A0A077Z4V6_TRITR Loading...

Tafazzin family protein

AlphaFold DB , UniProt , Accession A0A077Z4V6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 153 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
1M50.5Low79Confident233 Ų233122.1 Ų122.1100%1.14861%0.612SS**  0126.10-94.6-177.7-144.600108.6K3M1-K3 PolarHBondContact O-N 3.26Å
2N68Low79.7Confident139 Ų139112.7 Ų112.774%0.74357%0.565SS**  trans-71.8119.6178.4-65.2-10.3000109.9
3K71Confident80.2Confident178 Ų178108.2 Ų108.277%0.77454%0.543SS*.  trans-92.4140.7173.8-69.1-178.1179178.70109.2M1M1-K3 PolarHBondContact O-N 3.26Å
4L76Confident81Confident84 Ų84106.9 Ų106.944%0.4454%0.539SS..  trans-98.3111.6169.7176.269000106.9V6 K40L4-V6 HydrophobicContact CD1-CG2 4.2Å; L4-V6 HydrophobicContact CD2-CG2 4.19Å; L4-V6 HydrophobicContact CG-CG2 3.92Å; L4-K40 HydrophobicContact CB-CD 4Å; L4-K40 HydrophobicContact CD2-CB 3.98Å; L4-K40 HydrophobicContact CD2-CD 3.73Å; L4-K40 HydrophobicContact CD2-CG 4.32Å
5E81.5Confident81.6Confident140 Ų140101.2 Ų101.265%0.65451%0.513SS*.  trans-101.3135.7172.4-65-175.1178.400108.7
6V83.2Confident82Confident64 Ų6497.7 Ų97.739%0.38850%0.495SS..  trans-133.7122.4179.5-1790000110.2L4 M9L4-V6 HydrophobicContact CD1-CG2 4.2Å; L4-V6 HydrophobicContact CD2-CG2 4.19Å; L4-V6 HydrophobicContact CG-CG2 3.92Å; V6-M9 HydrophobicContact CB-CE 4.39Å; V6-M9 HydrophobicContact CG1-CE 3.38Å
7H87Confident82.3Confident137 Ų137103.4 Ų103.463%0.63451%0.51SS*.SBendtrans-93.3148.7-179.1-54.7-91.2000109.6M9H7-M9 VanDerWaalsContact C-N 3.26Å; H7-M9 PolarHBondContact O-N 3.06Å; H7-M9 VanDerWaalsContact O-N 3.14Å
8H87.7Confident82.8Confident167 Ų167101.3 Ų101.377%0.77351%0.507SS*.  trans54.932.9173.1-53.4-74.2000115.8N10 A11H8-N10 PolarHBondContact O-N 3.17Å; H8-N10 VanDerWaalsContact O-N 3.08Å; H8-A11 WeakPolarHBondContact O-CB 3.37Å; H8-A11 PolarHBondContact O-N 2.9Å
9M85.1Confident83.2Confident43 Ų4398.1 Ų98.121%0.21250%0.502CS..Hα-helixtrans-55-29.6176.7179.257.137.200113.2V6 H7 A11 L12 I13 R41V6-M9 HydrophobicContact CB-CE 4.39Å; V6-M9 HydrophobicContact CG1-CE 3.38Å; H7-M9 VanDerWaalsContact C-N 3.26Å; H7-M9 PolarHBondContact O-N 3.06Å; H7-M9 VanDerWaalsContact O-N 3.14Å; M9-A11 PolarHBondContact O-N 3.24Å; M9-L12 HydrophobicContact CE-CD2 4.31Å; M9-L12 PolarHBondContact O-N 2.86Å; M9-L12 VanDerWaalsContact O-N 3.1Å; M9-L12 HydrophobicContact SD-CB 4.28Å; M9-L12 HydrophobicContact SD-CD2 3.92Å; M9-I13 HydrophobicContact CG-CD1 3.94Å; M9-I13 HydrophobicContact CG-CG1 4.31Å; M9-I13 PolarHBondContact O-N 3.23Å; M9-I13 VanDerWaalsContact O-N 3.11Å; M9-R41 PolarHBondContact SD-NH1 3.14Å
10N87.4Confident83.6Confident115 Ų11593.8 Ų93.862%0.61548%0.482SS*.Hα-helixtrans-57-36.2177.2-63.8-19.4000112.1H8 L12 I13 D14H8-N10 PolarHBondContact O-N 3.17Å; H8-N10 VanDerWaalsContact O-N 3.08Å; N10-L12 VanDerWaalsContact C-N 3.31Å; N10-L12 PolarHBondContact O-N 2.99Å; N10-I13 PolarHBondContact O-N 3.18Å; N10-I13 VanDerWaalsContact O-N 3.1Å; N10-D14 WeakPolarHBondContact O-CB 3.32Å; N10-D14 PolarHBondContact O-N 2.78Å
11A91.3Very high84.1Confident43 Ų4389.4 Ų89.436%0.35546%0.459SS..Hα-helixtrans-60-40.8177.200000112.2H8 M9 C15 L141H8-A11 WeakPolarHBondContact O-CB 3.37Å; H8-A11 PolarHBondContact O-N 2.9Å; M9-A11 PolarHBondContact O-N 3.24Å; A11-C15 WeakPolarHBondContact O-CB 3.47Å; A11-C15 PolarHBondContact O-N 2.96Å; A11-C15 VanDerWaalsContact O-N 3.1Å; A11-C15 PolarHBondContact O-SG 3.26Å; A11-L141 HydrophobicContact CB-CD1 4.3Å
12L88.3Confident86.1Confident9 Ų978.5 Ų78.55%0.04741%0.405CS..Hα-helixtrans-66.6-45174.2177.164.1000111.1M9 N10 D14 C15 L16 L22 T24 W38 W105 L141M9-L12 HydrophobicContact CE-CD2 4.31Å; M9-L12 PolarHBondContact O-N 2.86Å; M9-L12 VanDerWaalsContact O-N 3.1Å; M9-L12 HydrophobicContact SD-CB 4.28Å; M9-L12 HydrophobicContact SD-CD2 3.92Å; N10-L12 VanDerWaalsContact C-N 3.31Å; N10-L12 PolarHBondContact O-N 2.99Å; L12-D14 VanDerWaalsContact C-N 3.32Å; L12-D14 PolarHBondContact O-N 2.81Å; L12-C15 PolarHBondContact O-N 2.82Å; L12-L16 HydrophobicContact CD1-CD1 4.2Å; L12-L16 HydrophobicContact CD1-CG 4.22Å; L12-L16 HydrophobicContact CG-CD1 4.02Å; L12-L16 HydrophobicContact CG-CG 4.43Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.34Å; L12-L16 PolarHBondContact O-N 3.07Å; L12-L22 HydrophobicContact CD1-CD2 3.96Å; L12-T24 HydrophobicContact CD1-CG2 4.2Å; L12-W38 HydrophobicContact CD2-CH2 4.19Å; L12-W38 HydrophobicContact CD2-CZ3 3.75Å; L12-W105 HydrophobicContact CD1-CH2 4.26Å; L12-W105 HydrophobicContact CD1-CZ2 4.13Å; L12-W105 HydrophobicContact CD2-CH2 4.42Å; L12-L141 HydrophobicContact CB-CD2 3.95Å; L12-L141 HydrophobicContact CD1-CD2 3.85Å
13I86.1Confident87.4Confident54 Ų5471.9 Ų71.928%0.27737%0.37SS..Hα-helixtrans-60.6-43.6-180-66.7171.6000110.8M9 N10 L16 R17M9-I13 HydrophobicContact CG-CD1 3.94Å; M9-I13 HydrophobicContact CG-CG1 4.31Å; M9-I13 PolarHBondContact O-N 3.23Å; M9-I13 VanDerWaalsContact O-N 3.11Å; N10-I13 PolarHBondContact O-N 3.18Å; N10-I13 VanDerWaalsContact O-N 3.1Å; I13-L16 PolarHBondContact O-N 3.1Å; I13-R17 HydrophobicContact CG2-CG 4.33Å; I13-R17 WeakPolarHBondContact O-CB 3.47Å; I13-R17 VanDerWaalsContact O-CG 3.3Å; I13-R17 WeakPolarHBondContact O-CG 3.49Å; I13-R17 PolarHBondContact O-N 3.35Å
14D91Very high88.4Confident90 Ų9063.4 Ų63.448%0.48133%0.333SS..Hα-helixtrans-67.2-39.9-179.9-64.8-24.6000111.2N10 L12 L16 R17 S18N10-D14 WeakPolarHBondContact O-CB 3.32Å; N10-D14 PolarHBondContact O-N 2.78Å; L12-D14 VanDerWaalsContact C-N 3.32Å; L12-D14 PolarHBondContact O-N 2.81Å; D14-L16 PolarHBondContact O-N 3.19Å; D14-R17 PolarHBondContact O-N 3.42Å; D14-R17 IonicContact OD1-NH1 2.64Å; D14-S18 PolarHBondContact O-N 3.42Å
15C90.8Very high89.2Confident22 Ų2260.6 Ų60.615%0.14932%0.32CS..Hα-helixtrans-59.4-46.3171.3-69.40000111.5A11 L12 R17 S18 L22A11-C15 WeakPolarHBondContact O-CB 3.47Å; A11-C15 PolarHBondContact O-N 2.96Å; A11-C15 VanDerWaalsContact O-N 3.1Å; A11-C15 PolarHBondContact O-SG 3.26Å; L12-C15 PolarHBondContact O-N 2.82Å; C15-R17 PolarHBondContact O-N 2.72Å; C15-S18 WeakPolarHBondContact O-CB 3.39Å; C15-S18 PolarHBondContact O-N 2.99Å; C15-S18 PolarHBondContact O-OG 3.47Å; C15-L22 HydrophobicContact CB-CD1 3.89Å; C15-L22 HydrophobicContact CB-CD2 4Å
16L86.7Confident89.6Confident45 Ų4554.2 Ų54.224%0.23629%0.291CS..Hα-helixtrans-66.1-37.6179.2-68.3173.5000112.4L12 I13 D14 S18 G19 L22 V45 W105L12-L16 HydrophobicContact CD1-CD1 4.2Å; L12-L16 HydrophobicContact CD1-CG 4.22Å; L12-L16 HydrophobicContact CG-CD1 4.02Å; L12-L16 HydrophobicContact CG-CG 4.43Å; L12-L16 VanDerWaalsContact O-CG 3.29Å; L12-L16 WeakPolarHBondContact O-CG 3.34Å; L12-L16 PolarHBondContact O-N 3.07Å; I13-L16 PolarHBondContact O-N 3.1Å; D14-L16 PolarHBondContact O-N 3.19Å; L16-S18 VanDerWaalsContact C-N 3.31Å; L16-S18 PolarHBondContact O-N 3.41Å; L16-G19 PolarHBondContact O-N 2.99Å; L16-L22 HydrophobicContact CD2-CD2 3.86Å; L16-L22 HydrophobicContact CG-CD2 4.36Å; L16-V45 HydrophobicContact CD1-CG1 4.06Å; L16-V45 HydrophobicContact CD1-CG2 4.47Å; L16-W105 HydrophobicContact CD1-CZ3 4.27Å; L16-W105 HydrophobicContact CD2-CD2 4.14Å; L16-W105 HydrophobicContact CD2-CE3 3.59Å; L16-W105 HydrophobicContact CD2-CZ3 4.01Å
17R88.4Confident89.9Confident195 Ų19551.5 Ų51.574%0.73627%0.274SS*.Hα-helixtrans-68-29.2176.6-76.8174.3174.4169.6-4.2113I13 D14 C15 G19I13-R17 HydrophobicContact CG2-CG 4.33Å; I13-R17 WeakPolarHBondContact O-CB 3.47Å; I13-R17 VanDerWaalsContact O-CG 3.3Å; I13-R17 WeakPolarHBondContact O-CG 3.49Å; I13-R17 PolarHBondContact O-N 3.35Å; D14-R17 PolarHBondContact O-N 3.42Å; D14-R17 IonicContact OD1-NH1 2.64Å; C15-R17 PolarHBondContact O-N 2.72Å; R17-G19 PolarHBondContact O-N 2.94Å
18S91.3Very high90Very high66 Ų6645.8 Ų45.846%0.46225%0.247SC..THydrogen-bonded Turntrans-62.1-22.4178.678.50000113.5D14 C15 L16 A20D14-S18 PolarHBondContact O-N 3.42Å; C15-S18 WeakPolarHBondContact O-CB 3.39Å; C15-S18 PolarHBondContact O-N 2.99Å; C15-S18 PolarHBondContact O-OG 3.47Å; L16-S18 VanDerWaalsContact C-N 3.31Å; L16-S18 PolarHBondContact O-N 3.41Å; S18-A20 PolarHBondContact O-N 3.16Å; S18-A20 VanDerWaalsContact O-N 3.09Å; S18-A20 WeakPolarHBondContact OG-CB 3.39Å; S18-A20 PolarHBondContact OG-N 3.49Å; S18-A20 VanDerWaalsContact OG-N 3.17Å
19G88.8Confident89.9Confident40 Ų4039.1 Ų39.141%0.41222%0.217SC..THydrogen-bonded Turntrans62.211.7-173.700000113.7L16 R17 N103L16-G19 PolarHBondContact O-N 2.99Å; R17-G19 PolarHBondContact O-N 2.94Å; G19-N103 WeakPolarHBondContact O-CB 3.49Å
20A92Very high89.7Confident12 Ų1238.7 Ų38.710%0.09922%0.218CC..SBendtrans-81.7155.2173.200000110.1S18 L22S18-A20 PolarHBondContact O-N 3.16Å; S18-A20 VanDerWaalsContact O-N 3.09Å; S18-A20 WeakPolarHBondContact OG-CB 3.39Å; S18-A20 PolarHBondContact OG-N 3.49Å; S18-A20 VanDerWaalsContact OG-N 3.17Å; A20-L22 PolarHBondContact O-N 2.84Å
21P93.7Very high89.1Confident1 Ų136.5 Ų36.51%0.00621%0.211CC..  trans-61.9137.3175.823.2-29.2000111L100 R136 P138 T139P21-L100 HydrophobicContact CB-CB 4.26Å; P21-L100 HydrophobicContact CB-CD2 4.1Å; P21-L100 WeakPolarHBondContact CB-O 3.16Å; P21-R136 HydrophobicContact CG-CB 4.12Å; P21-R136 HydrophobicContact CG-CG 4.11Å; P21-R136 WeakPolarHBondContact CG-O 3.33Å; P21-P138 HydrophobicContact CB-CB 4Å; P21-P138 HydrophobicContact CG-CB 4.16Å; P21-P138 CarbonylContact O-C 3.45Å; P21-P138 WeakPolarHBondContact O-CA 3.47Å; P21-P138 WeakPolarHBondContact O-CB 3.43Å; P21-T139 PolarHBondContact O-N 3.19Å
22L93.9Very high88.3Confident4 Ų440.1 Ų40.12%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-124.9131.4-172.2177.461.8000110.4L12 C15 L16 A20 T24 L100 G104 W105 V106 T139 L141L12-L22 HydrophobicContact CD1-CD2 3.96Å; C15-L22 HydrophobicContact CB-CD1 3.89Å; C15-L22 HydrophobicContact CB-CD2 4Å; L16-L22 HydrophobicContact CD2-CD2 3.86Å; L16-L22 HydrophobicContact CG-CD2 4.36Å; A20-L22 PolarHBondContact O-N 2.84Å; L22-T24 HydrophobicContact CD1-CG2 4.43Å; L22-T24 HydrophobicContact CD2-CG2 4.21Å; L22-T24 HydrophobicContact CG-CG2 4.22Å; L22-L100 WeakPolarHBondContact O-CD2 3.26Å; L22-G104 PolarHBondContact N-O 2.92Å; L22-G104 VanDerWaalsContact N-O 3.14Å; L22-W105 HydrophobicContact CB-CB 4.25Å; L22-W105 HydrophobicContact CB-CG 4.24Å; L22-W105 HydrophobicContact CD2-CD2 4.13Å; L22-W105 HydrophobicContact CD2-CG 3.96Å; L22-W105 HydrophobicContact CG-CG 4.19Å; L22-W105 WeakPolarHBondContact O-CA 3.18Å; L22-V106 PolarHBondContact O-N 3.28Å; L22-T139 HydrophobicContact CD1-CG2 4.38Å; L22-T139 WeakPolarHBondContact CD1-O 3.44Å; L22-L141 HydrophobicContact CD1-CB 3.97Å
23I94.3Very high87.7Confident0 Ų040.1 Ų40.10%022%0.223CC..EExtended strand (participates in β ladder)trans-114.3116.2166.7-58173.1000107.8V25 L100 V106 I108 V127 L130 V131 P138 T139 V140 L141I23-V25 HydrophobicContact CG2-CG1 3.96Å; I23-L100 HydrophobicContact CD1-CD1 3.81Å; I23-L100 HydrophobicContact CD1-CD2 4.49Å; I23-L100 HydrophobicContact CG1-CD1 3.91Å; I23-L100 HydrophobicContact CG1-CD2 3.73Å; I23-L100 HydrophobicContact CG1-CG 4.49Å; I23-V106 CarbonylContact C-O 3.59Å; I23-V106 WeakPolarHBondContact CA-O 3.25Å; I23-I108 HydrophobicContact CG2-CD1 4.08Å; I23-I108 HydrophobicContact CG2-CG1 4.35Å; I23-V127 HydrophobicContact CG2-CG1 4.38Å; I23-L130 HydrophobicContact CD1-CB 3.88Å; I23-V131 HydrophobicContact CD1-CG2 4.05Å; I23-P138 HydrophobicContact CD1-CB 4.06Å; I23-P138 HydrophobicContact CD1-CG 3.53Å; I23-P138 HydrophobicContact CG1-CB 4Å; I23-P138 HydrophobicContact CG1-CG 4.05Å; I23-T139 PolarHBondContact N-O 3.13Å; I23-V140 HydrophobicContact CB-CG2 4.39Å; I23-V140 CarbonylContact O-C 3.48Å; I23-V140 WeakPolarHBondContact O-CA 3.21Å; I23-L141 PolarHBondContact O-N 3.18Å
24T92.7Very high86.9Confident0 Ų038.2 Ų38.20%021%0.213CC..EExtended strand (participates in β ladder)trans-94.6129167.553.10000109.8L12 L22 W105 V106 H107 I108 L141 I143L12-T24 HydrophobicContact CD1-CG2 4.2Å; L22-T24 HydrophobicContact CD1-CG2 4.43Å; L22-T24 HydrophobicContact CD2-CG2 4.21Å; L22-T24 HydrophobicContact CG-CG2 4.22Å; T24-W105 HydrophobicContact CG2-CZ2 3.97Å; T24-W105 VanDerWaalsContact CG2-NE1 3.26Å; T24-W105 PolarHBondContact OG1-NE1 3.17Å; T24-V106 PolarHBondContact N-O 3.39Å; T24-H107 WeakPolarHBondContact O-CA 3.43Å; T24-H107 PolarHBondContact O-ND1 3.48Å; T24-H107 WeakPolarHBondContact OG1-CA 3.48Å; T24-H107 WeakPolarHBondContact OG1-CB 3.46Å; T24-H107 PolarHBondContact OG1-ND1 3.23Å; T24-I108 PolarHBondContact O-N 2.88Å; T24-L141 VanDerWaalsContact CA-O 3.3Å; T24-L141 WeakPolarHBondContact CA-O 3.14Å; T24-L141 HydrophobicContact CG2-CB 4.13Å; T24-L141 HydrophobicContact CG2-CD2 4.19Å; T24-I143 HydrophobicContact CG2-CD1 3.81Å
25V92.3Very high85.8Confident26 Ų2636.7 Ų36.716%0.15821%0.208CC..EExtended strand (participates in β ladder)trans-113.2134.5178.1-63.40000110.3I23 I108 P110 V127 V140 L141 P142 I143I23-V25 HydrophobicContact CG2-CG1 3.96Å; V25-I108 WeakPolarHBondContact CA-O 2.94Å; V25-P110 HydrophobicContact CB-CG 4.25Å; V25-V127 HydrophobicContact CG1-CG1 4.11Å; V25-V127 HydrophobicContact CG1-CG2 3.81Å; V25-V140 HydrophobicContact CG1-CG1 4.08Å; V25-V140 HydrophobicContact CG2-CG1 4.09Å; V25-L141 PolarHBondContact N-O 3.27Å; V25-P142 HydrophobicContact CG2-CB 4.15Å; V25-I143 PolarHBondContact O-N 3.09Å
26S90Very high84.9Confident6 Ų638.2 Ų38.24%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-142.5157.8179.9-161.50000114.3I108 F109 P110 I143 H145S26-I108 PolarHBondContact N-O 3.13Å; S26-I108 VanDerWaalsContact N-O 3.08Å; S26-F109 WeakPolarHBondContact O-CD1 3.33Å; S26-P110 WeakPolarHBondContact O-CD 3.32Å; S26-I143 WeakPolarHBondContact CA-O 3.4Å; S26-I143 VanDerWaalsContact CB-O 3.28Å; S26-I143 WeakPolarHBondContact CB-O 3.37Å; S26-I143 PolarHBondContact OG-O 2.63Å; S26-H145 PolarHBondContact OG-CD2 2.83Å
27N89.9Confident84.3Confident7 Ų737.5 Ų37.54%0.03722%0.218CC..  trans-65.8153.9168.660.3-58.8000110.6H29 F109 W144 H145N27-H29 PolarHBondContact ND2-CE1 3.04Å; N27-H29 PolarHBondContact ND2-ND1 2.99Å; N27-H29 PolarHBondContact ND2-NE2 2.83Å; N27-F109 VanDerWaalsContact O-CD1 3.29Å; N27-F109 WeakPolarHBondContact O-CD1 3.44Å; N27-F109 VanDerWaalsContact O-CE1 3.23Å; N27-F109 WeakPolarHBondContact O-CE1 3.46Å; N27-W144 HydrophobicContact CB-CE3 3.84Å; N27-W144 HydrophobicContact CB-CH2 4.13Å; N27-W144 HydrophobicContact CB-CZ3 3.62Å; N27-W144 WeakPolarHBondContact OD1-CA 3.33Å; N27-H145 PolarHBondContact ND2-NE2 2.89Å; N27-H145 PolarHBondContact ND2-O 2.8Å; N27-H145 PolarHBondContact O-CD2 3.25Å; N27-H145 PolarHBondContact O-NE2 3.13Å; N27-H145 PolarHBondContact OD1-CD2 3.43Å; N27-H145 PolarHBondContact OD1-N 3.29Å
28H87.7Confident83.6Confident17 Ų1729.1 Ų29.18%0.07919%0.187CC..  trans-124.495-177.1-164.922.3000111S30 D33 F109 E111 V114 N115H28-S30 PolarHBondContact CE1-O 3.05Å; H28-S30 PolarHBondContact ND1-O 3.41Å; H28-S30 VanDerWaalsContact ND1-O 3.15Å; H28-D33 VanDerWaalsContact C-OD2 3.3Å; H28-D33 VanDerWaalsContact CA-OD2 3.3Å; H28-D33 WeakPolarHBondContact CA-OD2 3.46Å; H28-D33 IonicContact CE1-OD2 3.46Å; H28-D33 IonicContact CG-OD2 2.96Å; H28-D33 IonicContact ND1-OD2 2.82Å; H28-D33 PolarHBondContact ND1-OD2 3.04Å; H28-F109 HydrophobicContact CB-CB 3.92Å; H28-F109 HydrophobicContact CB-CD1 3.5Å; H28-F109 HydrophobicContact CB-CE1 4.27Å; H28-F109 HydrophobicContact CB-CG 3.84Å; H28-F109 AromaticContact CG-CD1 3.81Å; H28-F109 AromaticContact CG-CG 3.85Å; H28-E111 WeakPolarHBondContact CA-OE2 3.23Å; H28-E111 WeakPolarHBondContact CB-OE2 3.38Å; H28-E111 PolarHBondContact N-OE2 3.36Å; H28-V114 WeakPolarHBondContact NE2-CG2 3.24Å; H28-V114 CarbonylContact O-C 3.45Å; H28-V114 WeakPolarHBondContact O-CA 3.13Å; H28-N115 PolarHBondContact O-N 3.21Å
29H85.6Confident82.4Confident27 Ų2729 Ų2913%0.12520%0.195CC..  trans-93.1-23.6179.2-64.1163.6000113.7N27 D33 V114 H145N27-H29 PolarHBondContact ND2-CE1 3.04Å; N27-H29 PolarHBondContact ND2-ND1 2.99Å; N27-H29 PolarHBondContact ND2-NE2 2.83Å; H29-D33 PolarHBondContact N-OD2 3.02Å; H29-V114 VanDerWaalsContact O-CG1 3.24Å; H29-V114 WeakPolarHBondContact O-CG1 3.31Å; H29-H145 AromaticContact CG-CE1 4Å; H29-H145 AromaticContact ND1-CE1 3.89Å
30S81.7Confident81Confident34 Ų3434.1 Ų34.124%0.23821%0.206CC..  trans-154.2160-176.484.10000113.3H28 I32 D33H28-S30 PolarHBondContact CE1-O 3.05Å; H28-S30 PolarHBondContact ND1-O 3.41Å; H28-S30 VanDerWaalsContact ND1-O 3.15Å; S30-I32 PolarHBondContact O-N 3.37Å; S30-I32 VanDerWaalsContact O-N 3.1Å; S30-I32 WeakPolarHBondContact OG-CG1 3.19Å; S30-I32 PolarHBondContact OG-N 3.04Å; S30-D33 WeakPolarHBondContact CB-OD1 3.38Å; S30-D33 VanDerWaalsContact N-CG 3.28Å; S30-D33 PolarHBondContact N-OD1 2.99Å; S30-D33 VanDerWaalsContact N-OD1 3.08Å; S30-D33 PolarHBondContact N-OD2 2.96Å; S30-D33 PolarHBondContact O-N 2.76Å; S30-D33 VanDerWaalsContact O-OD2 3.05Å; S30-D33 PolarHBondContact OG-N 3.18Å; S30-D33 PolarHBondContact OG-OD1 3.22Å
31C74.4Confident79.8Confident69 Ų6936.9 Ų36.947%0.46621%0.214SC..THydrogen-bonded Turntrans-67.2-5.5173.2-66.40000114.2R54C31-R54 PolarHBondContact O-NH2 3.44Å
32I74.3Confident78.1Confident118 Ų11840.9 Ų40.961%0.60524%0.242SC*.THydrogen-bonded Turntrans-109.25.6179.563.6165.1000112.4S30 E34 P35 A36S30-I32 PolarHBondContact O-N 3.37Å; S30-I32 VanDerWaalsContact O-N 3.1Å; S30-I32 WeakPolarHBondContact OG-CG1 3.19Å; S30-I32 PolarHBondContact OG-N 3.04Å; I32-E34 VanDerWaalsContact C-N 3.28Å; I32-E34 PolarHBondContact O-N 3.3Å; I32-P35 VanDerWaalsContact O-CD 3.31Å; I32-P35 WeakPolarHBondContact O-CD 3.38Å; I32-A36 WeakPolarHBondContact O-CB 3.45Å; I32-A36 PolarHBondContact O-N 3.35Å
33D76.2Confident76.5Confident10 Ų1047.9 Ų47.95%0.05327%0.269CS..Hα-helixtrans-54.9-46.3-179.8-65.9-13.2000110.4H28 H29 S30 A36 L37 F109 H145H28-D33 VanDerWaalsContact C-OD2 3.3Å; H28-D33 VanDerWaalsContact CA-OD2 3.3Å; H28-D33 WeakPolarHBondContact CA-OD2 3.46Å; H28-D33 IonicContact CE1-OD2 3.46Å; H28-D33 IonicContact CG-OD2 2.96Å; H28-D33 IonicContact ND1-OD2 2.82Å; H28-D33 PolarHBondContact ND1-OD2 3.04Å; H29-D33 PolarHBondContact N-OD2 3.02Å; S30-D33 WeakPolarHBondContact CB-OD1 3.38Å; S30-D33 VanDerWaalsContact N-CG 3.28Å; S30-D33 PolarHBondContact N-OD1 2.99Å; S30-D33 VanDerWaalsContact N-OD1 3.08Å; S30-D33 PolarHBondContact N-OD2 2.96Å; S30-D33 PolarHBondContact O-N 2.76Å; S30-D33 VanDerWaalsContact O-OD2 3.05Å; S30-D33 PolarHBondContact OG-N 3.18Å; S30-D33 PolarHBondContact OG-OD1 3.22Å; D33-A36 PolarHBondContact O-N 3.12Å; D33-L37 HydrophobicContact CB-CD1 4.07Å; D33-L37 VanDerWaalsContact O-CB 3.25Å; D33-L37 WeakPolarHBondContact O-CB 3.33Å; D33-L37 VanDerWaalsContact O-CD1 3.23Å; D33-L37 WeakPolarHBondContact O-CD1 3.45Å; D33-L37 PolarHBondContact O-N 3.41Å; D33-F109 HydrophobicContact CB-CE1 4.37Å; D33-F109 HydrophobicContact CB-CZ 4.28Å; D33-H145 IonicContact OD1-CE1 2.72Å; D33-H145 PolarHBondContact OD1-CE1 3.35Å; D33-H145 IonicContact OD2-CE1 3.07Å; D33-H145 PolarHBondContact OD2-CE1 3.16Å; D33-H145 IonicContact OD2-NE2 3.4Å; D33-H145 PolarHBondContact OD2-NE2 2.77Å
34E69.1Low74.9Confident14 Ų1451.6 Ų51.67%0.06530%0.295CS..Hα-helixtrans-67.6-50.5-177.2-54.895.6119.500113.7I32 A36 L37 W38 C52 R54 F109I32-E34 VanDerWaalsContact C-N 3.28Å; I32-E34 PolarHBondContact O-N 3.3Å; E34-A36 PolarHBondContact O-N 3.17Å; E34-L37 PolarHBondContact O-N 3.4Å; E34-W38 WeakPolarHBondContact O-CB 3.37Å; E34-W38 VanDerWaalsContact O-CD1 3.28Å; E34-W38 PolarHBondContact O-N 3.19Å; E34-C52 VanDerWaalsContact CG-SG 3.56Å; E34-C52 PolarHBondContact OE1-SG 3.1Å; E34-R54 WeakPolarHBondContact OE1-CG 3.5Å; E34-R54 IonicContact OE1-CZ 3.98Å; E34-R54 VanDerWaalsContact OE1-CZ 3.24Å; E34-R54 IonicContact OE1-NE 2.92Å; E34-R54 PolarHBondContact OE1-NE 2.81Å; E34-R54 IonicContact OE1-NH2 3.24Å; E34-R54 PolarHBondContact OE1-NH2 3.1Å; E34-R54 IonicContact OE2-CZ 3.87Å; E34-R54 IonicContact OE2-NE 3.39Å; E34-R54 IonicContact OE2-NH2 3.87Å; E34-R54 PolarHBondContact OE2-NH2 2.84Å; E34-F109 HydrophobicContact CG-CE2 3.28Å; E34-F109 HydrophobicContact CG-CZ 3.46Å; E34-F109 VanDerWaalsContact CG-CZ 3.46Å; E34-F109 VanDerWaalsContact OE1-CE2 3.26Å; E34-F109 WeakPolarHBondContact OE1-CE2 3.35Å
35P67.3Low73.6Confident57 Ų5753 Ų5337%0.3730%0.303SS..Hα-helixtrans-56.8-35.2171.1-25.334.2000112.8I32 G39 F73I32-P35 VanDerWaalsContact O-CD 3.31Å; I32-P35 WeakPolarHBondContact O-CD 3.38Å; P35-G39 WeakPolarHBondContact O-CA 3.49Å; P35-G39 PolarHBondContact O-N 2.84Å; P35-F73 HydrophobicContact CG-CE1 4.44Å; P35-F73 HydrophobicContact CG-CZ 4.39Å
36A72.2Confident72.1Confident54 Ų5456.3 Ų56.345%0.44631%0.314SS..Hα-helixtrans-73.9-44-179.300000112.9I32 D33 E34I32-A36 WeakPolarHBondContact O-CB 3.45Å; I32-A36 PolarHBondContact O-N 3.35Å; D33-A36 PolarHBondContact O-N 3.12Å; E34-A36 PolarHBondContact O-N 3.17Å
37L73.4Confident70.7Confident30 Ų3061.9 Ų61.916%0.15734%0.337CS..Hα-helixtrans-64.1-46.8178.5-90138.7000111.2D33 E34 I143 H145D33-L37 HydrophobicContact CB-CD1 4.07Å; D33-L37 VanDerWaalsContact O-CB 3.25Å; D33-L37 WeakPolarHBondContact O-CB 3.33Å; D33-L37 VanDerWaalsContact O-CD1 3.23Å; D33-L37 WeakPolarHBondContact O-CD1 3.45Å; D33-L37 PolarHBondContact O-N 3.41Å; E34-L37 PolarHBondContact O-N 3.4Å; L37-I143 HydrophobicContact CD2-CG2 3.78Å; L37-H145 HydrophobicContact CD2-CB 4.47Å
38W75.2Confident69.2Low20 Ų2064 Ų648%0.07635%0.352CS..Hα-helixtrans-100.6-25.9-170.5-54.9117.2000113.8L12 E34 K40 R41 W105 H107 I143L12-W38 HydrophobicContact CD2-CH2 4.19Å; L12-W38 HydrophobicContact CD2-CZ3 3.75Å; E34-W38 WeakPolarHBondContact O-CB 3.37Å; E34-W38 VanDerWaalsContact O-CD1 3.28Å; E34-W38 PolarHBondContact O-N 3.19Å; W38-K40 VanDerWaalsContact C-N 3.29Å; W38-K40 PolarHBondContact O-N 3.19Å; W38-R41 WeakPolarHBondContact O-CB 3.49Å; W38-R41 PolarHBondContact O-N 2.98Å; W38-R41 VanDerWaalsContact O-N 3.09Å; W38-W105 HydrophobicContact CD2-CH2 4.37Å; W38-W105 AromaticContact CE3-CH2 3.81Å; W38-W105 HydrophobicContact CE3-CH2 3.81Å; W38-W105 HydrophobicContact CE3-CZ2 4.25Å; W38-W105 AromaticContact CH2-CH2 3.67Å; W38-W105 HydrophobicContact CH2-CH2 3.67Å; W38-W105 AromaticContact CH2-CZ2 3.34Å; W38-W105 HydrophobicContact CH2-CZ2 3.34Å; W38-W105 HydrophobicContact CZ2-CH2 4.21Å; W38-W105 AromaticContact CZ2-CZ2 3.66Å; W38-W105 HydrophobicContact CZ2-CZ2 3.66Å; W38-W105 AromaticContact CZ3-CH2 3.44Å; W38-W105 HydrophobicContact CZ3-CH2 3.44Å; W38-W105 VanDerWaalsContact CZ3-CH2 3.44Å; W38-W105 AromaticContact CZ3-CZ2 3.67Å; W38-W105 HydrophobicContact CZ3-CZ2 3.67Å; W38-H107 AromaticContact CZ2-CE1 3.98Å; W38-H107 AromaticContact CZ2-ND1 3.88Å; W38-H107 AromaticContact NE1-CD2 3.53Å; W38-H107 AromaticContact NE1-CG 3.87Å; W38-H107 AromaticContact NE1-NE2 3.76Å; W38-I143 HydrophobicContact CH2-CD1 3.57Å; W38-I143 HydrophobicContact CZ2-CD1 3.91Å
39G65.3Low67.7Low62 Ų6266.9 Ų66.964%0.63937%0.368SS*.Hα-helixtrans-68.8-20.2-174.100000115.2P35P35-G39 WeakPolarHBondContact O-CA 3.49Å; P35-G39 PolarHBondContact O-N 2.84Å
40K60.3Low66.6Low148 Ų14866.1 Ų66.164%0.64337%0.365SS*.THydrogen-bonded Turntrans-90.31.5173.6-75.1-167.3178.4-178.70113.8L4 W38L4-K40 HydrophobicContact CB-CD 4Å; L4-K40 HydrophobicContact CD2-CB 3.98Å; L4-K40 HydrophobicContact CD2-CD 3.73Å; L4-K40 HydrophobicContact CD2-CG 4.32Å; W38-K40 VanDerWaalsContact C-N 3.29Å; W38-K40 PolarHBondContact O-N 3.19Å
41R65.3Low65.9Low71 Ų7167.1 Ų67.127%0.26837%0.365SS..SBendtrans-95.1153.1-176.8-62.5-61.8175.6169.3-23.2111.6M9 W38 Y43 V45M9-R41 PolarHBondContact SD-NH1 3.14Å; W38-R41 WeakPolarHBondContact O-CB 3.49Å; W38-R41 PolarHBondContact O-N 2.98Å; W38-R41 VanDerWaalsContact O-N 3.09Å; R41-Y43 PolarHBondContact O-N 2.81Å; R41-V45 HydrophobicContact CB-CB 4.43Å
42S59.7Low65.4Low84 Ų8464.2 Ų64.259%0.58735%0.346SS*.  trans-49.2133.2177.4176.80000109.2S44 V45 Y46S42-S44 PolarHBondContact O-N 3.44Å; S42-V45 WeakPolarHBondContact O-CB 3.28Å; S42-V45 PolarHBondContact O-N 3.11Å; S42-Y46 PolarHBondContact O-N 3.43Å
43Y59.2Low65Low152 Ų15258.8 Ų58.860%0.59632%0.318SS*.Hα-helixtrans-50.3-24.9178.5-177.2-117.1000112.9R41 Y46 K47R41-Y43 PolarHBondContact O-N 2.81Å; Y43-Y46 HydrophobicContact CD2-CD1 4.46Å; Y43-Y46 HydrophobicContact CE2-CD1 4.39Å; Y43-Y46 PolarHBondContact O-N 3.19Å; Y43-K47 HydrophobicContact CD1-CD 3.86Å; Y43-K47 HydrophobicContact CD1-CG 4.31Å; Y43-K47 HydrophobicContact CE1-CD 3.49Å; Y43-K47 VanDerWaalsContact CE1-CD 3.49Å; Y43-K47 HydrophobicContact CE1-CG 4.02Å; Y43-K47 VanDerWaalsContact CE1-NZ 3.34Å; Y43-K47 HydrophobicContact CE2-CG 4.43Å; Y43-K47 VanDerWaalsContact CZ-CE 3.41Å; Y43-K47 WeakPolarHBondContact O-CB 3.47Å; Y43-K47 PolarHBondContact O-N 3.48Å; Y43-K47 VanDerWaalsContact OH-CE 3.29Å; Y43-K47 WeakPolarHBondContact OH-CE 3.47Å
44S61Low64.5Low78 Ų7859.3 Ų59.355%0.54532%0.319SS..Hα-helixtrans-58.8-46.2171.6-1660000112.8S42 Y46 K47 S48S42-S44 PolarHBondContact O-N 3.44Å; S44-Y46 VanDerWaalsContact C-N 3.33Å; S44-Y46 PolarHBondContact O-N 3.48Å; S44-K47 PolarHBondContact O-N 3.26Å; S44-S48 PolarHBondContact O-N 2.94Å; S44-S48 PolarHBondContact O-OG 3.02Å
45V64.6Low64.2Low28 Ų2860.4 Ų60.417%0.1733%0.327CS..Hα-helixtrans-66.4-37.2177.71790000110.9L16 R41 S42 K47 S48 W105L16-V45 HydrophobicContact CD1-CG1 4.06Å; L16-V45 HydrophobicContact CD1-CG2 4.47Å; R41-V45 HydrophobicContact CB-CB 4.43Å; S42-V45 WeakPolarHBondContact O-CB 3.28Å; S42-V45 PolarHBondContact O-N 3.11Å; V45-K47 VanDerWaalsContact C-N 3.35Å; V45-S48 WeakPolarHBondContact O-CB 3.46Å; V45-S48 PolarHBondContact O-N 3.3Å; V45-W105 HydrophobicContact CG1-CH2 3.86Å; V45-W105 HydrophobicContact CG1-CZ3 3.66Å; V45-W105 WeakPolarHBondContact O-CZ3 3.23Å
46Y61.9Low63.9Low96 Ų9659 Ų5938%0.37632%0.316SS..Hα-helixtrans-68.2-35.1175.9-176.5-95.7000112.5S42 Y43 S44 G77S42-Y46 PolarHBondContact O-N 3.43Å; Y43-Y46 HydrophobicContact CD2-CD1 4.46Å; Y43-Y46 HydrophobicContact CE2-CD1 4.39Å; Y43-Y46 PolarHBondContact O-N 3.19Å; S44-Y46 VanDerWaalsContact C-N 3.33Å; S44-Y46 PolarHBondContact O-N 3.48Å; Y46-G77 WeakPolarHBondContact OH-CA 3.5Å
47K60.2Low63.4Low123 Ų12357.5 Ų57.554%0.53530%0.303SS..Hα-helixtrans-72.4-29.5176-86.7-176.3156.3175.60113.1Y43 S44 V45 I49Y43-K47 HydrophobicContact CD1-CD 3.86Å; Y43-K47 HydrophobicContact CD1-CG 4.31Å; Y43-K47 HydrophobicContact CE1-CD 3.49Å; Y43-K47 VanDerWaalsContact CE1-CD 3.49Å; Y43-K47 HydrophobicContact CE1-CG 4.02Å; Y43-K47 VanDerWaalsContact CE1-NZ 3.34Å; Y43-K47 HydrophobicContact CE2-CG 4.43Å; Y43-K47 VanDerWaalsContact CZ-CE 3.41Å; Y43-K47 WeakPolarHBondContact O-CB 3.47Å; Y43-K47 PolarHBondContact O-N 3.48Å; Y43-K47 VanDerWaalsContact OH-CE 3.29Å; Y43-K47 WeakPolarHBondContact OH-CE 3.47Å; S44-K47 PolarHBondContact O-N 3.26Å; V45-K47 VanDerWaalsContact C-N 3.35Å; K47-I49 PolarHBondContact O-N 3.26Å
48S59.2Low62.7Low51 Ų5163.4 Ų63.436%0.35732%0.324SS..THydrogen-bonded Turntrans-62.689.3166.9-60.70000108S44 V45 V50 W105S44-S48 PolarHBondContact O-N 2.94Å; S44-S48 PolarHBondContact O-OG 3.02Å; V45-S48 WeakPolarHBondContact O-CB 3.46Å; V45-S48 PolarHBondContact O-N 3.3Å; S48-V50 PolarHBondContact O-N 3.49Å; S48-W105 VanDerWaalsContact O-CE3 3.3Å
49I56.5Low61.9Low78 Ų7869.4 Ų69.440%0.435%0.352SS..THydrogen-bonded Turntrans-21.293-168.6-57.6175.7000113.1K47 F51 V99 W105K47-I49 PolarHBondContact O-N 3.26Å; I49-F51 HydrophobicContact CG2-CD2 3.43Å; I49-F51 VanDerWaalsContact CG2-CD2 3.43Å; I49-F51 HydrophobicContact CG2-CE2 3.16Å; I49-F51 HydrophobicContact CG2-CZ 4.31Å; I49-V99 HydrophobicContact CG2-CG1 4.36Å; I49-W105 CarbonylContact O-C 3.58Å; I49-W105 WeakPolarHBondContact O-CA 3.43Å; I49-W105 WeakPolarHBondContact O-CB 3.44Å; I49-W105 PolarHBondContact O-N 3.1Å
50V62.2Low61.6Low12 Ų1272 Ų727%0.07335%0.346CS..EExtended strand (participates in β ladder)trans-90.6114.1167.4179.90000107.9S48 R78 W105 H107S48-V50 PolarHBondContact O-N 3.49Å; V50-R78 WeakPolarHBondContact O-CB 3.42Å; V50-W105 HydrophobicContact CG2-CD2 3.87Å; V50-W105 HydrophobicContact CG2-CE3 3.43Å; V50-W105 VanDerWaalsContact CG2-CE3 3.43Å; V50-W105 HydrophobicContact CG2-CH2 3.69Å; V50-W105 HydrophobicContact CG2-CZ2 4.09Å; V50-W105 HydrophobicContact CG2-CZ3 3.34Å; V50-H107 HydrophobicContact CG1-CB 4.2Å
51F65.5Low61.6Low55 Ų5566 Ų6624%0.24132%0.321CS..EExtended strand (participates in β ladder)trans-98.3114.3158.2-74.4-92000108.8I49 R78 I80 V99 W105 H107I49-F51 HydrophobicContact CG2-CD2 3.43Å; I49-F51 VanDerWaalsContact CG2-CD2 3.43Å; I49-F51 HydrophobicContact CG2-CE2 3.16Å; I49-F51 HydrophobicContact CG2-CZ 4.31Å; F51-R78 WeakPolarHBondContact CA-O 3.32Å; F51-R78 HydrophobicContact CD1-CB 3.98Å; F51-R78 WeakPolarHBondContact CD1-O 3.28Å; F51-R78 HydrophobicContact CE1-CB 4.17Å; F51-I80 HydrophobicContact CB-CD1 3.69Å; F51-I80 HydrophobicContact CB-CG1 4.2Å; F51-I80 HydrophobicContact CD1-CD1 3.6Å; F51-I80 HydrophobicContact CD1-CG1 3.75Å; F51-I80 HydrophobicContact CE1-CD1 4.48Å; F51-I80 HydrophobicContact CG-CD1 3.89Å; F51-I80 HydrophobicContact CG-CG1 4.39Å; F51-V99 HydrophobicContact CD1-CG2 4.46Å; F51-V99 HydrophobicContact CD2-CB 4.04Å; F51-V99 HydrophobicContact CD2-CG1 3.64Å; F51-V99 HydrophobicContact CD2-CG2 3.2Å; F51-V99 HydrophobicContact CE1-CG2 4.5Å; F51-V99 HydrophobicContact CE2-CB 4.32Å; F51-V99 HydrophobicContact CE2-CG1 4.11Å; F51-V99 HydrophobicContact CE2-CG2 3.23Å; F51-V99 HydrophobicContact CG-CG2 3.84Å; F51-V99 HydrophobicContact CZ-CG2 3.93Å; F51-W105 PolarHBondContact N-O 2.79Å; F51-W105 VanDerWaalsContact N-O 3.12Å; F51-H107 PolarHBondContact O-N 3.08Å
52C65Low61.2Low8 Ų868 Ų685%0.05433%0.333CS..EExtended strand (participates in β ladder)trans-84.4127.4174.9174.70000109.8E34 R78 C79 I80E34-C52 VanDerWaalsContact CG-SG 3.56Å; E34-C52 PolarHBondContact OE1-SG 3.1Å; C52-R78 PolarHBondContact N-O 2.77Å; C52-C79 CarbonylContact O-C 3.28Å; C52-C79 VanDerWaalsContact O-CA 3.24Å; C52-C79 WeakPolarHBondContact O-CA 3.18Å; C52-C79 PolarHBondContact O-SG 3.33Å; C52-I80 PolarHBondContact O-N 3.02Å
53V66.3Low61.2Low4 Ų466.7 Ų66.72%0.02432%0.324CS..EExtended strand (participates in β ladder)trans-92.8109.4175.3179.10000110.1I82 C96 V106 H107 I108V53-I82 HydrophobicContact CG1-CB 4.46Å; V53-I82 HydrophobicContact CG1-CD1 3.14Å; V53-I82 HydrophobicContact CG1-CG1 3.74Å; V53-C96 WeakPolarHBondContact CG2-SG 3.26Å; V53-V106 HydrophobicContact CG2-CG1 3.62Å; V53-H107 PolarHBondContact N-O 3.32Å; V53-I108 HydrophobicContact CB-CG1 4.06Å; V53-I108 HydrophobicContact CB-CG2 4.46Å; V53-I108 HydrophobicContact CG2-CD1 4.34Å; V53-I108 HydrophobicContact CG2-CG1 3.88Å
54R64.4Low61.2Low20 Ų2060.8 Ų60.88%0.07530%0.301CS..EExtended strand (participates in β ladder)trans-102.2116172.5-78.9-170.6173.9-146.8-6111.2C31 E34 L56 F74 C79 I80 I82C31-R54 PolarHBondContact O-NH2 3.44Å; E34-R54 WeakPolarHBondContact OE1-CG 3.5Å; E34-R54 IonicContact OE1-CZ 3.98Å; E34-R54 VanDerWaalsContact OE1-CZ 3.24Å; E34-R54 IonicContact OE1-NE 2.92Å; E34-R54 PolarHBondContact OE1-NE 2.81Å; E34-R54 IonicContact OE1-NH2 3.24Å; E34-R54 PolarHBondContact OE1-NH2 3.1Å; E34-R54 IonicContact OE2-CZ 3.87Å; E34-R54 IonicContact OE2-NE 3.39Å; E34-R54 IonicContact OE2-NH2 3.87Å; E34-R54 PolarHBondContact OE2-NH2 2.84Å; R54-L56 PolarHBondContact O-N 3.33Å; R54-F74 VanDerWaalsContact NH2-CE1 3.29Å; R54-C79 VanDerWaalsContact CB-SG 3.54Å; R54-C79 WeakPolarHBondContact CD-SG 3.49Å; R54-C79 WeakPolarHBondContact CG-SG 3.38Å; R54-I80 PolarHBondContact N-O 3.43Å; R54-I82 PolarHBondContact O-N 2.85Å
55T63.4Low61.1Low38 Ų3863.2 Ų63.223%0.23330%0.298CS..EExtended strand (participates in β ladder)trans-85.1110.4173.4-36.80000109.3I82 R84 G112T55-I82 CarbonylContact C-O 3.52Å; T55-I82 VanDerWaalsContact CA-O 3.31Å; T55-I82 WeakPolarHBondContact CA-O 3.45Å; T55-I82 HydrophobicContact CG2-CB 4.2Å; T55-I82 HydrophobicContact CG2-CG2 3.93Å; T55-R84 HydrophobicContact CG2-CB 4.28Å; T55-R84 HydrophobicContact CG2-CG 3.29Å; T55-G112 WeakPolarHBondContact CB-O 3.48Å
56L61.8Low60.9Low27 Ų2771.9 Ų71.914%0.14133%0.328CS..EExtended strand (participates in β ladder)trans-107.4146.2-178.3-66.6173.5000109.8R54 K60 I61 F64 P81 I82 V83 R84R54-L56 PolarHBondContact O-N 3.33Å; L56-K60 HydrophobicContact CB-CB 4.27Å; L56-K60 HydrophobicContact CD2-CB 4.39Å; L56-I61 HydrophobicContact CB-CD1 4.01Å; L56-I61 HydrophobicContact CB-CG1 3.47Å; L56-I61 VanDerWaalsContact CB-CG1 3.47Å; L56-I61 HydrophobicContact CD1-CG1 3.85Å; L56-I61 HydrophobicContact CG-CG1 4.31Å; L56-F64 HydrophobicContact CD1-CB 4.3Å; L56-F64 HydrophobicContact CD1-CD1 4.24Å; L56-F64 HydrophobicContact CD1-CD2 4.49Å; L56-F64 HydrophobicContact CD1-CG 4.1Å; L56-P81 HydrophobicContact CD1-CB 4.41Å; L56-I82 PolarHBondContact N-O 2.74Å; L56-V83 WeakPolarHBondContact O-CA 3.29Å; L56-R84 PolarHBondContact O-N 3.19Å
57S60.2Low61Low23 Ų2371.4 Ų71.416%0.16133%0.331CS..  trans-59.5151.1164.9-40.30000109.6H59 K60 I61 R84S57-H59 VanDerWaalsContact C-N 3.29Å; S57-H59 PolarHBondContact O-N 3.02Å; S57-K60 CarbonylContact O-C 3.55Å; S57-K60 WeakPolarHBondContact O-CA 3.32Å; S57-K60 WeakPolarHBondContact O-CB 3.46Å; S57-K60 PolarHBondContact O-N 3.35Å; S57-I61 PolarHBondContact O-N 2.86Å; S57-R84 PolarHBondContact OG-NE 3.36Å; S57-R84 PolarHBondContact OG-NH2 2.89Å
58Y58.7Low61.4Low153 Ų15367.6 Ų67.660%0.633%0.327SS*.Hα-helixtrans-49.2-49.3173.3-176.1-96.6000112.7K60 I61 Q62 V83Y58-K60 VanDerWaalsContact C-N 3.27Å; Y58-K60 PolarHBondContact O-N 3.29Å; Y58-I61 WeakPolarHBondContact O-CB 3.26Å; Y58-I61 PolarHBondContact O-N 2.97Å; Y58-I61 VanDerWaalsContact O-N 3.1Å; Y58-Q62 PolarHBondContact O-N 3.39Å; Y58-V83 HydrophobicContact CD2-CG1 4.14Å
59H58.9Low62Low146 Ų14675.7 Ų75.768%0.67635%0.349SS*.Hα-helixtrans-60.4-34.8175.1-59.6-65.6000113.8S57 Q62 S63S57-H59 VanDerWaalsContact C-N 3.29Å; S57-H59 PolarHBondContact O-N 3.02Å; H59-Q62 PolarHBondContact O-N 2.92Å; H59-S63 PolarHBondContact O-N 2.86Å; H59-S63 VanDerWaalsContact O-N 3.08Å; H59-S63 PolarHBondContact O-OG 3.4Å
60K60.3Low62.6Low116 Ų11675.8 Ų75.850%0.50435%0.35SS..Hα-helixtrans-72.1-31.7177.6-75.3-167.9175.6-171.80111.5L56 S57 Y58 S63 F64L56-K60 HydrophobicContact CB-CB 4.27Å; L56-K60 HydrophobicContact CD2-CB 4.39Å; S57-K60 CarbonylContact O-C 3.55Å; S57-K60 WeakPolarHBondContact O-CA 3.32Å; S57-K60 WeakPolarHBondContact O-CB 3.46Å; S57-K60 PolarHBondContact O-N 3.35Å; Y58-K60 VanDerWaalsContact C-N 3.27Å; Y58-K60 PolarHBondContact O-N 3.29Å; K60-S63 WeakPolarHBondContact CA-OG 3.49Å; K60-S63 PolarHBondContact O-OG 3.18Å; K60-S63 VanDerWaalsContact O-OG 3.1Å; K60-F64 WeakPolarHBondContact O-CA 3.25Å; K60-F64 WeakPolarHBondContact O-CB 3.3Å; K60-F64 PolarHBondContact O-N 3.22Å
61I58.8Low62.9Low24 Ų2479.2 Ų79.212%0.12336%0.363CS..Hα-helixtrans-63.5-49173.8-73.7168.8000109.2L56 S57 Y58 S63 F64 W65 V83L56-I61 HydrophobicContact CB-CD1 4.01Å; L56-I61 HydrophobicContact CB-CG1 3.47Å; L56-I61 VanDerWaalsContact CB-CG1 3.47Å; L56-I61 HydrophobicContact CD1-CG1 3.85Å; L56-I61 HydrophobicContact CG-CG1 4.31Å; S57-I61 PolarHBondContact O-N 2.86Å; Y58-I61 WeakPolarHBondContact O-CB 3.26Å; Y58-I61 PolarHBondContact O-N 2.97Å; Y58-I61 VanDerWaalsContact O-N 3.1Å; I61-S63 PolarHBondContact O-N 3.12Å; I61-F64 WeakPolarHBondContact O-CB 3.34Å; I61-F64 PolarHBondContact O-N 3.1Å; I61-F64 VanDerWaalsContact O-N 3.13Å; I61-W65 VanDerWaalsContact CG2-NE1 3.3Å; I61-W65 PolarHBondContact O-N 3.36Å; I61-V83 HydrophobicContact CD1-CB 3.87Å; I61-V83 HydrophobicContact CD1-CG1 4.22Å; I61-V83 HydrophobicContact CD1-CG2 3.27Å
62Q57.6Low63.2Low113 Ų11385.2 Ų85.253%0.52838%0.384SS..Hα-helixtrans-60.8-42.7179-165.1179.241.800112.5Y58 H59 R66Y58-Q62 PolarHBondContact O-N 3.39Å; H59-Q62 PolarHBondContact O-N 2.92Å; Q62-R66 WeakPolarHBondContact O-CG 3.43Å; Q62-R66 PolarHBondContact O-N 3.08Å
63S58.5Low63.5Low55 Ų5590.3 Ų90.339%0.38541%0.405SS..Hα-helixtrans-69.3-34.9175.467.30000112.5H59 K60 I61 R66 I67H59-S63 PolarHBondContact O-N 2.86Å; H59-S63 VanDerWaalsContact O-N 3.08Å; H59-S63 PolarHBondContact O-OG 3.4Å; K60-S63 WeakPolarHBondContact CA-OG 3.49Å; K60-S63 PolarHBondContact O-OG 3.18Å; K60-S63 VanDerWaalsContact O-OG 3.1Å; I61-S63 PolarHBondContact O-N 3.12Å; S63-R66 PolarHBondContact O-N 2.87Å; S63-I67 WeakPolarHBondContact O-CG1 3.5Å; S63-I67 PolarHBondContact O-N 2.84Å
64F60.7Low63.5Low28 Ų2891.5 Ų91.512%0.12341%0.41CS..Hα-helixtrans-62.1-44.4175.7-173.2-102.5000111.9L56 K60 I61 L70 Y71 F74L56-F64 HydrophobicContact CD1-CB 4.3Å; L56-F64 HydrophobicContact CD1-CD1 4.24Å; L56-F64 HydrophobicContact CD1-CD2 4.49Å; L56-F64 HydrophobicContact CD1-CG 4.1Å; K60-F64 WeakPolarHBondContact O-CA 3.25Å; K60-F64 WeakPolarHBondContact O-CB 3.3Å; K60-F64 PolarHBondContact O-N 3.22Å; I61-F64 WeakPolarHBondContact O-CB 3.34Å; I61-F64 PolarHBondContact O-N 3.1Å; I61-F64 VanDerWaalsContact O-N 3.13Å; F64-L70 HydrophobicContact CD2-CB 4.4Å; F64-L70 HydrophobicContact CE2-CB 4.13Å; F64-Y71 HydrophobicContact CD1-CD2 4.08Å; F64-Y71 AromaticContact CE1-CD2 3.72Å; F64-Y71 HydrophobicContact CE1-CD2 3.72Å; F64-Y71 HydrophobicContact CE1-CG 4.45Å; F64-Y71 WeakPolarHBondContact O-CB 3.4Å; F64-F74 AromaticContact CE2-CD2 3.23Å; F64-F74 HydrophobicContact CE2-CD2 3.23Å; F64-F74 AromaticContact CE2-CE2 3.7Å; F64-F74 HydrophobicContact CE2-CE2 3.7Å; F64-F74 HydrophobicContact CE2-CG 4.15Å; F64-F74 HydrophobicContact CZ-CB 3.79Å; F64-F74 AromaticContact CZ-CD2 3.35Å; F64-F74 HydrophobicContact CZ-CD2 3.35Å; F64-F74 HydrophobicContact CZ-CE2 4.28Å; F64-F74 AromaticContact CZ-CG 3.9Å; F64-F74 HydrophobicContact CZ-CG 3.9Å
65W59.2Low63.9Low129 Ų12992.8 Ų92.849%0.48942%0.422SS..Hα-helixtrans-66.6-37.9172.6-71.2110.3000112.6I61 I67 Y71I61-W65 VanDerWaalsContact CG2-NE1 3.3Å; I61-W65 PolarHBondContact O-N 3.36Å; W65-I67 VanDerWaalsContact C-N 3.35Å; W65-I67 PolarHBondContact O-N 3.02Å; W65-Y71 HydrophobicContact CD2-CD2 4.02Å; W65-Y71 HydrophobicContact CD2-CE2 4.05Å; W65-Y71 HydrophobicContact CE3-CD1 4.42Å; W65-Y71 AromaticContact CE3-CD2 3.61Å; W65-Y71 HydrophobicContact CE3-CD2 3.61Å; W65-Y71 HydrophobicContact CE3-CE1 4.26Å; W65-Y71 AromaticContact CE3-CE2 3.45Å; W65-Y71 HydrophobicContact CE3-CE2 3.45Å; W65-Y71 VanDerWaalsContact CE3-CE2 3.45Å; W65-Y71 HydrophobicContact CE3-CG 4.12Å; W65-Y71 AromaticContact CE3-CZ 3.79Å; W65-Y71 HydrophobicContact CH2-CD2 4.16Å; W65-Y71 AromaticContact CH2-CE2 3.23Å; W65-Y71 HydrophobicContact CH2-CE2 3.23Å; W65-Y71 AromaticContact CH2-CZ 3.51Å; W65-Y71 WeakPolarHBondContact CH2-OH 3.43Å; W65-Y71 AromaticContact CZ2-CE2 3.83Å; W65-Y71 HydrophobicContact CZ2-CE2 3.83Å; W65-Y71 HydrophobicContact CZ3-CD1 4.43Å; W65-Y71 AromaticContact CZ3-CD2 3.74Å; W65-Y71 HydrophobicContact CZ3-CD2 3.74Å; W65-Y71 AromaticContact CZ3-CE1 3.83Å; W65-Y71 HydrophobicContact CZ3-CE1 3.83Å; W65-Y71 AromaticContact CZ3-CE2 3.04Å; W65-Y71 HydrophobicContact CZ3-CE2 3.04Å; W65-Y71 HydrophobicContact CZ3-CG 4.39Å; W65-Y71 AromaticContact CZ3-CZ 3.08Å; W65-Y71 WeakPolarHBondContact CZ3-OH 3.3Å
66R58.6Low64.3Low210 Ų21096.5 Ų96.579%0.79244%0.439SS*.Hα-helixtrans-66.2-35.3177.5-79.5177.978.3171.83112.6Q62 S63 G68Q62-R66 WeakPolarHBondContact O-CG 3.43Å; Q62-R66 PolarHBondContact O-N 3.08Å; S63-R66 PolarHBondContact O-N 2.87Å; R66-G68 VanDerWaalsContact C-N 3.33Å; R66-G68 PolarHBondContact O-N 2.93Å; R66-G68 VanDerWaalsContact O-N 3.13Å
67I64.7Low64.6Low87 Ų8796.3 Ų96.345%0.44644%0.444SS..SBendtrans-89.576.7178.2-54.9165.2000108.1S63 W65 R69 L70 Y71S63-I67 WeakPolarHBondContact O-CG1 3.5Å; S63-I67 PolarHBondContact O-N 2.84Å; W65-I67 VanDerWaalsContact C-N 3.35Å; W65-I67 PolarHBondContact O-N 3.02Å; I67-R69 PolarHBondContact O-N 2.91Å; I67-L70 HydrophobicContact CB-CB 4.45Å; I67-L70 HydrophobicContact CB-CD1 4.24Å; I67-L70 HydrophobicContact CD1-CD1 4.21Å; I67-L70 HydrophobicContact CG2-CB 4.12Å; I67-L70 HydrophobicContact CG2-CD1 3.79Å; I67-L70 HydrophobicContact CG2-CG 3.81Å; I67-L70 PolarHBondContact O-N 2.93Å; I67-Y71 PolarHBondContact O-N 3.12Å; I67-Y71 VanDerWaalsContact O-N 3.12Å
68G69.4Low65.4Low42 Ų42100.7 Ų100.743%0.43346%0.457SS..Hα-helixtrans-51.5-29-172.800000115R66 R72R66-G68 VanDerWaalsContact C-N 3.33Å; R66-G68 PolarHBondContact O-N 2.93Å; R66-G68 VanDerWaalsContact O-N 3.13Å; G68-R72 WeakPolarHBondContact O-CB 3.46Å; G68-R72 PolarHBondContact O-N 2.89Å
69R71.8Confident66.4Low221 Ų22194.5 Ų94.583%0.83444%0.436SS*.Hα-helixtrans-67.1-41.4175-172.4175.4178.4168.7-0.3112.9I67 F73I67-R69 PolarHBondContact O-N 2.91Å; R69-F73 WeakPolarHBondContact O-CB 3.23Å; R69-F73 PolarHBondContact O-N 2.8Å
70L68.5Low67.5Low81 Ų8187.8 Ų87.842%0.42441%0.405SS..Hα-helixtrans-71.6-45.1176.2-70.2176.1000110.2F64 I67 R72 F73 F74F64-L70 HydrophobicContact CD2-CB 4.4Å; F64-L70 HydrophobicContact CE2-CB 4.13Å; I67-L70 HydrophobicContact CB-CB 4.45Å; I67-L70 HydrophobicContact CB-CD1 4.24Å; I67-L70 HydrophobicContact CD1-CD1 4.21Å; I67-L70 HydrophobicContact CG2-CB 4.12Å; I67-L70 HydrophobicContact CG2-CD1 3.79Å; I67-L70 HydrophobicContact CG2-CG 3.81Å; I67-L70 PolarHBondContact O-N 2.93Å; L70-R72 VanDerWaalsContact C-N 3.3Å; L70-R72 PolarHBondContact O-N 3.26Å; L70-F73 WeakPolarHBondContact O-CB 3.09Å; L70-F73 PolarHBondContact O-N 2.93Å; L70-F73 VanDerWaalsContact O-N 3.13Å; L70-F74 HydrophobicContact CD2-CE2 4.48Å; L70-F74 VanDerWaalsContact O-CD2 3.23Å; L70-F74 WeakPolarHBondContact O-CD2 3.34Å; L70-F74 PolarHBondContact O-N 3.14Å; L70-F74 VanDerWaalsContact O-N 3.1Å
71Y69Low68.5Low84 Ų8484.3 Ų84.333%0.32939%0.394SS..Hα-helixtrans-52.1-50.6173173.5-103.9000111.7F64 W65 I67 F73 F74 S75F64-Y71 HydrophobicContact CD1-CD2 4.08Å; F64-Y71 AromaticContact CE1-CD2 3.72Å; F64-Y71 HydrophobicContact CE1-CD2 3.72Å; F64-Y71 HydrophobicContact CE1-CG 4.45Å; F64-Y71 WeakPolarHBondContact O-CB 3.4Å; W65-Y71 HydrophobicContact CD2-CD2 4.02Å; W65-Y71 HydrophobicContact CD2-CE2 4.05Å; W65-Y71 HydrophobicContact CE3-CD1 4.42Å; W65-Y71 AromaticContact CE3-CD2 3.61Å; W65-Y71 HydrophobicContact CE3-CD2 3.61Å; W65-Y71 HydrophobicContact CE3-CE1 4.26Å; W65-Y71 AromaticContact CE3-CE2 3.45Å; W65-Y71 HydrophobicContact CE3-CE2 3.45Å; W65-Y71 VanDerWaalsContact CE3-CE2 3.45Å; W65-Y71 HydrophobicContact CE3-CG 4.12Å; W65-Y71 AromaticContact CE3-CZ 3.79Å; W65-Y71 HydrophobicContact CH2-CD2 4.16Å; W65-Y71 AromaticContact CH2-CE2 3.23Å; W65-Y71 HydrophobicContact CH2-CE2 3.23Å; W65-Y71 AromaticContact CH2-CZ 3.51Å; W65-Y71 WeakPolarHBondContact CH2-OH 3.43Å; W65-Y71 AromaticContact CZ2-CE2 3.83Å; W65-Y71 HydrophobicContact CZ2-CE2 3.83Å; W65-Y71 HydrophobicContact CZ3-CD1 4.43Å; W65-Y71 AromaticContact CZ3-CD2 3.74Å; W65-Y71 HydrophobicContact CZ3-CD2 3.74Å; W65-Y71 AromaticContact CZ3-CE1 3.83Å; W65-Y71 HydrophobicContact CZ3-CE1 3.83Å; W65-Y71 AromaticContact CZ3-CE2 3.04Å; W65-Y71 HydrophobicContact CZ3-CE2 3.04Å; W65-Y71 HydrophobicContact CZ3-CG 4.39Å; W65-Y71 AromaticContact CZ3-CZ 3.08Å; W65-Y71 WeakPolarHBondContact CZ3-OH 3.3Å; I67-Y71 PolarHBondContact O-N 3.12Å; I67-Y71 VanDerWaalsContact O-N 3.12Å; Y71-F73 PolarHBondContact O-N 2.76Å; Y71-F74 PolarHBondContact O-N 2.79Å; Y71-S75 VanDerWaalsContact CE2-OG 3.25Å; Y71-S75 WeakPolarHBondContact CE2-OG 3.45Å; Y71-S75 VanDerWaalsContact O-CB 3.23Å; Y71-S75 WeakPolarHBondContact O-CB 3.33Å; Y71-S75 PolarHBondContact O-N 3.2Å; Y71-S75 PolarHBondContact O-OG 2.86Å
72R70.3Confident69.7Low180 Ų18083.9 Ų83.968%0.67939%0.392SS*.Hα-helixtrans-60.1-43.8177.7-172.3173-176.1174.51.2112G68 L70 S75 I76G68-R72 WeakPolarHBondContact O-CB 3.46Å; G68-R72 PolarHBondContact O-N 2.89Å; L70-R72 VanDerWaalsContact C-N 3.3Å; L70-R72 PolarHBondContact O-N 3.26Å; R72-S75 PolarHBondContact O-N 3.1Å; R72-I76 HydrophobicContact CG-CD1 3.85Å; R72-I76 HydrophobicContact CG-CG1 4.45Å; R72-I76 WeakPolarHBondContact O-CB 3.43Å; R72-I76 WeakPolarHBondContact O-CD1 3.35Å; R72-I76 WeakPolarHBondContact O-CG1 3.32Å; R72-I76 PolarHBondContact O-N 3.26Å
73F71.6Confident71Confident116 Ų11679.9 Ų79.951%0.50938%0.375SS..Hα-helixtrans-57-51.5178.8176.9-99000112.4P35 R69 L70 Y71 G77P35-F73 HydrophobicContact CG-CE1 4.44Å; P35-F73 HydrophobicContact CG-CZ 4.39Å; R69-F73 WeakPolarHBondContact O-CB 3.23Å; R69-F73 PolarHBondContact O-N 2.8Å; L70-F73 WeakPolarHBondContact O-CB 3.09Å; L70-F73 PolarHBondContact O-N 2.93Å; L70-F73 VanDerWaalsContact O-N 3.13Å; Y71-F73 PolarHBondContact O-N 2.76Å; F73-G77 PolarHBondContact O-N 3.16Å
74F67.9Low72.1Confident29 Ų2982 Ų8213%0.12738%0.375CS..Hα-helixtrans-79.6-23.9-180-58.6-82.1000113.5R54 F64 L70 Y71 I76 G77 R78 C79R54-F74 VanDerWaalsContact NH2-CE1 3.29Å; F64-F74 AromaticContact CE2-CD2 3.23Å; F64-F74 HydrophobicContact CE2-CD2 3.23Å; F64-F74 AromaticContact CE2-CE2 3.7Å; F64-F74 HydrophobicContact CE2-CE2 3.7Å; F64-F74 HydrophobicContact CE2-CG 4.15Å; F64-F74 HydrophobicContact CZ-CB 3.79Å; F64-F74 AromaticContact CZ-CD2 3.35Å; F64-F74 HydrophobicContact CZ-CD2 3.35Å; F64-F74 HydrophobicContact CZ-CE2 4.28Å; F64-F74 AromaticContact CZ-CG 3.9Å; F64-F74 HydrophobicContact CZ-CG 3.9Å; L70-F74 HydrophobicContact CD2-CE2 4.48Å; L70-F74 VanDerWaalsContact O-CD2 3.23Å; L70-F74 WeakPolarHBondContact O-CD2 3.34Å; L70-F74 PolarHBondContact O-N 3.14Å; L70-F74 VanDerWaalsContact O-N 3.1Å; Y71-F74 PolarHBondContact O-N 2.79Å; F74-I76 VanDerWaalsContact C-N 3.34Å; F74-G77 CarbonylContact O-C 3.57Å; F74-G77 VanDerWaalsContact O-C 3.28Å; F74-G77 VanDerWaalsContact O-CA 3.31Å; F74-G77 WeakPolarHBondContact O-CA 3.41Å; F74-G77 PolarHBondContact O-N 3.08Å; F74-G77 VanDerWaalsContact O-N 3.1Å; F74-R78 PolarHBondContact O-N 3.11Å; F74-C79 HydrophobicContact CB-CB 3.63Å; F74-C79 WeakPolarHBondContact O-CB 3.48Å; F74-C79 PolarHBondContact O-N 3.39Å
75S71.1Confident73.2Confident46 Ų4684.3 Ų84.332%0.32241%0.407SS..Hα-helixtrans-65.3-40.4172.2-600000111.1Y71 R72 G77 R78Y71-S75 VanDerWaalsContact CE2-OG 3.25Å; Y71-S75 WeakPolarHBondContact CE2-OG 3.45Å; Y71-S75 VanDerWaalsContact O-CB 3.23Å; Y71-S75 WeakPolarHBondContact O-CB 3.33Å; Y71-S75 PolarHBondContact O-N 3.2Å; Y71-S75 PolarHBondContact O-OG 2.86Å; R72-S75 PolarHBondContact O-N 3.1Å; S75-G77 PolarHBondContact O-N 2.92Å; S75-R78 PolarHBondContact O-N 2.73Å
76I72.9Confident74.5Confident116 Ų11684.1 Ų84.160%0.59541%0.413SS*.Hα-helixtrans-61.5-36170.2-68164.2000110.5R72 F74 R78R72-I76 HydrophobicContact CG-CD1 3.85Å; R72-I76 HydrophobicContact CG-CG1 4.45Å; R72-I76 WeakPolarHBondContact O-CB 3.43Å; R72-I76 WeakPolarHBondContact O-CD1 3.35Å; R72-I76 WeakPolarHBondContact O-CG1 3.32Å; R72-I76 PolarHBondContact O-N 3.26Å; F74-I76 VanDerWaalsContact C-N 3.34Å; I76-R78 PolarHBondContact O-N 3.35Å
77G68.3Low75.8Confident24 Ų2476.7 Ų76.725%0.24740%0.401CS..THydrogen-bonded Turntrans-72.26.8172.100000115.8Y46 F73 F74 S75 C79Y46-G77 WeakPolarHBondContact OH-CA 3.5Å; F73-G77 PolarHBondContact O-N 3.16Å; F74-G77 CarbonylContact O-C 3.57Å; F74-G77 VanDerWaalsContact O-C 3.28Å; F74-G77 VanDerWaalsContact O-CA 3.31Å; F74-G77 WeakPolarHBondContact O-CA 3.41Å; F74-G77 PolarHBondContact O-N 3.08Å; F74-G77 VanDerWaalsContact O-N 3.1Å; S75-G77 PolarHBondContact O-N 2.92Å; G77-C79 PolarHBondContact O-N 2.9Å
78R76.8Confident77.1Confident115 Ų11574.7 Ų74.743%0.43439%0.393SS..THydrogen-bonded Turntrans5237.1-176.2-62.9-178.1175173.4-3113.2V50 F51 C52 F74 S75 I76V50-R78 WeakPolarHBondContact O-CB 3.42Å; F51-R78 WeakPolarHBondContact CA-O 3.32Å; F51-R78 HydrophobicContact CD1-CB 3.98Å; F51-R78 WeakPolarHBondContact CD1-O 3.28Å; F51-R78 HydrophobicContact CE1-CB 4.17Å; C52-R78 PolarHBondContact N-O 2.77Å; F74-R78 PolarHBondContact O-N 3.11Å; S75-R78 PolarHBondContact O-N 2.73Å; I76-R78 PolarHBondContact O-N 3.35Å
79C78.8Confident78.2Confident23 Ų2380.4 Ų80.416%0.15540%0.403CS..EExtended strand (participates in β ladder)trans-79.9128.5179.4-1710000111.3C52 R54 F74 G77C52-C79 CarbonylContact O-C 3.28Å; C52-C79 VanDerWaalsContact O-CA 3.24Å; C52-C79 WeakPolarHBondContact O-CA 3.18Å; C52-C79 PolarHBondContact O-SG 3.33Å; R54-C79 VanDerWaalsContact CB-SG 3.54Å; R54-C79 WeakPolarHBondContact CD-SG 3.49Å; R54-C79 WeakPolarHBondContact CG-SG 3.38Å; F74-C79 HydrophobicContact CB-CB 3.63Å; F74-C79 WeakPolarHBondContact O-CB 3.48Å; F74-C79 PolarHBondContact O-N 3.39Å; G77-C79 PolarHBondContact O-N 2.9Å
80I81.7Confident79.1Confident5 Ų571.2 Ų71.23%0.02637%0.369CS..EExtended strand (participates in β ladder)trans-97.4115.5177-59.7177.7000108.5F51 C52 R54 G92 R95 C96F51-I80 HydrophobicContact CB-CD1 3.69Å; F51-I80 HydrophobicContact CB-CG1 4.2Å; F51-I80 HydrophobicContact CD1-CD1 3.6Å; F51-I80 HydrophobicContact CD1-CG1 3.75Å; F51-I80 HydrophobicContact CE1-CD1 4.48Å; F51-I80 HydrophobicContact CG-CD1 3.89Å; F51-I80 HydrophobicContact CG-CG1 4.39Å; C52-I80 PolarHBondContact O-N 3.02Å; R54-I80 PolarHBondContact N-O 3.43Å; I80-G92 WeakPolarHBondContact CG2-O 3.31Å; I80-R95 HydrophobicContact CD1-CB 4.01Å; I80-C96 VanDerWaalsContact CD1-SG 3.56Å
81P81.9Confident80.1Confident42 Ų4273.3 Ų73.327%0.27338%0.379SS..EExtended strand (participates in β ladder)trans-75.7133.2176.230.7-33.1000110.7L56L56-P81 HydrophobicContact CD1-CB 4.41Å
82I84.7Confident81Confident16 Ų1669.5 Ų69.58%0.08237%0.366CS..EExtended strand (participates in β ladder)trans-121.9136.6170.6-64.7-171.9000108.9V53 R54 T55 L56 Q90 V93V53-I82 HydrophobicContact CG1-CB 4.46Å; V53-I82 HydrophobicContact CG1-CD1 3.14Å; V53-I82 HydrophobicContact CG1-CG1 3.74Å; R54-I82 PolarHBondContact O-N 2.85Å; T55-I82 CarbonylContact C-O 3.52Å; T55-I82 VanDerWaalsContact CA-O 3.31Å; T55-I82 WeakPolarHBondContact CA-O 3.45Å; T55-I82 HydrophobicContact CG2-CB 4.2Å; T55-I82 HydrophobicContact CG2-CG2 3.93Å; L56-I82 PolarHBondContact N-O 2.74Å; I82-Q90 VanDerWaalsContact CG2-NE2 3.33Å; I82-V93 HydrophobicContact CD1-CG2 3.47Å; I82-V93 VanDerWaalsContact CD1-CG2 3.47Å; I82-V93 HydrophobicContact CG1-CG2 4.4Å
83V83.9Confident82Confident29 Ų2961.2 Ų61.218%0.17634%0.335CS..EExtended strand (participates in β ladder)trans-83.9125178.4-170.70000109.5L56 Y58 I61 G85 M86 Q90L56-V83 WeakPolarHBondContact O-CA 3.29Å; Y58-V83 HydrophobicContact CD2-CG1 4.14Å; I61-V83 HydrophobicContact CD1-CB 3.87Å; I61-V83 HydrophobicContact CD1-CG1 4.22Å; I61-V83 HydrophobicContact CD1-CG2 3.27Å; V83-G85 PolarHBondContact O-N 2.83Å; V83-M86 HydrophobicContact CB-CB 4.14Å; V83-M86 HydrophobicContact CB-CG 3.63Å; V83-M86 HydrophobicContact CG1-CB 4.46Å; V83-M86 HydrophobicContact CG1-CG 3.51Å; V83-M86 HydrophobicContact CG2-CG 4.34Å; V83-Q90 PolarHBondContact O-NE2 3.39Å; V83-Q90 PolarHBondContact O-OE1 2.93Å
84R82.9Confident83Confident99 Ų9958.5 Ų58.537%0.37433%0.326SS..THydrogen-bonded Turntrans-64.5127.9170.6-64.5-174.8-44.2122.9-1.7109.9T55 L56 S57 G112T55-R84 HydrophobicContact CG2-CB 4.28Å; T55-R84 HydrophobicContact CG2-CG 3.29Å; L56-R84 PolarHBondContact O-N 3.19Å; S57-R84 PolarHBondContact OG-NE 3.36Å; S57-R84 PolarHBondContact OG-NH2 2.89Å; R84-G112 WeakPolarHBondContact CD-O 3.42Å; R84-G112 WeakPolarHBondContact CG-O 3.37Å
85G83.8Confident84.1Confident77 Ų7763.8 Ų63.879%0.79435%0.345SS*.THydrogen-bonded Turntrans98.1-11.9173.900000115.1V83 G87V83-G85 PolarHBondContact O-N 2.83Å; G85-G87 PolarHBondContact O-N 3.13Å
86M84.9Confident85.1Confident125 Ų12561.6 Ų61.662%0.61633%0.33SS*.SBendtrans-85.518.6-179.3-65.5-61-63.200114.1V83 Q90V83-M86 HydrophobicContact CB-CB 4.14Å; V83-M86 HydrophobicContact CB-CG 3.63Å; V83-M86 HydrophobicContact CG1-CB 4.46Å; V83-M86 HydrophobicContact CG1-CG 3.51Å; V83-M86 HydrophobicContact CG2-CG 4.34Å; M86-Q90 HydrophobicContact CB-CG 4.13Å
87G87.8Confident86Confident54 Ų5457.2 Ų57.256%0.55731%0.308SS*.  trans73.2-170.2-175.500000114.1G85 Q90G85-G87 PolarHBondContact O-N 3.13Å; G87-Q90 PolarHBondContact O-NE2 3.33Å
88V90.4Very high87.2Confident45 Ų4560.6 Ų60.627%0.27332%0.32SS..SBendtrans-91.2-17.9179.9-65.30000113.2Q90 V93 W125 R129V88-Q90 PolarHBondContact O-N 3.37Å; V88-V93 WeakPolarHBondContact O-CB 3.37Å; V88-V93 WeakPolarHBondContact O-CG2 3.41Å; V88-W125 HydrophobicContact CG1-CB 4.27Å; V88-R129 HydrophobicContact CB-CB 4.45Å; V88-R129 PolarHBondContact O-NH1 3.44Å
89Y92.3Very high87.9Confident162 Ų16255.9 Ų55.964%0.63530%0.304SS*.  trans-87.290.9177.3-65.6-73000109.9R129 E133Y89-R129 VanDerWaalsContact CE1-NE 3.29Å; Y89-E133 WeakPolarHBondContact CE1-OE1 2.84Å; Y89-E133 PolarHBondContact OH-OE1 2.88Å
90Q90.8Very high88.6Confident27 Ų2754.8 Ų54.813%0.12630%0.297CS..  trans-142.2147179.8-62.3-176.656.600109I82 V83 M86 G87 V88 G92 V93 D94I82-Q90 VanDerWaalsContact CG2-NE2 3.33Å; V83-Q90 PolarHBondContact O-NE2 3.39Å; V83-Q90 PolarHBondContact O-OE1 2.93Å; M86-Q90 HydrophobicContact CB-CG 4.13Å; G87-Q90 PolarHBondContact O-NE2 3.33Å; V88-Q90 PolarHBondContact O-N 3.37Å; Q90-G92 PolarHBondContact O-N 3.49Å; Q90-V93 HydrophobicContact CB-CG2 4.42Å; Q90-V93 WeakPolarHBondContact O-CA 3.5Å; Q90-V93 WeakPolarHBondContact O-CB 3.49Å; Q90-V93 PolarHBondContact O-N 2.69Å; Q90-D94 PolarHBondContact O-N 3.24Å
91I89.9Confident89.2Confident125 Ų12557.4 Ų57.464%0.64131%0.31SS*.Hα-helixtrans-53.2-30.2178.4-161.9166.4000113.4R95I91-R95 WeakPolarHBondContact O-CG 3.44Å; I91-R95 PolarHBondContact O-N 2.75Å
92G88.4Confident89.7Confident4 Ų461.6 Ų61.64%0.04133%0.331CS..Hα-helixtrans-66.8-43.6174.300000112.7I80 Q90 D94 R95 C96I80-G92 WeakPolarHBondContact CG2-O 3.31Å; Q90-G92 PolarHBondContact O-N 3.49Å; G92-D94 VanDerWaalsContact C-N 3.33Å; G92-R95 PolarHBondContact O-N 3.39Å; G92-C96 PolarHBondContact O-N 2.73Å; G92-C96 PolarHBondContact O-SG 2.8Å
93V90.8Very high90Very high6 Ų664.9 Ų64.94%0.03635%0.348CS..Hα-helixtrans-67.3-38.6176.3-176.90000110.5I82 V88 Q90 R95 C96 L97 R129 L130I82-V93 HydrophobicContact CD1-CG2 3.47Å; I82-V93 VanDerWaalsContact CD1-CG2 3.47Å; I82-V93 HydrophobicContact CG1-CG2 4.4Å; V88-V93 WeakPolarHBondContact O-CB 3.37Å; V88-V93 WeakPolarHBondContact O-CG2 3.41Å; Q90-V93 HydrophobicContact CB-CG2 4.42Å; Q90-V93 WeakPolarHBondContact O-CA 3.5Å; Q90-V93 WeakPolarHBondContact O-CB 3.49Å; Q90-V93 PolarHBondContact O-N 2.69Å; V93-R95 VanDerWaalsContact C-N 3.32Å; V93-R95 PolarHBondContact O-N 3.37Å; V93-C96 WeakPolarHBondContact O-CA 3.41Å; V93-C96 VanDerWaalsContact O-CB 3.28Å; V93-C96 WeakPolarHBondContact O-CB 3.24Å; V93-C96 PolarHBondContact O-N 2.92Å; V93-L97 PolarHBondContact O-N 3.15Å; V93-R129 VanDerWaalsContact CG1-NH1 3.31Å; V93-L130 HydrophobicContact CG1-CD2 3.86Å; V93-L130 HydrophobicContact CG1-CG 4.24Å
94D92.7Very high90.3Very high60 Ų6064 Ų6432%0.32135%0.345SS..Hα-helixtrans-63.1-40.1178.2-53.7-25.7000110.9Q90 G92 C96 L97 D98 R129Q90-D94 PolarHBondContact O-N 3.24Å; G92-D94 VanDerWaalsContact C-N 3.33Å; D94-C96 VanDerWaalsContact C-N 3.31Å; D94-C96 PolarHBondContact O-N 3.1Å; D94-L97 WeakPolarHBondContact O-CA 3.35Å; D94-L97 VanDerWaalsContact O-CB 3.26Å; D94-L97 WeakPolarHBondContact O-CB 3.28Å; D94-L97 PolarHBondContact O-N 2.94Å; D94-D98 PolarHBondContact O-N 3.5Å; D94-R129 IonicContact OD1-CZ 3.99Å; D94-R129 VanDerWaalsContact OD1-CZ 3.22Å; D94-R129 IonicContact OD1-NH1 3.22Å; D94-R129 PolarHBondContact OD1-NH1 3.29Å; D94-R129 IonicContact OD1-NH2 2.81Å; D94-R129 PolarHBondContact OD1-NH2 3.09Å
95R91.1Very high90.6Very high140 Ų14059.5 Ų59.553%0.52833%0.328SS..Hα-helixtrans-61.1-37170.9-75.1178.2-177.2-1760.6113.1I80 I91 G92 V93 L97 D98 V99I80-R95 HydrophobicContact CD1-CB 4.01Å; I91-R95 WeakPolarHBondContact O-CG 3.44Å; I91-R95 PolarHBondContact O-N 2.75Å; G92-R95 PolarHBondContact O-N 3.39Å; V93-R95 VanDerWaalsContact C-N 3.32Å; V93-R95 PolarHBondContact O-N 3.37Å; R95-L97 VanDerWaalsContact C-N 3.27Å; R95-D98 PolarHBondContact O-N 3.43Å; R95-V99 VanDerWaalsContact O-CG2 3.26Å; R95-V99 WeakPolarHBondContact O-CG2 3.42Å; R95-V99 PolarHBondContact O-N 2.92Å; R95-V99 VanDerWaalsContact O-N 3.12Å
96C91.6Very high91Very high0 Ų055.9 Ų55.90%029%0.29CS..Hα-helixtrans-64.2-37.8173.8-62.30000111.3V53 I80 G92 V93 D94 V99 L100 V106 L130V53-C96 WeakPolarHBondContact CG2-SG 3.26Å; I80-C96 VanDerWaalsContact CD1-SG 3.56Å; G92-C96 PolarHBondContact O-N 2.73Å; G92-C96 PolarHBondContact O-SG 2.8Å; V93-C96 WeakPolarHBondContact O-CA 3.41Å; V93-C96 VanDerWaalsContact O-CB 3.28Å; V93-C96 WeakPolarHBondContact O-CB 3.24Å; V93-C96 PolarHBondContact O-N 2.92Å; D94-C96 VanDerWaalsContact C-N 3.31Å; D94-C96 PolarHBondContact O-N 3.1Å; C96-V99 WeakPolarHBondContact O-CB 3.41Å; C96-V99 PolarHBondContact O-N 2.95Å; C96-L100 WeakPolarHBondContact O-CG 3.3Å; C96-L100 PolarHBondContact O-N 3.19Å; C96-V106 HydrophobicContact CB-CG1 4.08Å; C96-V106 HydrophobicContact CB-CG2 4.15Å; C96-L130 HydrophobicContact CB-CD1 4.05Å; C96-L130 HydrophobicContact CB-CD2 3.72Å
97L93.5Very high91.3Very high24 Ų2449.9 Ų49.913%0.12626%0.261CS..Hα-helixtrans-63.3-43.8175.9-171.163.3000111.2V93 D94 R95 V99 L100 N101 L130 E133 A134V93-L97 PolarHBondContact O-N 3.15Å; D94-L97 WeakPolarHBondContact O-CA 3.35Å; D94-L97 VanDerWaalsContact O-CB 3.26Å; D94-L97 WeakPolarHBondContact O-CB 3.28Å; D94-L97 PolarHBondContact O-N 2.94Å; R95-L97 VanDerWaalsContact C-N 3.27Å; L97-V99 VanDerWaalsContact C-N 3.28Å; L97-V99 PolarHBondContact O-N 3.23Å; L97-L100 PolarHBondContact O-N 2.91Å; L97-N101 WeakPolarHBondContact O-CB 3.23Å; L97-N101 VanDerWaalsContact O-CG 3.28Å; L97-N101 PolarHBondContact O-N 3.39Å; L97-N101 PolarHBondContact O-ND2 2.82Å; L97-L130 HydrophobicContact CB-CD2 4.13Å; L97-L130 HydrophobicContact CD1-CD2 4.47Å; L97-E133 HydrophobicContact CD1-CB 4.03Å; L97-E133 HydrophobicContact CD2-CB 3.92Å; L97-A134 HydrophobicContact CD1-CB 4.05Å
98D92.9Very high91.4Very high95 Ų9547.9 Ų47.951%0.50824%0.237SC..Hα-helixtrans-57.3-42.5174.4-66.1-28.2000111.8D94 R95 N101 N102D94-D98 PolarHBondContact O-N 3.5Å; R95-D98 PolarHBondContact O-N 3.43Å; D98-N101 PolarHBondContact O-N 2.75Å; D98-N102 PolarHBondContact O-N 3.42Å; D98-N102 VanDerWaalsContact O-N 3.16Å; D98-N102 PolarHBondContact O-ND2 2.99Å
99V90.9Very high91.4Very high15 Ų1545.9 Ų45.99%0.09123%0.225CC..Hα-helixtrans-61.6-47.7177.3171.90000110.9I49 F51 R95 C96 L97 N102 G104 V106I49-V99 HydrophobicContact CG2-CG1 4.36Å; F51-V99 HydrophobicContact CD1-CG2 4.46Å; F51-V99 HydrophobicContact CD2-CB 4.04Å; F51-V99 HydrophobicContact CD2-CG1 3.64Å; F51-V99 HydrophobicContact CD2-CG2 3.2Å; F51-V99 HydrophobicContact CE1-CG2 4.5Å; F51-V99 HydrophobicContact CE2-CB 4.32Å; F51-V99 HydrophobicContact CE2-CG1 4.11Å; F51-V99 HydrophobicContact CE2-CG2 3.23Å; F51-V99 HydrophobicContact CG-CG2 3.84Å; F51-V99 HydrophobicContact CZ-CG2 3.93Å; R95-V99 VanDerWaalsContact O-CG2 3.26Å; R95-V99 WeakPolarHBondContact O-CG2 3.42Å; R95-V99 PolarHBondContact O-N 2.92Å; R95-V99 VanDerWaalsContact O-N 3.12Å; C96-V99 WeakPolarHBondContact O-CB 3.41Å; C96-V99 PolarHBondContact O-N 2.95Å; L97-V99 VanDerWaalsContact C-N 3.28Å; L97-V99 PolarHBondContact O-N 3.23Å; V99-N102 CarbonylContact O-C 3.53Å; V99-N102 PolarHBondContact O-N 3.46Å; V99-G104 VanDerWaalsContact O-CA 3.25Å; V99-G104 WeakPolarHBondContact O-CA 3.29Å; V99-G104 PolarHBondContact O-N 3.23Å; V99-V106 HydrophobicContact CB-CG2 3.96Å; V99-V106 HydrophobicContact CG1-CG2 3.68Å
100L93.3Very high91.4Very high1 Ų138.9 Ų38.91%0.00520%0.199CC..Hα-helixtrans-65.2-40.5179.4-65.9170.2000111.4P21 L22 I23 C96 L97 N102 N103 V106 L130 P138P21-L100 HydrophobicContact CB-CB 4.26Å; P21-L100 HydrophobicContact CB-CD2 4.1Å; P21-L100 WeakPolarHBondContact CB-O 3.16Å; L22-L100 WeakPolarHBondContact O-CD2 3.26Å; I23-L100 HydrophobicContact CD1-CD1 3.81Å; I23-L100 HydrophobicContact CD1-CD2 4.49Å; I23-L100 HydrophobicContact CG1-CD1 3.91Å; I23-L100 HydrophobicContact CG1-CD2 3.73Å; I23-L100 HydrophobicContact CG1-CG 4.49Å; C96-L100 WeakPolarHBondContact O-CG 3.3Å; C96-L100 PolarHBondContact O-N 3.19Å; L97-L100 PolarHBondContact O-N 2.91Å; L100-N102 PolarHBondContact O-N 3.35Å; L100-N102 VanDerWaalsContact O-N 3.16Å; L100-N103 PolarHBondContact O-N 3.48Å; L100-V106 HydrophobicContact CD2-CB 4.37Å; L100-V106 HydrophobicContact CD2-CG2 3.94Å; L100-V106 HydrophobicContact CG-CG2 3.9Å; L100-L130 HydrophobicContact CD1-CB 3.86Å; L100-L130 HydrophobicContact CD1-CD1 4.36Å; L100-L130 HydrophobicContact CD1-CD2 4.1Å; L100-L130 HydrophobicContact CD1-CG 4.33Å; L100-P138 HydrophobicContact CD2-CB 4.31Å
101N94.3Very high91.3Very high59 Ų5938.3 Ų38.332%0.31620%0.197SC..Hα-helixtrans-64.9-19177.1-72.1-17.4000113.1L97 D98 T135L97-N101 WeakPolarHBondContact O-CB 3.23Å; L97-N101 VanDerWaalsContact O-CG 3.28Å; L97-N101 PolarHBondContact O-N 3.39Å; L97-N101 PolarHBondContact O-ND2 2.82Å; D98-N101 PolarHBondContact O-N 2.75Å; N101-T135 PolarHBondContact OD1-N 3.12Å; N101-T135 PolarHBondContact OD1-OG1 3.1Å
102N92.4Very high91.1Very high131 Ų13132.5 Ų32.570%0.70117%0.167SC*.THydrogen-bonded Turntrans-97.424.7171.5-72-75.5000113.2D98 V99 L100 G104D98-N102 PolarHBondContact O-N 3.42Å; D98-N102 VanDerWaalsContact O-N 3.16Å; D98-N102 PolarHBondContact O-ND2 2.99Å; V99-N102 CarbonylContact O-C 3.53Å; V99-N102 PolarHBondContact O-N 3.46Å; L100-N102 PolarHBondContact O-N 3.35Å; L100-N102 VanDerWaalsContact O-N 3.16Å; N102-G104 PolarHBondContact O-N 3.1Å
103N91.2Very high90.9Very high85 Ų8538.2 Ų38.246%0.45519%0.188SC..THydrogen-bonded Turntrans56.426.9-176.7-60.5-54.6000113.8G19 L100G19-N103 WeakPolarHBondContact O-CB 3.49Å; L100-N103 PolarHBondContact O-N 3.48Å
104G90Very high90.7Very high10 Ų1038.8 Ų38.810%0.10319%0.191CC..  trans-81.3-175.7179.400000113.2L22 V99 N102L22-G104 PolarHBondContact N-O 2.92Å; L22-G104 VanDerWaalsContact N-O 3.14Å; V99-G104 VanDerWaalsContact O-CA 3.25Å; V99-G104 WeakPolarHBondContact O-CA 3.29Å; V99-G104 PolarHBondContact O-N 3.23Å; N102-G104 PolarHBondContact O-N 3.1Å
105W90.4Very high90.4Very high5 Ų536 Ų362%0.01918%0.177CC..EExtended strand (participates in β ladder)trans-123.7127.4-178.9169.925.9000111.2L12 L16 L22 T24 W38 V45 S48 I49 V50 F51L12-W105 HydrophobicContact CD1-CH2 4.26Å; L12-W105 HydrophobicContact CD1-CZ2 4.13Å; L12-W105 HydrophobicContact CD2-CH2 4.42Å; L16-W105 HydrophobicContact CD1-CZ3 4.27Å; L16-W105 HydrophobicContact CD2-CD2 4.14Å; L16-W105 HydrophobicContact CD2-CE3 3.59Å; L16-W105 HydrophobicContact CD2-CZ3 4.01Å; L22-W105 HydrophobicContact CB-CB 4.25Å; L22-W105 HydrophobicContact CB-CG 4.24Å; L22-W105 HydrophobicContact CD2-CD2 4.13Å; L22-W105 HydrophobicContact CD2-CG 3.96Å; L22-W105 HydrophobicContact CG-CG 4.19Å; L22-W105 WeakPolarHBondContact O-CA 3.18Å; T24-W105 HydrophobicContact CG2-CZ2 3.97Å; T24-W105 VanDerWaalsContact CG2-NE1 3.26Å; T24-W105 PolarHBondContact OG1-NE1 3.17Å; W38-W105 HydrophobicContact CD2-CH2 4.37Å; W38-W105 AromaticContact CE3-CH2 3.81Å; W38-W105 HydrophobicContact CE3-CH2 3.81Å; W38-W105 HydrophobicContact CE3-CZ2 4.25Å; W38-W105 AromaticContact CH2-CH2 3.67Å; W38-W105 HydrophobicContact CH2-CH2 3.67Å; W38-W105 AromaticContact CH2-CZ2 3.34Å; W38-W105 HydrophobicContact CH2-CZ2 3.34Å; W38-W105 HydrophobicContact CZ2-CH2 4.21Å; W38-W105 AromaticContact CZ2-CZ2 3.66Å; W38-W105 HydrophobicContact CZ2-CZ2 3.66Å; W38-W105 AromaticContact CZ3-CH2 3.44Å; W38-W105 HydrophobicContact CZ3-CH2 3.44Å; W38-W105 VanDerWaalsContact CZ3-CH2 3.44Å; W38-W105 AromaticContact CZ3-CZ2 3.67Å; W38-W105 HydrophobicContact CZ3-CZ2 3.67Å; V45-W105 HydrophobicContact CG1-CH2 3.86Å; V45-W105 HydrophobicContact CG1-CZ3 3.66Å; V45-W105 WeakPolarHBondContact O-CZ3 3.23Å; S48-W105 VanDerWaalsContact O-CE3 3.3Å; I49-W105 CarbonylContact O-C 3.58Å; I49-W105 WeakPolarHBondContact O-CA 3.43Å; I49-W105 WeakPolarHBondContact O-CB 3.44Å; I49-W105 PolarHBondContact O-N 3.1Å; V50-W105 HydrophobicContact CG2-CD2 3.87Å; V50-W105 HydrophobicContact CG2-CE3 3.43Å; V50-W105 VanDerWaalsContact CG2-CE3 3.43Å; V50-W105 HydrophobicContact CG2-CH2 3.69Å; V50-W105 HydrophobicContact CG2-CZ2 4.09Å; V50-W105 HydrophobicContact CG2-CZ3 3.34Å; F51-W105 PolarHBondContact N-O 2.79Å; F51-W105 VanDerWaalsContact N-O 3.12Å
106V91.1Very high90.1Very high0 Ų037.3 Ų37.30%019%0.186CC..EExtended strand (participates in β ladder)trans-115.7133.3175.9-175.30000110L22 I23 T24 V53 C96 V99 L100 I108L22-V106 PolarHBondContact O-N 3.28Å; I23-V106 CarbonylContact C-O 3.59Å; I23-V106 WeakPolarHBondContact CA-O 3.25Å; T24-V106 PolarHBondContact N-O 3.39Å; V53-V106 HydrophobicContact CG2-CG1 3.62Å; C96-V106 HydrophobicContact CB-CG1 4.08Å; C96-V106 HydrophobicContact CB-CG2 4.15Å; V99-V106 HydrophobicContact CB-CG2 3.96Å; V99-V106 HydrophobicContact CG1-CG2 3.68Å; L100-V106 HydrophobicContact CD2-CB 4.37Å; L100-V106 HydrophobicContact CD2-CG2 3.94Å; L100-V106 HydrophobicContact CG-CG2 3.9Å; V106-I108 HydrophobicContact CG1-CD1 3.92Å; V106-I108 HydrophobicContact CG1-CG1 3.71Å
107H90.8Very high89.9Confident0 Ų041.2 Ų41.20%021%0.214CC..EExtended strand (participates in β ladder)trans-106.9128.3172.7-176.257.4000110.6T24 W38 V50 F51 V53 F109T24-H107 WeakPolarHBondContact O-CA 3.43Å; T24-H107 PolarHBondContact O-ND1 3.48Å; T24-H107 WeakPolarHBondContact OG1-CA 3.48Å; T24-H107 WeakPolarHBondContact OG1-CB 3.46Å; T24-H107 PolarHBondContact OG1-ND1 3.23Å; W38-H107 AromaticContact CZ2-CE1 3.98Å; W38-H107 AromaticContact CZ2-ND1 3.88Å; W38-H107 AromaticContact NE1-CD2 3.53Å; W38-H107 AromaticContact NE1-CG 3.87Å; W38-H107 AromaticContact NE1-NE2 3.76Å; V50-H107 HydrophobicContact CG1-CB 4.2Å; F51-H107 PolarHBondContact O-N 3.08Å; V53-H107 PolarHBondContact N-O 3.32Å; H107-F109 AromaticContact CD2-CE2 3.7Å; H107-F109 AromaticContact CD2-CZ 3.71Å; H107-F109 AromaticContact NE2-CE1 3.7Å; H107-F109 AromaticContact NE2-CE2 3.66Å; H107-F109 AromaticContact NE2-CZ 3.16Å; H107-F109 WeakPolarHBondContact NE2-CZ 3.21Å
108I90.8Very high89.5Confident11 Ų1144.6 Ų44.66%0.05623%0.225CC..EExtended strand (participates in β ladder)trans-131.1137.1-172.5-52.9-174.8000110.8I23 T24 V25 S26 V53 V106 P110 V127 L130I23-I108 HydrophobicContact CG2-CD1 4.08Å; I23-I108 HydrophobicContact CG2-CG1 4.35Å; T24-I108 PolarHBondContact O-N 2.88Å; V25-I108 WeakPolarHBondContact CA-O 2.94Å; S26-I108 PolarHBondContact N-O 3.13Å; S26-I108 VanDerWaalsContact N-O 3.08Å; V53-I108 HydrophobicContact CB-CG1 4.06Å; V53-I108 HydrophobicContact CB-CG2 4.46Å; V53-I108 HydrophobicContact CG2-CD1 4.34Å; V53-I108 HydrophobicContact CG2-CG1 3.88Å; V106-I108 HydrophobicContact CG1-CD1 3.92Å; V106-I108 HydrophobicContact CG1-CG1 3.71Å; I108-P110 WeakPolarHBondContact O-CD 3.25Å; I108-V127 HydrophobicContact CB-CG2 4.31Å; I108-V127 HydrophobicContact CD1-CG2 4.19Å; I108-V127 HydrophobicContact CG2-CG2 3.97Å; I108-L130 HydrophobicContact CD1-CD1 3.25Å
109F90.7Very high89.2Confident4 Ų444.4 Ų44.42%0.01823%0.227CC..  trans-96.891.8165.1-63.5-75.2000109.9S26 N27 H28 D33 E34 H107 E111 G112S26-F109 WeakPolarHBondContact O-CD1 3.33Å; N27-F109 VanDerWaalsContact O-CD1 3.29Å; N27-F109 WeakPolarHBondContact O-CD1 3.44Å; N27-F109 VanDerWaalsContact O-CE1 3.23Å; N27-F109 WeakPolarHBondContact O-CE1 3.46Å; H28-F109 HydrophobicContact CB-CB 3.92Å; H28-F109 HydrophobicContact CB-CD1 3.5Å; H28-F109 HydrophobicContact CB-CE1 4.27Å; H28-F109 HydrophobicContact CB-CG 3.84Å; H28-F109 AromaticContact CG-CD1 3.81Å; H28-F109 AromaticContact CG-CG 3.85Å; D33-F109 HydrophobicContact CB-CE1 4.37Å; D33-F109 HydrophobicContact CB-CZ 4.28Å; E34-F109 HydrophobicContact CG-CE2 3.28Å; E34-F109 HydrophobicContact CG-CZ 3.46Å; E34-F109 VanDerWaalsContact CG-CZ 3.46Å; E34-F109 VanDerWaalsContact OE1-CE2 3.26Å; E34-F109 WeakPolarHBondContact OE1-CE2 3.35Å; H107-F109 AromaticContact CD2-CE2 3.7Å; H107-F109 AromaticContact CD2-CZ 3.71Å; H107-F109 AromaticContact NE2-CE1 3.7Å; H107-F109 AromaticContact NE2-CE2 3.66Å; H107-F109 AromaticContact NE2-CZ 3.16Å; H107-F109 WeakPolarHBondContact NE2-CZ 3.21Å; F109-E111 PolarHBondContact O-N 3.38Å; F109-E111 VanDerWaalsContact O-N 3.1Å; F109-G112 PolarHBondContact O-N 3.1Å
110P91.6Very high89Confident15 Ų1549.6 Ų49.610%0.09726%0.261CS..THydrogen-bonded Turntrans-64.7-15.4-175.626.5-36.8000113.5V25 S26 I108 G112 L123 K124 V127V25-P110 HydrophobicContact CB-CG 4.25Å; S26-P110 WeakPolarHBondContact O-CD 3.32Å; I108-P110 WeakPolarHBondContact O-CD 3.25Å; P110-G112 PolarHBondContact O-N 3.2Å; P110-L123 HydrophobicContact CB-CB 4.17Å; P110-L123 HydrophobicContact CB-CD1 4.46Å; P110-L123 HydrophobicContact CB-CD2 4.07Å; P110-L123 HydrophobicContact CB-CG 4.45Å; P110-L123 HydrophobicContact CG-CD1 4.36Å; P110-L123 HydrophobicContact CG-CD2 3.99Å; P110-L123 CarbonylContact O-C 3.54Å; P110-K124 WeakPolarHBondContact O-CB 3.31Å; P110-K124 WeakPolarHBondContact O-CG 3.49Å; P110-K124 PolarHBondContact O-N 2.71Å; P110-V127 HydrophobicContact CB-CG2 4.24Å
111E89.4Confident88.8Confident14 Ų1451.4 Ų51.47%0.06527%0.27CS..THydrogen-bonded Turntrans-58.2-27.1169.6-68-171.514800112.4H28 F109 R113 N115 M121 L123H28-E111 WeakPolarHBondContact CA-OE2 3.23Å; H28-E111 WeakPolarHBondContact CB-OE2 3.38Å; H28-E111 PolarHBondContact N-OE2 3.36Å; F109-E111 PolarHBondContact O-N 3.38Å; F109-E111 VanDerWaalsContact O-N 3.1Å; E111-R113 PolarHBondContact O-N 2.68Å; E111-R113 VanDerWaalsContact O-N 3.12Å; E111-N115 PolarHBondContact OE1-ND2 2.67Å; E111-N115 VanDerWaalsContact OE2-CB 3.28Å; E111-N115 WeakPolarHBondContact OE2-CB 3.36Å; E111-M121 HydrophobicContact CB-CG 4.1Å; E111-M121 HydrophobicContact CB-SD 3.65Å; E111-M121 HydrophobicContact CG-CG 3.83Å; E111-M121 HydrophobicContact CG-SD 4.02Å; E111-L123 HydrophobicContact CG-CD2 4.21Å
112G84.8Confident88.6Confident3 Ų357 Ų573%0.03129%0.286CS..  trans67.38.4176.700000114.1T55 R84 F109 P110T55-G112 WeakPolarHBondContact CB-O 3.48Å; R84-G112 WeakPolarHBondContact CD-O 3.42Å; R84-G112 WeakPolarHBondContact CG-O 3.37Å; F109-G112 PolarHBondContact O-N 3.1Å; P110-G112 PolarHBondContact O-N 3.2Å
113R85.2Confident88.6Confident125 Ų12555.3 Ų55.347%0.47228%0.277SS..SBendtrans-163.3162.8170.562.7179-177.9128.7-6.1109.3E111 N115 M121E111-R113 PolarHBondContact O-N 2.68Å; E111-R113 VanDerWaalsContact O-N 3.12Å; R113-N115 PolarHBondContact O-N 3.03Å; R113-M121 HydrophobicContact CG-CE 4.37Å; R113-M121 HydrophobicContact CG-SD 4.14Å
114V85.7Confident88.6Confident18 Ų1856 Ų5611%0.10928%0.276CS..  trans-63.3123.5168.2-178.80000109.6H28 H29 F116H28-V114 WeakPolarHBondContact NE2-CG2 3.24Å; H28-V114 CarbonylContact O-C 3.45Å; H28-V114 WeakPolarHBondContact O-CA 3.13Å; H29-V114 VanDerWaalsContact O-CG1 3.24Å; H29-V114 WeakPolarHBondContact O-CG1 3.31Å; V114-F116 HydrophobicContact CB-CE2 4Å; V114-F116 HydrophobicContact CB-CZ 4.08Å; V114-F116 HydrophobicContact CG1-CD1 3.99Å; V114-F116 HydrophobicContact CG1-CD2 4.06Å; V114-F116 HydrophobicContact CG1-CE1 3.66Å; V114-F116 HydrophobicContact CG1-CE2 3.73Å; V114-F116 HydrophobicContact CG1-CG 4.19Å; V114-F116 HydrophobicContact CG1-CZ 3.53Å
115N87.1Confident88.7Confident2 Ų264.4 Ų64.41%0.01131%0.305CS..  trans-97.981.8177.3-1767.3000110.8H28 E111 R113 S117 R118 V119 M121H28-N115 PolarHBondContact O-N 3.21Å; E111-N115 PolarHBondContact OE1-ND2 2.67Å; E111-N115 VanDerWaalsContact OE2-CB 3.28Å; E111-N115 WeakPolarHBondContact OE2-CB 3.36Å; R113-N115 PolarHBondContact O-N 3.03Å; N115-S117 VanDerWaalsContact C-N 3.28Å; N115-S117 PolarHBondContact O-N 2.96Å; N115-S117 PolarHBondContact OD1-N 3.41Å; N115-S117 PolarHBondContact OD1-OG 3.08Å; N115-R118 PolarHBondContact O-N 2.87Å; N115-R118 PolarHBondContact OD1-N 2.64Å; N115-R118 VanDerWaalsContact OD1-N 3.13Å; N115-V119 PolarHBondContact ND2-O 3.1Å; N115-M121 HydrophobicContact CB-CE 3.72Å; N115-M121 HydrophobicContact CB-SD 4.31Å; N115-M121 VanDerWaalsContact CG-CE 3.49Å
116F85.2Confident88.7Confident167 Ų16765 Ų6573%0.73231%0.313SS*.THydrogen-bonded Turntrans-63.3-33.6177.3-62.3-76.8000113V114 R118V114-F116 HydrophobicContact CB-CE2 4Å; V114-F116 HydrophobicContact CB-CZ 4.08Å; V114-F116 HydrophobicContact CG1-CD1 3.99Å; V114-F116 HydrophobicContact CG1-CD2 4.06Å; V114-F116 HydrophobicContact CG1-CE1 3.66Å; V114-F116 HydrophobicContact CG1-CE2 3.73Å; V114-F116 HydrophobicContact CG1-CG 4.19Å; V114-F116 HydrophobicContact CG1-CZ 3.53Å; F116-R118 VanDerWaalsContact C-N 3.25Å; F116-R118 PolarHBondContact O-N 3.46Å
117S86Confident88.8Confident82 Ų8266.1 Ų66.157%0.57332%0.319SS*.THydrogen-bonded Turntrans-70.6-18.8-179.243.20000113.7N115 V119N115-S117 VanDerWaalsContact C-N 3.28Å; N115-S117 PolarHBondContact O-N 2.96Å; N115-S117 PolarHBondContact OD1-N 3.41Å; N115-S117 PolarHBondContact OD1-OG 3.08Å; S117-V119 PolarHBondContact O-N 2.93Å
118R84.6Confident89Confident94 Ų9468.3 Ų68.336%0.35534%0.342SS..  trans54.77.2-173.1-52.8-174.5-174.9152.411.4115.5N115 F116 T150N115-R118 PolarHBondContact O-N 2.87Å; N115-R118 PolarHBondContact OD1-N 2.64Å; N115-R118 VanDerWaalsContact OD1-N 3.13Å; F116-R118 VanDerWaalsContact C-N 3.25Å; F116-R118 PolarHBondContact O-N 3.46Å; R118-T150 VanDerWaalsContact CZ-OG1 3.26Å; R118-T150 PolarHBondContact NH1-OG1 2.96Å; R118-T150 PolarHBondContact NH2-OG1 3.4Å
119V87.5Confident89.2Confident92 Ų9268.9 Ų68.956%0.55834%0.344SS*.  trans-72.6137.9171.2178.80000108.2N115 S117 M121N115-V119 PolarHBondContact ND2-O 3.1Å; S117-V119 PolarHBondContact O-N 2.93Å; V119-M121 PolarHBondContact O-N 3.26Å
120P87Confident89.4Confident124 Ų12469 Ų6981%0.80534%0.344SS*.  trans-50.1134.8174.7-28.435.4000111.8
121M89.5Confident89.7Confident39 Ų3970.4 Ų70.419%0.19235%0.353CS..  trans-129.1160.5178.465.4166.851.600112.1E111 R113 N115 V119 L123E111-M121 HydrophobicContact CB-CG 4.1Å; E111-M121 HydrophobicContact CB-SD 3.65Å; E111-M121 HydrophobicContact CG-CG 3.83Å; E111-M121 HydrophobicContact CG-SD 4.02Å; R113-M121 HydrophobicContact CG-CE 4.37Å; R113-M121 HydrophobicContact CG-SD 4.14Å; N115-M121 HydrophobicContact CB-CE 3.72Å; N115-M121 HydrophobicContact CB-SD 4.31Å; N115-M121 VanDerWaalsContact CG-CE 3.49Å; V119-M121 PolarHBondContact O-N 3.26Å; M121-L123 PolarHBondContact O-N 3.07Å
122R90.4Very high90Very high176 Ų17676.2 Ų76.266%0.66438%0.384SS*.PPolyproline II helixtrans-60.4120.6178-179.7179.4174.1-134.3-1.5110.8
123L91.8Very high90.6Very high96 Ų9679 Ų7950%0.50340%0.396SS..PPolyproline II helixtrans-71.6142173.3-57.2-171.4000111.4P110 E111 M121P110-L123 HydrophobicContact CB-CB 4.17Å; P110-L123 HydrophobicContact CB-CD1 4.46Å; P110-L123 HydrophobicContact CB-CD2 4.07Å; P110-L123 HydrophobicContact CB-CG 4.45Å; P110-L123 HydrophobicContact CG-CD1 4.36Å; P110-L123 HydrophobicContact CG-CD2 3.99Å; P110-L123 CarbonylContact O-C 3.54Å; E111-L123 HydrophobicContact CG-CD2 4.21Å; M121-L123 PolarHBondContact O-N 3.07Å
124K91Very high91.1Very high100 Ų10073.7 Ų73.744%0.43538%0.379SS..PPolyproline II helixtrans-84.2149.2176.8-57.4-45.2-176.983.40110.6P110 G126P110-K124 WeakPolarHBondContact O-CB 3.31Å; P110-K124 WeakPolarHBondContact O-CG 3.49Å; P110-K124 PolarHBondContact O-N 2.71Å; K124-G126 PolarHBondContact O-N 3.33Å
125W91.5Very high91.6Very high185 Ų18578.8 Ų78.870%0.70141%0.41SS*.THydrogen-bonded Turntrans-81.71.3-167.1-66.233.3000113.5V88 V127 G128 R129V88-W125 HydrophobicContact CG1-CB 4.27Å; W125-V127 VanDerWaalsContact C-N 3.26Å; W125-V127 PolarHBondContact O-N 2.84Å; W125-G128 WeakPolarHBondContact O-CA 3.18Å; W125-G128 PolarHBondContact O-N 2.76Å; W125-R129 PolarHBondContact O-N 2.58Å
126G91.3Very high92Very high19 Ų1985 Ų8520%0.19643%0.433CS..Hα-helixtrans-57.8-36.4-177.900000113.3K124 R129 L130K124-G126 PolarHBondContact O-N 3.33Å; G126-R129 PolarHBondContact O-N 2.92Å; G126-L130 WeakPolarHBondContact O-CG 3.13Å; G126-L130 PolarHBondContact O-N 3.26Å; G126-L130 VanDerWaalsContact O-N 3.1Å
127V93.5Very high92.6Very high22 Ų2282.2 Ų82.213%0.13343%0.43CS..Hα-helixtrans-62-44.7173.9179.20000110.9I23 V25 I108 P110 W125 R129 L130 V131I23-V127 HydrophobicContact CG2-CG1 4.38Å; V25-V127 HydrophobicContact CG1-CG1 4.11Å; V25-V127 HydrophobicContact CG1-CG2 3.81Å; I108-V127 HydrophobicContact CB-CG2 4.31Å; I108-V127 HydrophobicContact CD1-CG2 4.19Å; I108-V127 HydrophobicContact CG2-CG2 3.97Å; P110-V127 HydrophobicContact CB-CG2 4.24Å; W125-V127 VanDerWaalsContact C-N 3.26Å; W125-V127 PolarHBondContact O-N 2.84Å; V127-R129 VanDerWaalsContact C-N 3.32Å; V127-R129 PolarHBondContact O-N 3.31Å; V127-L130 PolarHBondContact O-N 2.92Å; V127-V131 HydrophobicContact CG1-CG2 4.41Å; V127-V131 WeakPolarHBondContact O-CG2 3.29Å; V127-V131 PolarHBondContact O-N 3.25Å
128G95.1Very high93Very high46 Ų4678.7 Ų78.747%0.47441%0.405SS..Hα-helixtrans-61.3-40.2178.200000112.4W125 V131 N132W125-G128 WeakPolarHBondContact O-CA 3.18Å; W125-G128 PolarHBondContact O-N 2.76Å; G128-V131 PolarHBondContact O-N 3.2Å; G128-N132 VanDerWaalsContact O-CB 3.32Å; G128-N132 WeakPolarHBondContact O-CB 3.47Å; G128-N132 PolarHBondContact O-N 3Å
129R94.7Very high93.6Very high24 Ų2477.1 Ų77.19%0.09141%0.406CS..Hα-helixtrans-58.6-49.8172.9-179.8178.2174-136.2-11.6111.5V88 Y89 V93 D94 W125 G126 V127 V131 N132 E133V88-R129 HydrophobicContact CB-CB 4.45Å; V88-R129 PolarHBondContact O-NH1 3.44Å; Y89-R129 VanDerWaalsContact CE1-NE 3.29Å; V93-R129 VanDerWaalsContact CG1-NH1 3.31Å; D94-R129 IonicContact OD1-CZ 3.99Å; D94-R129 VanDerWaalsContact OD1-CZ 3.22Å; D94-R129 IonicContact OD1-NH1 3.22Å; D94-R129 PolarHBondContact OD1-NH1 3.29Å; D94-R129 IonicContact OD1-NH2 2.81Å; D94-R129 PolarHBondContact OD1-NH2 3.09Å; W125-R129 PolarHBondContact O-N 2.58Å; G126-R129 PolarHBondContact O-N 2.92Å; V127-R129 VanDerWaalsContact C-N 3.32Å; V127-R129 PolarHBondContact O-N 3.31Å; R129-V131 VanDerWaalsContact C-N 3.32Å; R129-V131 PolarHBondContact O-N 3.3Å; R129-N132 PolarHBondContact O-N 2.93Å; R129-E133 HydrophobicContact CG-CG 4.29Å; R129-E133 WeakPolarHBondContact CG-OE1 3.46Å; R129-E133 IonicContact CZ-OE1 3.55Å; R129-E133 IonicContact CZ-OE2 3.06Å; R129-E133 VanDerWaalsContact CZ-OE2 3.31Å; R129-E133 VanDerWaalsContact NE-CD 3.32Å; R129-E133 IonicContact NE-OE1 2.67Å; R129-E133 PolarHBondContact NE-OE1 3.35Å; R129-E133 IonicContact NE-OE2 3.31Å; R129-E133 PolarHBondContact NE-OE2 3.01Å; R129-E133 IonicContact NH2-OE2 3.79Å; R129-E133 PolarHBondContact NH2-OE2 3.45Å; R129-E133 WeakPolarHBondContact O-CB 3.38Å; R129-E133 PolarHBondContact O-N 3.5Å
130L95.1Very high94Very high5 Ų575.7 Ų75.73%0.02640%0.398CS..Hα-helixtrans-62.1-39.3-178.7-68.4171.3000112.5I23 V93 C96 L97 L100 I108 G126 V127 A134I23-L130 HydrophobicContact CD1-CB 3.88Å; V93-L130 HydrophobicContact CG1-CD2 3.86Å; V93-L130 HydrophobicContact CG1-CG 4.24Å; C96-L130 HydrophobicContact CB-CD1 4.05Å; C96-L130 HydrophobicContact CB-CD2 3.72Å; L97-L130 HydrophobicContact CB-CD2 4.13Å; L97-L130 HydrophobicContact CD1-CD2 4.47Å; L100-L130 HydrophobicContact CD1-CB 3.86Å; L100-L130 HydrophobicContact CD1-CD1 4.36Å; L100-L130 HydrophobicContact CD1-CD2 4.1Å; L100-L130 HydrophobicContact CD1-CG 4.33Å; I108-L130 HydrophobicContact CD1-CD1 3.25Å; G126-L130 WeakPolarHBondContact O-CG 3.13Å; G126-L130 PolarHBondContact O-N 3.26Å; G126-L130 VanDerWaalsContact O-N 3.1Å; V127-L130 PolarHBondContact O-N 2.92Å; L130-A134 WeakPolarHBondContact O-CB 3.5Å; L130-A134 PolarHBondContact O-N 3.44Å
131V96.9Very high94.4Very high46 Ų4671.2 Ų71.228%0.27937%0.367SS..Hα-helixtrans-64.8-41.5175.2173.80000111.2I23 V127 G128 R129 V137 P138 V140I23-V131 HydrophobicContact CD1-CG2 4.05Å; V127-V131 HydrophobicContact CG1-CG2 4.41Å; V127-V131 WeakPolarHBondContact O-CG2 3.29Å; V127-V131 PolarHBondContact O-N 3.25Å; G128-V131 PolarHBondContact O-N 3.2Å; R129-V131 VanDerWaalsContact C-N 3.32Å; R129-V131 PolarHBondContact O-N 3.3Å; V131-V137 HydrophobicContact CG1-CG1 4.43Å; V131-P138 HydrophobicContact CG2-CG 4.14Å; V131-V140 HydrophobicContact CG2-CG2 3.73Å
132N96.9Very high94.6Very high136 Ų13674 Ų7473%0.72739%0.388SS*.Hα-helixtrans-73.8-36.6-176.7-174.677000113.6G128 R129G128-N132 VanDerWaalsContact O-CB 3.32Å; G128-N132 WeakPolarHBondContact O-CB 3.47Å; G128-N132 PolarHBondContact O-N 3Å; R129-N132 PolarHBondContact O-N 2.93Å
133E96.9Very high94.6Very high62 Ų6267.3 Ų67.329%0.2937%0.365SS..Hα-helixtrans-95.9-11.1-173.4-68-179.9-159.700113.7Y89 L97 R129Y89-E133 WeakPolarHBondContact CE1-OE1 2.84Å; Y89-E133 PolarHBondContact OH-OE1 2.88Å; L97-E133 HydrophobicContact CD1-CB 4.03Å; L97-E133 HydrophobicContact CD2-CB 3.92Å; R129-E133 HydrophobicContact CG-CG 4.29Å; R129-E133 WeakPolarHBondContact CG-OE1 3.46Å; R129-E133 IonicContact CZ-OE1 3.55Å; R129-E133 IonicContact CZ-OE2 3.06Å; R129-E133 VanDerWaalsContact CZ-OE2 3.31Å; R129-E133 VanDerWaalsContact NE-CD 3.32Å; R129-E133 IonicContact NE-OE1 2.67Å; R129-E133 PolarHBondContact NE-OE1 3.35Å; R129-E133 IonicContact NE-OE2 3.31Å; R129-E133 PolarHBondContact NE-OE2 3.01Å; R129-E133 IonicContact NH2-OE2 3.79Å; R129-E133 PolarHBondContact NH2-OE2 3.45Å; R129-E133 WeakPolarHBondContact O-CB 3.38Å; R129-E133 PolarHBondContact O-N 3.5Å
134A96Very high94.5Very high12 Ų1271.5 Ų71.510%0.09937%0.374CS..  trans-68.8136.7178.900000111.7L97 L130 R136L97-A134 HydrophobicContact CD1-CB 4.05Å; L130-A134 WeakPolarHBondContact O-CB 3.5Å; L130-A134 PolarHBondContact O-N 3.44Å; A134-R136 WeakPolarHBondContact CB-O 3.21Å; A134-R136 PolarHBondContact O-N 2.88Å
135T96.2Very high94.2Very high126 Ų12668.4 Ų68.477%0.77336%0.361SS*.SBendtrans-58.2-35.9179.4-55.90000112N101N101-T135 PolarHBondContact OD1-N 3.12Å; N101-T135 PolarHBondContact OD1-OG1 3.1Å
136R95.5Very high93.8Very high131 Ų13164.4 Ų64.449%0.49436%0.362SS..SBendtrans-120.4128.1171.7179.2176.9177.7-170.72.8108.1P21 A134 P138P21-R136 HydrophobicContact CG-CB 4.12Å; P21-R136 HydrophobicContact CG-CG 4.11Å; P21-R136 WeakPolarHBondContact CG-O 3.33Å; A134-R136 WeakPolarHBondContact CB-O 3.21Å; A134-R136 PolarHBondContact O-N 2.88Å; R136-P138 WeakPolarHBondContact O-CD 3.23Å; R136-P138 VanDerWaalsContact O-N 3.15Å
137V96.3Very high92.7Very high109 Ų10966.6 Ų66.666%0.66138%0.384SS*.PPolyproline II helixtrans-56.9119.4179.8-178.50000109.5V131V131-V137 HydrophobicContact CG1-CG1 4.43Å
138P95.9Very high90.6Very high8 Ų869.6 Ų69.65%0.05241%0.406CS..PPolyproline II helixtrans-78.6149.7-17931-34000111.7P21 I23 L100 V131 R136 V140P21-P138 HydrophobicContact CB-CB 4Å; P21-P138 HydrophobicContact CG-CB 4.16Å; P21-P138 CarbonylContact O-C 3.45Å; P21-P138 WeakPolarHBondContact O-CA 3.47Å; P21-P138 WeakPolarHBondContact O-CB 3.43Å; I23-P138 HydrophobicContact CD1-CB 4.06Å; I23-P138 HydrophobicContact CD1-CG 3.53Å; I23-P138 HydrophobicContact CG1-CB 4Å; I23-P138 HydrophobicContact CG1-CG 4.05Å; L100-P138 HydrophobicContact CD2-CB 4.31Å; V131-P138 HydrophobicContact CG2-CG 4.14Å; R136-P138 WeakPolarHBondContact O-CD 3.23Å; R136-P138 VanDerWaalsContact O-N 3.15Å; P138-V140 PolarHBondContact O-N 3.02Å
139T96.5Very high88.4Confident62 Ų6269.9 Ų69.938%0.3841%0.409SS..EExtended strand (participates in β ladder)trans-71.6128.9166.3-600000108.6P21 L22 I23P21-T139 PolarHBondContact O-N 3.19Å; L22-T139 HydrophobicContact CD1-CG2 4.38Å; L22-T139 WeakPolarHBondContact CD1-O 3.44Å; I23-T139 PolarHBondContact N-O 3.13Å
140V96.2Very high85.7Confident62 Ų6273.1 Ų73.138%0.37643%0.431SS..EExtended strand (participates in β ladder)trans-100.7112.4173.7-176.50000108.9I23 V25 V131 P138 P142I23-V140 HydrophobicContact CB-CG2 4.39Å; I23-V140 CarbonylContact O-C 3.48Å; I23-V140 WeakPolarHBondContact O-CA 3.21Å; V25-V140 HydrophobicContact CG1-CG1 4.08Å; V25-V140 HydrophobicContact CG2-CG1 4.09Å; V131-V140 HydrophobicContact CG2-CG2 3.73Å; P138-V140 PolarHBondContact O-N 3.02Å; V140-P142 WeakPolarHBondContact O-CD 3.49Å
141L94.4Very high82.8Confident29 Ų2979.4 Ų79.415%0.15247%0.465CS..EExtended strand (participates in β ladder)trans-104.7110.3179.6-177.467.9000110.5A11 L12 L22 I23 T24 V25A11-L141 HydrophobicContact CB-CD1 4.3Å; L12-L141 HydrophobicContact CB-CD2 3.95Å; L12-L141 HydrophobicContact CD1-CD2 3.85Å; L22-L141 HydrophobicContact CD1-CB 3.97Å; I23-L141 PolarHBondContact O-N 3.18Å; T24-L141 VanDerWaalsContact CA-O 3.3Å; T24-L141 WeakPolarHBondContact CA-O 3.14Å; T24-L141 HydrophobicContact CG2-CB 4.13Å; T24-L141 HydrophobicContact CG2-CD2 4.19Å; V25-L141 PolarHBondContact N-O 3.27Å
142P94.3Very high79.5Confident99 Ų9986.6 Ų86.664%0.64349%0.493SS*.EExtended strand (participates in β ladder)trans-72136.3173.129.5-33.5000111.2V25 V140V25-P142 HydrophobicContact CG2-CB 4.15Å; V140-P142 WeakPolarHBondContact O-CD 3.49Å
143I90.3Very high76.4Confident34 Ų3490.2 Ų90.217%0.17452%0.519CS..EExtended strand (participates in β ladder)trans-126.6126.9175-60.1178.2000107.4T24 V25 S26 L37 W38T24-I143 HydrophobicContact CG2-CD1 3.81Å; V25-I143 PolarHBondContact O-N 3.09Å; S26-I143 WeakPolarHBondContact CA-O 3.4Å; S26-I143 VanDerWaalsContact CB-O 3.28Å; S26-I143 WeakPolarHBondContact CB-O 3.37Å; S26-I143 PolarHBondContact OG-O 2.63Å; L37-I143 HydrophobicContact CD2-CG2 3.78Å; W38-I143 HydrophobicContact CH2-CD1 3.57Å; W38-I143 HydrophobicContact CZ2-CD1 3.91Å
144W90Very high75.3Confident184 Ų18491.7 Ų91.770%0.69753%0.531SS*.  trans-111.8132.3171.2-172-96000109.2N27N27-W144 HydrophobicContact CB-CE3 3.84Å; N27-W144 HydrophobicContact CB-CH2 4.13Å; N27-W144 HydrophobicContact CB-CZ3 3.62Å; N27-W144 WeakPolarHBondContact OD1-CA 3.33Å
145H85Confident74.2Confident35 Ų3595.8 Ų95.816%0.16255%0.554CS.*  trans-118.6137.6170.169.492.8000111.2S26 N27 H29 D33 L37S26-H145 PolarHBondContact OG-CD2 2.83Å; N27-H145 PolarHBondContact ND2-NE2 2.89Å; N27-H145 PolarHBondContact ND2-O 2.8Å; N27-H145 PolarHBondContact O-CD2 3.25Å; N27-H145 PolarHBondContact O-NE2 3.13Å; N27-H145 PolarHBondContact OD1-CD2 3.43Å; N27-H145 PolarHBondContact OD1-N 3.29Å; H29-H145 AromaticContact CG-CE1 4Å; H29-H145 AromaticContact ND1-CE1 3.89Å; D33-H145 IonicContact OD1-CE1 2.72Å; D33-H145 PolarHBondContact OD1-CE1 3.35Å; D33-H145 IonicContact OD2-CE1 3.07Å; D33-H145 PolarHBondContact OD2-CE1 3.16Å; D33-H145 IonicContact OD2-NE2 3.4Å; D33-H145 PolarHBondContact OD2-NE2 2.77Å; L37-H145 HydrophobicContact CD2-CB 4.47Å
146S81.9Confident73Confident102 Ų10294.2 Ų94.271%0.71354%0.541SS*.  trans-132.8133174.153.20000107.9
147G68.8Low71.7Confident65 Ų6592 Ų9267%0.6754%0.544SS*.  trans177.7136.8-174.800000111.6
148S50.1Low70.2Confident85 Ų8590.9 Ų90.959%0.59454%0.537SS*.  trans-78120.8-148.741.20000115.4
149G48.3Very low68.5Low51 Ų5196.5 Ų96.553%0.52657%0.569SS.*SBendtrans-133.71.1161.200000114.7
150T38.3Very low66.5Low92 Ų9298.9 Ų98.956%0.56458%0.583SS**  trans-157.742.8-171.358.20000114.6R118R118-T150 VanDerWaalsContact CZ-OG1 3.26Å; R118-T150 PolarHBondContact NH1-OG1 2.96Å; R118-T150 PolarHBondContact NH2-OG1 3.4Å
151D33.4Very low64.2Low137 Ų137101.8 Ų101.873%0.73360%0.599SS**  trans-105.940.7161.4-61-30.4000109.9
152F29.3Very low61.6Low197 Ų197107.8 Ų107.886%0.86464%0.636SS**  trans-9587168.1-67.4-74.8000108.4
153V30.2Very low58.7Low213 Ų213108.6 Ų108.6100%1.29164%0.635SS**  trans-97.60132.91770000105.9

Retrieved 153 of 153 residues in 165.5 ms (Link to these results)

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