24Å; P132-S149 WeakPolarHBondContact O-CB 3.16Å; P132-S149 PolarHBondContact O-OG 3.38Å; S134-S149 CarbonylContact C-O 3.44Å; S134-S149 PolarHBondContact O-N 2.93Å; A135-S149 WeakPolarHBondContact CA-O 3.28Å; A135-S149 PolarHBondContact N-O 3.38Å; I147-S149 PolarHBondContact O-N 3.22Å; I147-S149 PolarHBondContact O-OG 3.23Å; S149-Y165 WeakPolarHBondContact CA-O 3.45Å; S149-Y165 WeakPolarHBondContact CB-O 3.42Å
150F98.6Very high97.1Very high4 Ų447.8 Ų47.82%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-149.2166.716971.9-89.7000110L4 L6 F22 L26 Y165L4-F150 HydrophobicContact CD1-CD2 3.56Å; L4-F150 HydrophobicContact CD1-CE2 4.03Å; L4-F150 HydrophobicContact CD1-CG 4.44Å; L6-F150 HydrophobicContact CB-CB 4.09Å; F22-F150 HydrophobicContact CB-CD1 4.47Å; F22-F150 HydrophobicContact CB-CE1 4.02Å; F22-F150 HydrophobicContact CD1-CD1 4.25Å; F22-F150 AromaticContact CD1-CE1 3.69Å; F22-F150 HydrophobicContact CD1-CE1 3.69Å; F22-F150 AromaticContact CD2-CD1 3.68Å; F22-F150 HydrophobicContact CD2-CD1 3.68Å; F22-F150 AromaticContact CD2-CE1 3.9Å; F22-F150 HydrophobicContact CD2-CE1 3.9Å; F22-F150 HydrophobicContact CE1-CD1 4.35Å; F22-F150 HydrophobicContact CE1-CE1 4.01Å; F22-F150 AromaticContact CE2-CD1 3.79Å; F22-F150 HydrophobicContact CE2-CD1 3.79Å; F22-F150 HydrophobicContact CE2-CE1 4.21Å; F22-F150 AromaticContact CG-CD1 3.91Å; F22-F150 HydrophobicContact CG-CD1 3.91Å; F22-F150 AromaticContact CG-CE1 3.62Å; F22-F150 HydrophobicContact CG-CE1 3.62Å; F22-F150 HydrophobicContact CZ-CD1 4.11Å; F22-F150 HydrophobicContact CZ-CE1 4.25Å; L26-F150 HydrophobicContact CD2-CD2 4.33Å; L26-F150 HydrophobicContact CD2-CE2 3.8Å; L26-F150 HydrophobicContact CD2-CZ 4.02Å; L26-F150 HydrophobicContact CG-CZ 4.34Å; F150-Y165 HydrophobicContact CD2-CD2 4.08Å; F150-Y165 VanDerWaalsContact CE1-CB 3.44Å; F150-Y165 HydrophobicContact CE1-CD2 4.34Å; F150-Y165 AromaticContact CE1-CG 3.89Å; F150-Y165 HydrophobicContact CE1-CG 3.89Å; F150-Y165 AromaticContact CE2-CD2 3.4Å; F150-Y165 HydrophobicContact CE2-CD2 3.4Å; F150-Y165 AromaticContact CE2-CE2 4Å; F150-Y165 HydrophobicContact CE2-CE2 4Å; F150-Y165 AromaticContact CE2-CG 3.79Å; F150-Y165 HydrophobicContact CE2-CG 3.79Å; F150-Y165 HydrophobicContact CZ-CD1 4.02Å; F150-Y165 AromaticContact CZ-CD2 3.56Å; F150-Y165 HydrophobicContact CZ-CD2 3.56Å; F150-Y165 HydrophobicContact CZ-CE2 4.26Å; F150-Y165 AromaticContact CZ-CG 3.42Å; F150-Y165 HydrophobicContact CZ-CG 3.42Å; F150-Y165 VanDerWaalsContact CZ-CG 3.42Å; F150-Y165 PolarHBondContact N-O 2.83Å; F150-Y165 PolarHBondContact O-N 3.14Å
151V98.6Very high97.1Very high0 Ų047.9 Ų47.90%028%0.278CS..EExtended strand (participates in β ladder)trans-122140.3-176.6165.10000110.7V5 F119 I130 P132 M153 T162 Y163 V164V5-V151 HydrophobicContact CB-CB 4.09Å; V5-V151 HydrophobicContact CB-CG1 4.29Å; V5-V151 HydrophobicContact CG2-CG1 4.41Å; V5-V151 PolarHBondContact N-O 3.46Å; V5-V151 PolarHBondContact O-N 3.21Å; F119-V151 HydrophobicContact CD2-CG2 3.89Å; F119-V151 HydrophobicContact CE2-CG2 3.78Å; I130-V151 HydrophobicContact CG2-CG1 4.29Å; I130-V151 HydrophobicContact CG2-CG2 4.22Å; P132-V151 HydrophobicContact CB-CB 4.43Å; P132-V151 HydrophobicContact CB-CG2 4.34Å; V151-M153 HydrophobicContact CG1-CG 3.98Å; V151-T162 HydrophobicContact CG1-CG2 3.44Å; V151-T162 VanDerWaalsContact CG1-CG2 3.44Å; V151-Y163 CarbonylContact C-O 3.5Å; V151-Y163 WeakPolarHBondContact CA-O 3.38Å; V151-V164 HydrophobicContact CG2-CG1 4.46Å; V151-V164 HydrophobicContact CG2-CG2 4.4Å
152L98.1Very high97.2Very high26 Ų2643.7 Ų43.714%0.13624%0.243CC..EExtended strand (participates in β ladder)trans-120.4116.7168.8-169.674000108.7L2 V3 L4 I31 Y163 Y165L2-L152 HydrophobicContact CB-CD1 4.48Å; L2-L152 HydrophobicContact CD2-CD2 4.16Å; L2-L152 HydrophobicContact CD2-CG 4.31Å; V3-L152 WeakPolarHBondContact O-CA 3.47Å; L4-L152 HydrophobicContact CB-CD1 4.23Å; I31-L152 HydrophobicContact CG1-CD1 4.34Å; L152-Y163 PolarHBondContact N-O 3.28Å; L152-Y163 PolarHBondContact O-N 3.34Å; L152-Y165 HydrophobicContact CB-CE2 4.01Å
153M98.3Very high97.3Very high0 Ų040.7 Ų40.70%022%0.223CC..EExtended strand (participates in β ladder)trans-96.2127.3176-60.7-174.2-6100109.9L2 V3 V5 L35 I82 I110 I112 I130 V151 I155 V160 V161L2-M153 CarbonylContact C-O 3.51Å; L2-M153 WeakPolarHBondContact CA-O 3.4Å; V3-M153 HydrophobicContact CB-CB 4.28Å; V3-M153 HydrophobicContact CB-CE 3.83Å; V3-M153 HydrophobicContact CG1-CE 3.69Å; V3-M153 HydrophobicContact CG2-CE 4.48Å; V3-M153 PolarHBondContact N-O 2.72Å; V3-M153 PolarHBondContact O-N 2.87Å; V5-M153 HydrophobicContact CG2-CE 3.59Å; V5-M153 HydrophobicContact CG2-CG 4.31Å; V5-M153 HydrophobicContact CG2-SD 4.26Å; L35-M153 HydrophobicContact CD1-CE 4.32Å; I82-M153 HydrophobicContact CD1-CE 4.03Å; I110-M153 HydrophobicContact CD1-SD 4.5Å; I112-M153 HydrophobicContact CD1-CE 4.12Å; I130-M153 HydrophobicContact CD1-CG 4.22Å; I130-M153 HydrophobicContact CD1-SD 3.38Å; I130-M153 WeakPolarHBondContact CD1-SD 3.15Å; V151-M153 HydrophobicContact CG1-CG 3.98Å; M153-I155 HydrophobicContact CB-CG1 4.41Å; M153-I155 HydrophobicContact CE-CD1 4.43Å; M153-V160 HydrophobicContact CB-CG2 3.77Å; M153-V160 HydrophobicContact CG-CG2 4.12Å; M153-V160 HydrophobicContact SD-CG2 4.16Å; M153-V161 CarbonylContact C-O 3.51Å; M153-V161 WeakPolarHBondContact CA-O 3.28Å
154D97.6Very high97.5Very high31 Ų3136.5 Ų36.517%0.16620%0.204CC..EExtended strand (participates in β ladder)trans-100.2107.6163.1-172.617.9000110.1M1 L2 Q156 V160 V161 Y163M1-D154 PolarHBondContact N-OD1 3.3Å; M1-D154 WeakPolarHBondContact O-CA 3.42Å; L2-D154 HydrophobicContact CD2-CB 3.77Å; D154-Q156 PolarHBondContact OD2-NE2 3.46Å; D154-V160 WeakPolarHBondContact O-CA 3.46Å; D154-V161 HydrophobicContact CB-CB 4.49Å; D154-V161 PolarHBondContact N-O 3.22Å; D154-V161 PolarHBondContact O-N 3.06Å; D154-Y163 HydrophobicContact CB-CE2 4.39Å
155I97.3Very high97.6Very high3 Ų333.7 Ų33.72%0.01518%0.182CC..EExtended strand (participates in β ladder)trans-96.2118.1-179.1-64.7172.5000109.5M1 V3 V77 F80 I82 M153 V160M1-I155 HydrophobicContact CB-CB 4.49Å; M1-I155 HydrophobicContact CE-CG2 4.19Å; M1-I155 PolarHBondContact N-O 2.84Å; M1-I155 PolarHBondContact O-N 2.75Å; V3-I155 HydrophobicContact CG2-CD1 3.94Å; V77-I155 HydrophobicContact CB-CD1 3.91Å; V77-I155 HydrophobicContact CG1-CD1 3.74Å; F80-I155 HydrophobicContact CD2-CG2 3.6Å; F80-I155 HydrophobicContact CE2-CG2 3.89Å; I82-I155 HydrophobicContact CD1-CD1 3.92Å; M153-I155 HydrophobicContact CB-CG1 4.41Å; M153-I155 HydrophobicContact CE-CD1 4.43Å; I155-V160 HydrophobicContact CG1-CB 4.18Å; I155-V160 HydrophobicContact CG1-CG2 3.68Å
156Q95.7Very high97.7Very high123 Ų12328.6 Ų28.658%0.57515%0.154SC*.EExtended strand (participates in β ladder)trans-134.9121176.6-59.3-171.913.900110.2D154 S158 T159D154-Q156 PolarHBondContact OD2-NE2 3.46Å; Q156-S158 PolarHBondContact O-N 2.72Å; Q156-S158 VanDerWaalsContact O-N 3.12Å; Q156-T159 PolarHBondContact N-O 2.93Å; Q156-T159 PolarHBondContact O-N 2.98Å; Q156-T159 VanDerWaalsContact O-O 3.06Å
157A94.3Very high97.7Very high69 Ų6928.6 Ų28.657%0.5715%0.154SC*.THydrogen-bonded Turntrans50.2-115.3-174.900000112Q79Q79-A157 WeakPolarHBondContact CB-O 3.15Å; Q79-A157 WeakPolarHBondContact CG-O 3.31Å
158S95.8Very high97.6Very high31 Ų3128.9 Ų28.922%0.21716%0.156CC..THydrogen-bonded Turntrans-102.614.9179.770.30000113.2F80 Q156 K180 K181F80-S158 VanDerWaalsContact CZ-C 3.41Å; F80-S158 WeakPolarHBondContact CZ-O 3.32Å; Q156-S158 PolarHBondContact O-N 2.72Å; Q156-S158 VanDerWaalsContact O-N 3.12Å; S158-K180 WeakPolarHBondContact O-CA 3.4Å; S158-K181 PolarHBondContact O-N 3.01Å
159T97.6Very high97.2Very high34 Ų3431.3 Ų31.321%0.20918%0.184CC..EExtended strand (participates in β ladder)trans-120.5139.5-179.8-58.60000110.1Q156 V161 E178 Y179Q156-T159 PolarHBondContact N-O 2.93Å; Q156-T159 PolarHBondContact O-N 2.98Å; Q156-T159 VanDerWaalsContact O-O 3.06Å; T159-V161 HydrophobicContact CG2-CG2 4.47Å; T159-E178 HydrophobicContact CG2-CG 3.8Å; T159-Y179 WeakPolarHBondContact CA-O 2.86Å
160V97.8Very high96.8Very high0 Ų037.4 Ų37.40%022%0.216CC..EExtended strand (participates in β ladder)trans-118.9126.9167.765.30000109.5F80 I110 F128 M153 D154 I155 Y179F80-V160 HydrophobicContact CE2-CB 4.39Å; F80-V160 HydrophobicContact CZ-CB 4.24Å; F80-V160 HydrophobicContact CZ-CG1 4.38Å; I110-V160 HydrophobicContact CD1-CG1 4.13Å; F128-V160 HydrophobicContact CD1-CG1 4.32Å; F128-V160 HydrophobicContact CE1-CG1 4.47Å; M153-V160 HydrophobicContact CB-CG2 3.77Å; M153-V160 HydrophobicContact CG-CG2 4.12Å; M153-V160 HydrophobicContact SD-CG2 4.16Å; D154-V160 WeakPolarHBondContact O-CA 3.46Å; I155-V160 HydrophobicContact CG1-CB 4.18Å; I155-V160 HydrophobicContact CG1-CG2 3.68Å; V160-Y179 HydrophobicContact CG1-CD1 3.62Å; V160-Y179 HydrophobicContact CG1-CG 4.14Å; V160-Y179 PolarHBondContact N-O 2.58Å; V160-Y179 PolarHBondContact O-N 3.11Å
161V98.1Very high96.7Very high16 Ų1642.6 Ų42.610%0.09724%0.244CC..EExtended strand (participates in β ladder)trans-102.2116.8170.1-177.20000107.7M153 D154 T159 Y163 R176 E178M153-V161 CarbonylContact C-O 3.51Å; M153-V161 WeakPolarHBondContact CA-O 3.28Å; D154-V161 HydrophobicContact CB-CB 4.49Å; D154-V161 PolarHBondContact N-O 3.22Å; D154-V161 PolarHBondContact O-N 3.06Å; T159-V161 HydrophobicContact CG2-CG2 4.47Å; V161-Y163 HydrophobicContact CB-CE2 4.22Å; V161-Y163 HydrophobicContact CG1-CD2 4.23Å; V161-Y163 HydrophobicContact CG1-CE1 4.33Å; V161-Y163 HydrophobicContact CG1-CE2 3.58Å; V161-R176 HydrophobicContact CG1-CG 3.69Å; V161-R176 VanDerWaalsContact CG1-NE 3.3Å; V161-E178 HydrophobicContact CG2-CG 4.45Å
162T98.2Very high96.6Very high0 Ų044.8 Ų44.80%026%0.258CS..EExtended strand (participates in β ladder)trans-101.6113.2-177.1-57.70000109F128 I130 V151 V164 R176 I177F128-T162 WeakPolarHBondContact CE1-OG1 3.39Å; I130-T162 HydrophobicContact CD1-CG2 4.45Å; V151-T162 HydrophobicContact CG1-CG2 3.44Å; V151-T162 VanDerWaalsContact CG1-CG2 3.44Å; T162-V164 HydrophobicContact CG2-CG2 4.38Å; T162-R176 WeakPolarHBondContact O-CA 3.29Å; T162-I177 PolarHBondContact N-O 3.36Å; T162-I177 PolarHBondContact O-N 2.66Å
163Y98.2Very high96.6Very high72 Ų7248.2 Ų48.228%0.28227%0.271SS..EExtended strand (participates in β ladder)trans-95.6124.2172.2-62-85.7000109.5V151 L152 D154 V161 V174 E175 R176V151-Y163 CarbonylContact C-O 3.5Å; V151-Y163 WeakPolarHBondContact CA-O 3.38Å; L152-Y163 PolarHBondContact N-O 3.28Å; L152-Y163 PolarHBondContact O-N 3.34Å; D154-Y163 HydrophobicContact CB-CE2 4.39Å; V161-Y163 HydrophobicContact CB-CE2 4.22Å; V161-Y163 HydrophobicContact CG1-CD2 4.23Å; V161-Y163 HydrophobicContact CG1-CE1 4.33Å; V161-Y163 HydrophobicContact CG1-CE2 3.58Å; Y163-V174 HydrophobicContact CD1-CG1 4.37Å; Y163-E175 CarbonylContact C-O 3.59Å; Y163-E175 WeakPolarHBondContact CA-O 3.32Å; Y163-R176 HydrophobicContact CD1-CB 4.42Å; Y163-R176 HydrophobicContact CD1-CG 4.4Å; Y163-R176 HydrophobicContact CE1-CB 4.42Å; Y163-R176 HydrophobicContact CE1-CG 4.07Å
164V97.8Very high96.5Very high0 Ų051.7 Ų51.70%029%0.292CS..EExtended strand (participates in β ladder)trans-107.8123-177.8-172.80000107.7F119 V151 T162 Q166 V174 E175 I177F119-V164 HydrophobicContact CD1-CG1 3.71Å; F119-V164 HydrophobicContact CD2-CG1 3.48Å; F119-V164 VanDerWaalsContact CD2-CG1 3.48Å; F119-V164 HydrophobicContact CD2-CG2 4.3Å; F119-V164 HydrophobicContact CE1-CB 4.32Å; F119-V164 HydrophobicContact CE1-CG1 3.66Å; F119-V164 HydrophobicContact CE1-CG2 3.96Å; F119-V164 HydrophobicContact CE2-CB 4.04Å; F119-V164 HydrophobicContact CE2-CG1 3.45Å; F119-V164 VanDerWaalsContact CE2-CG1 3.45Å; F119-V164 HydrophobicContact CE2-CG2 3.39Å; F119-V164 HydrophobicContact CG-CG1 3.64Å; F119-V164 HydrophobicContact CZ-CB 3.95Å; F119-V164 HydrophobicContact CZ-CG1 3.56Å; F119-V164 HydrophobicContact CZ-CG2 3.19Å; V151-V164 HydrophobicContact CG2-CG1 4.46Å; V151-V164 HydrophobicContact CG2-CG2 4.4Å; T162-V164 HydrophobicContact CG2-CG2 4.38Å; V164-Q166 HydrophobicContact CG1-CG 4.03Å; V164-V174 CarbonylContact O-C 3.46Å; V164-V174 VanDerWaalsContact O-CA 3.23Å; V164-V174 WeakPolarHBondContact O-CA 3.39Å; V164-E175 HydrophobicContact CB-CB 4.26Å; V164-E175 PolarHBondContact N-O 2.69Å; V164-E175 PolarHBondContact O-N 2.82Å; V164-I177 HydrophobicContact CG2-CD1 4.16Å
165Y98.4Very high96.5Very high42 Ų4253.4 Ų53.417%0.16530%0.3CS..EExtended strand (participates in β ladder)trans-106.9121.1177.1-66.6-96.5000108.3L25 S149 F150 L152 V172 V174L25-Y165 HydrophobicContact CD1-CD1 3.78Å; L25-Y165 HydrophobicContact CD1-CE1 4.03Å; S149-Y165 WeakPolarHBondContact CA-O 3.45Å; S149-Y165 WeakPolarHBondContact CB-O 3.42Å; F150-Y165 HydrophobicContact CD2-CD2 4.08Å; F150-Y165 VanDerWaalsContact CE1-CB 3.44Å; F150-Y165 HydrophobicContact CE1-CD2 4.34Å; F150-Y165 AromaticContact CE1-CG 3.89Å; F150-Y165 HydrophobicContact CE1-CG 3.89Å; F150-Y165 AromaticContact CE2-CD2 3.4Å; F150-Y165 HydrophobicContact CE2-CD2 3.4Å; F150-Y165 AromaticContact CE2-CE2 4Å; F150-Y165 HydrophobicContact CE2-CE2 4Å; F150-Y165 AromaticContact CE2-CG 3.79Å; F150-Y165 HydrophobicContact CE2-CG 3.79Å; F150-Y165 HydrophobicContact CZ-CD1 4.02Å; F150-Y165 AromaticContact CZ-CD2 3.56Å; F150-Y165 HydrophobicContact CZ-CD2 3.56Å; F150-Y165 HydrophobicContact CZ-CE2 4.26Å; F150-Y165 AromaticContact CZ-CG 3.42Å; F150-Y165 HydrophobicContact CZ-CG 3.42Å; F150-Y165 VanDerWaalsContact CZ-CG 3.42Å; F150-Y165 PolarHBondContact N-O 2.83Å; F150-Y165 PolarHBondContact O-N 3.14Å; L152-Y165 HydrophobicContact CB-CE2 4.01Å; Y165-V172 HydrophobicContact CD1-CG1 3.9Å; Y165-V174 HydrophobicContact CD1-CG1 4.48Å; Y165-V174 HydrophobicContact CD1-CG2 3.6Å; Y165-V174 HydrophobicContact CE1-CG1 4.18Å; Y165-V174 HydrophobicContact CE1-CG2 3.56Å; Y165-V174 HydrophobicContact CG-CG2 4.48Å
166Q98.4Very high96.5Very high29 Ų2959.7 Ų59.714%0.13632%0.323CS..EExtended strand (participates in β ladder)trans-123.5139.9176.2-59.2-168.6-71.900109.9I147 P148 V164 I168 V172 K173I147-Q166 HydrophobicContact CG2-CB 3.92Å; P148-Q166 WeakPolarHBondContact O-CA 3.34Å; V164-Q166 HydrophobicContact CG1-CG 4.03Å; Q166-I168 HydrophobicContact CB-CG1 4.47Å; Q166-V172 CarbonylContact O-C 3.58Å; Q166-V172 WeakPolarHBondContact O-CA 3.4Å; Q166-K173 PolarHBondContact N-O 3.48Å; Q166-K173 PolarHBondContact O-N 3.05Å
167L97.9Very high96.6Very high24 Ų2456 Ų5613%0.12631%0.307CS..EExtended strand (participates in β ladder)trans-99.4102.1175.6-174.566.8000109.9P19 K21 F22 P148 D170 V172P19-L167 HydrophobicContact CB-CD2 3.52Å; P19-L167 HydrophobicContact CG-CD2 3.84Å; K21-L167 HydrophobicContact CB-CD1 4.48Å; K21-L167 HydrophobicContact CD-CD1 4.33Å; F22-L167 HydrophobicContact CE1-CB 3.89Å; F22-L167 HydrophobicContact CE2-CB 4.49Å; F22-L167 HydrophobicContact CZ-CB 3.72Å; P148-L167 HydrophobicContact CB-CB 4.06Å; P148-L167 HydrophobicContact CG-CB 4.18Å; P148-L167 HydrophobicContact CG-CD2 4.27Å; P148-L167 PolarHBondContact O-N 3.44Å; L167-D170 WeakPolarHBondContact CD1-O 3.46Å; L167-V172 HydrophobicContact CD1-CG2 4.01Å
168I95.7Very high96.7Very high83 Ų8357.8 Ų57.843%0.42630%0.303SS..EExtended strand (participates in β ladder)trans-104.3107.6-179.4-56.5177.7000108.3I147 Q166 D170 D171 K173I147-I168 HydrophobicContact CG2-CG1 4.35Å; Q166-I168 HydrophobicContact CB-CG1 4.47Å; I168-D170 PolarHBondContact O-N 3.22Å; I168-D171 PolarHBondContact N-O 2.97Å; I168-D171 PolarHBondContact O-N 2.96Å; I168-K173 HydrophobicContact CD1-CB 4.11Å; I168-K173 HydrophobicContact CD1-CD 3.73Å
169G91.1Very high96.8Very high70 Ų7056.4 Ų56.472%0.72229%0.293SS*.THydrogen-bonded Turntrans63.2-119.1-168.200000109.2
170D89.7Confident96.7Very high128 Ų12861.2 Ų61.268%0.68431%0.312SS*.THydrogen-bonded Turntrans-93.4-12.9171.6-94.5-41.4000113K21 L167 I168K21-D170 WeakPolarHBondContact CD-O 3.33Å; K21-D170 WeakPolarHBondContact CE-O 3.5Å; K21-D170 PolarHBondContact NZ-O 3.06Å; L167-D170 WeakPolarHBondContact CD1-O 3.46Å; I168-D170 PolarHBondContact O-N 3.22Å
171D95.9Very high96.4Very high113 Ų11364 Ų6460%0.60432%0.324SS*.EExtended strand (participates in β ladder)trans-96.1139.5-169.1-69-41.7000114.2K21 I168 K173K21-D171 IonicContact NZ-OD1 2.67Å; K21-D171 PolarHBondContact NZ-OD1 3.09Å; I168-D171 PolarHBondContact N-O 2.97Å; I168-D171 PolarHBondContact O-N 2.96Å; D171-K173 PolarHBondContact O-N 3.19Å
172V97.2Very high95.9Very high46 Ų4670.1 Ų70.128%0.27937%0.367SS..EExtended strand (participates in β ladder)trans-86.8110.6175.3-179.20000108.4K21 F22 L25 Y165 Q166 L167 V174K21-V172 HydrophobicContact CB-CG2 3.65Å; K21-V172 HydrophobicContact CD-CG2 3.92Å; K21-V172 HydrophobicContact CG-CG2 4.42Å; F22-V172 HydrophobicContact CD1-CG2 4.29Å; F22-V172 HydrophobicContact CE1-CG1 4.31Å; F22-V172 HydrophobicContact CE1-CG2 4.16Å; L25-V172 HydrophobicContact CD1-CG1 4.02Å; L25-V172 HydrophobicContact CD1-CG2 4.49Å; Y165-V172 HydrophobicContact CD1-CG1 3.9Å; Q166-V172 CarbonylContact O-C 3.58Å; Q166-V172 WeakPolarHBondContact O-CA 3.4Å; L167-V172 HydrophobicContact CD1-CG2 4.01Å; V172-V174 HydrophobicContact CG1-CG2 4.29Å
173K97.4Very high95.8Very high98 Ų9873.6 Ų73.643%0.42639%0.385SS..EExtended strand (participates in β ladder)trans-88.4139.3169.5-168.4-174.2-179.6-159.70109.1Q166 I168 D171 E175Q166-K173 PolarHBondContact N-O 3.48Å; Q166-K173 PolarHBondContact O-N 3.05Å; I168-K173 HydrophobicContact CD1-CB 4.11Å; I168-K173 HydrophobicContact CD1-CD 3.73Å; D171-K173 PolarHBondContact O-N 3.19Å; K173-E175 VanDerWaalsContact CE-OE1 3.29Å; K173-E175 WeakPolarHBondContact CE-OE1 3.39Å; K173-E175 IonicContact NZ-OE1 3.3Å; K173-E175 PolarHBondContact NZ-OE1 2.95Å
174V97.2Very high95.7Very high73 Ų7373.7 Ų73.744%0.44239%0.39SS..EExtended strand (participates in β ladder)trans-121.3127.8175.8-1710000110Y163 V164 Y165 V172Y163-V174 HydrophobicContact CD1-CG1 4.37Å; V164-V174 CarbonylContact O-C 3.46Å; V164-V174 VanDerWaalsContact O-CA 3.23Å; V164-V174 WeakPolarHBondContact O-CA 3.39Å; Y165-V174 HydrophobicContact CD1-CG1 4.48Å; Y165-V174 HydrophobicContact CD1-CG2 3.6Å; Y165-V174 HydrophobicContact CE1-CG1 4.18Å; Y165-V174 HydrophobicContact CE1-CG2 3.56Å; Y165-V174 HydrophobicContact CG-CG2 4.48Å; V172-V174 HydrophobicContact CG1-CG2 4.29Å
175E96.9Very high95.5Very high68 Ų6877.8 Ų77.832%0.31841%0.412SS..EExtended strand (participates in β ladder)trans-114.7149.1172.1-61-174.5178.800110.1Y163 V164 K173Y163-E175 CarbonylContact C-O 3.59Å; Y163-E175 WeakPolarHBondContact CA-O 3.32Å; V164-E175 HydrophobicContact CB-CB 4.26Å; V164-E175 PolarHBondContact N-O 2.69Å; V164-E175 PolarHBondContact O-N 2.82Å; K173-E175 VanDerWaalsContact CE-OE1 3.29Å; K173-E175 WeakPolarHBondContact CE-OE1 3.39Å; K173-E175 IonicContact NZ-OE1 3.3Å; K173-E175 PolarHBondContact NZ-OE1 2.95Å
176R97.5Very high95.4Very high135 Ų13579.9 Ų79.951%0.50943%0.427SS..EExtended strand (participates in β ladder)trans-122122.9-179.3-177.4-171.5179.1-82.6-0.5109.4V161 T162 Y163 E178V161-R176 HydrophobicContact CG1-CG 3.69Å; V161-R176 VanDerWaalsContact CG1-NE 3.3Å; T162-R176 WeakPolarHBondContact O-CA 3.29Å; Y163-R176 HydrophobicContact CD1-CB 4.42Å; Y163-R176 HydrophobicContact CD1-CG 4.4Å; Y163-R176 HydrophobicContact CE1-CB 4.42Å; Y163-R176 HydrophobicContact CE1-CG 4.07Å; R176-E178 IonicContact CZ-OE2 3.44Å; R176-E178 IonicContact NH1-OE2 3.34Å; R176-E178 PolarHBondContact NH1-OE2 2.84Å; R176-E178 IonicContact NH2-OE2 3.89Å; R176-E178 PolarHBondContact NH2-OE2 3.45Å
177I97.2Very high95.2Very high46 Ų4683.1 Ų83.124%0.23645%0.445CS..EExtended strand (participates in β ladder)trans-122.7140.4177.3-59.3163.5000107.9F119 A121 F128 T162 V164F119-I177 HydrophobicContact CZ-CD1 4.04Å; A121-I177 HydrophobicContact CB-CD1 3.72Å; F128-I177 HydrophobicContact CE2-CG2 4.15Å; F128-I177 HydrophobicContact CZ-CG2 3.94Å; T162-I177 PolarHBondContact N-O 3.36Å; T162-I177 PolarHBondContact O-N 2.66Å; V164-I177 HydrophobicContact CG2-CD1 4.16Å
178E96.9Very high95Very high106 Ų10687 Ų8750%0.49547%0.466SS..EExtended strand (participates in β ladder)trans-120133.4-179.9-170.8171.713300109.7T159 V161 R176T159-E178 HydrophobicContact CG2-CG 3.8Å; V161-E178 HydrophobicContact CG2-CG 4.45Å; R176-E178 IonicContact CZ-OE2 3.44Å; R176-E178 IonicContact NH1-OE2 3.34Å; R176-E178 PolarHBondContact NH1-OE2 2.84Å; R176-E178 IonicContact NH2-OE2 3.89Å; R176-E178 PolarHBondContact NH2-OE2 3.45Å
179Y97.3Very high95Very high2 Ų287.3 Ų87.31%0.00847%0.469CS..EExtended strand (participates in β ladder)trans-127.4138.4172.4166-108.9000109.2F80 I110 E123 N126 F128 T159 V160F80-Y179 HydrophobicContact CD1-CE1 4.25Å; F80-Y179 AromaticContact CE1-CD1 3.91Å; F80-Y179 HydrophobicContact CE1-CD1 3.91Å; F80-Y179 AromaticContact CE1-CE1 3.63Å; F80-Y179 HydrophobicContact CE1-CE1 3.63Å; I110-Y179 HydrophobicContact CG1-CE1 4.48Å; E123-Y179 HydrophobicContact CG-CD2 4.17Å; E123-Y179 HydrophobicContact CG-CE2 4.11Å; N126-Y179 PolarHBondContact O-OH 3.3Å; F128-Y179 HydrophobicContact CB-CD1 3.54Å; F128-Y179 HydrophobicContact CB-CD2 4.02Å; F128-Y179 HydrophobicContact CB-CE1 3.7Å; F128-Y179 HydrophobicContact CB-CE2 4.18Å; F128-Y179 HydrophobicContact CB-CG 3.71Å; F128-Y179 HydrophobicContact CD1-CD1 4.24Å; F128-Y179 HydrophobicContact CD1-CG 4.3Å; F128-Y179 HydrophobicContact CD2-CD1 4.46Å; F128-Y179 HydrophobicContact CD2-CD2 4.1Å; F128-Y179 AromaticContact CD2-CG 3.84Å; F128-Y179 HydrophobicContact CD2-CG 3.84Å; F128-Y179 AromaticContact CG-CD1 3.86Å; F128-Y179 HydrophobicContact CG-CD1 3.86Å; F128-Y179 HydrophobicContact CG-CD2 4.24Å; F128-Y179 AromaticContact CG-CG 3.71Å; F128-Y179 HydrophobicContact CG-CG 3.71Å; T159-Y179 WeakPolarHBondContact CA-O 2.86Å; V160-Y179 HydrophobicContact CG1-CD1 3.62Å; V160-Y179 HydrophobicContact CG1-CG 4.14Å; V160-Y179 PolarHBondContact N-O 2.58Å; V160-Y179 PolarHBondContact O-N 3.11Å
180K96.8Very high95.3Very high135 Ų13588.6 Ų88.659%0.58745%0.45SS*.EExtended strand (participates in β ladder)trans-122.8126.7178.7-170.5177.5179.9-177.10109.1S158 S182S158-K180 WeakPolarHBondContact O-CA 3.4Å; K180-S182 PolarHBondContact O-N 3.24Å
181K91.8Very high95.7Very high59 Ų5985.3 Ų85.326%0.25743%0.43SS..  trans-64.5127.4173.9-171.4167.3174.6168.70109.1Q79 F80 D109 S158Q79-K181 PolarHBondContact O-NZ 3.41Å; F80-K181 HydrophobicContact CD1-CD 4.38Å; F80-K181 HydrophobicContact CE1-CB 3.75Å; F80-K181 HydrophobicContact CE1-CD 4.4Å; F80-K181 HydrophobicContact CZ-CB 4.14Å; D109-K181 VanDerWaalsContact CG-NZ 3.25Å; D109-K181 VanDerWaalsContact OD1-CE 3.23Å; D109-K181 WeakPolarHBondContact OD1-CE 3.06Å; D109-K181 IonicContact OD1-NZ 3.24Å; D109-K181 PolarHBondContact OD1-NZ 2.86Å; D109-K181 IonicContact OD2-NZ 2.72Å; D109-K181 PolarHBondContact OD2-NZ 2.99Å; S158-K181 PolarHBondContact O-N 3.01Å
182S86.8Confident95.7Very high143 Ų14382.8 Ų82.8100%141%0.414SS*.  trans-67.7017559.60000112.3K180K180-S182 PolarHBondContact O-N 3.24Å

Retrieved 182 of 182 residues in 46.3 ms (Link to these results)