I1MPF3_SOYBN Loading...

Glycosyltransferase

AlphaFold DB , UniProt , Accession I1MPF3, Species SOYBN (Glycine max, Soybean), Gene UGT7, Length 473 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
1M80.4Confident93.5Very high172 Ų17238.4 Ų38.485%0.84718%0.184SC*.  0152.30-70.7-179.8-134.900108N117M1-N117 HydrophobicContact CB-CB 4.04Å
2K87.6Confident92.6Very high162 Ų16236.3 Ų36.370%0.70418%0.181SC*.  trans-71.7137.9175.2-69.3-175.6179.1-1780109.9T4 N117K2-T4 PolarHBondContact O-N 2.64Å; K2-T4 PolarHBondContact O-OG1 2.7Å; K2-T4 VanDerWaalsContact O-OG1 3.09Å; K2-N117 PolarHBondContact O-N 2.91Å
3D95Very high91.9Very high51 Ų5137.2 Ų37.227%0.27318%0.181SC..EExtended strand (participates in β ladder)trans-69.7119.9171.1-74.9-3.4000108.6L33 S34 N117 K119D3-L33 HydrophobicContact CB-CD2 4.06Å; D3-S34 PolarHBondContact O-N 3.46Å; D3-S34 PolarHBondContact O-OG 2.91Å; D3-N117 WeakPolarHBondContact CA-O 3.28Å; D3-N117 PolarHBondContact OD1-ND2 3.44Å; D3-K119 HydrophobicContact CB-CG 3.8Å; D3-K119 VanDerWaalsContact OD1-CE 3.29Å; D3-K119 WeakPolarHBondContact OD1-CE 3.36Å; D3-K119 WeakPolarHBondContact OD2-CE 3.45Å
4T96.2Very high91.5Very high3 Ų336.5 Ų36.52%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-124.1128.7-167.8-55.40000110.4K2 V6 S34 T36 S116 N117 L118 K119K2-T4 PolarHBondContact O-N 2.64Å; K2-T4 PolarHBondContact O-OG1 2.7Å; K2-T4 VanDerWaalsContact O-OG1 3.09Å; T4-V6 HydrophobicContact CG2-CG2 4.45Å; T4-S34 WeakPolarHBondContact CA-O 3.21Å; T4-S34 PolarHBondContact OG1-OG 2.87Å; T4-T36 WeakPolarHBondContact CG2-OG1 3.38Å; T4-S116 WeakPolarHBondContact OG1-CB 3.46Å; T4-N117 PolarHBondContact N-O 3.41Å; T4-L118 HydrophobicContact CG2-CD2 4.27Å; T4-K119 PolarHBondContact O-N 3.35Å
5I97.8Very high91.5Very high0 Ų036.1 Ų36.10%019%0.185CC..EExtended strand (participates in β ladder)trans-96127.9164.4-45.4-56.3000107.4L7 L33 S34 I35 T36 K119 A120 V122 W470I5-L7 HydrophobicContact CG2-CD2 3.83Å; I5-L33 HydrophobicContact CD1-CD1 4.49Å; I5-L33 HydrophobicContact CD1-CD2 4.41Å; I5-L33 HydrophobicContact CG1-CD1 4.19Å; I5-S34 PolarHBondContact N-O 3.33Å; I5-I35 HydrophobicContact CB-CD1 3.79Å; I5-I35 HydrophobicContact CG1-CD1 4.16Å; I5-T36 PolarHBondContact O-N 3.16Å; I5-K119 HydrophobicContact CD1-CB 3.79Å; I5-A120 HydrophobicContact CD1-CB 4.22Å; I5-A120 HydrophobicContact CG2-CB 4.42Å; I5-V122 HydrophobicContact CG2-CG2 3.92Å; I5-W470 HydrophobicContact CD1-CB 4.01Å; I5-W470 HydrophobicContact CD1-CD2 3.65Å; I5-W470 HydrophobicContact CD1-CE3 3.54Å; I5-W470 HydrophobicContact CD1-CG 3.91Å; I5-W470 HydrophobicContact CD1-CZ3 4.18Å; I5-W470 HydrophobicContact CG1-CD2 4.34Å; I5-W470 HydrophobicContact CG1-CE3 3.81Å; I5-W470 HydrophobicContact CG1-CZ3 3.96Å; I5-W470 HydrophobicContact CG2-CH2 4.23Å; I5-W470 HydrophobicContact CG2-CZ2 4.33Å; I5-W470 HydrophobicContact CG2-CZ3 4.44Å
6V98.1Very high91.5Very high0 Ų034.2 Ų34.20%018%0.175CC..EExtended strand (participates in β ladder)trans-95.9124174.2-1770000108.7T4 T36 L38 L109 L112 L118 A120 I121 V122T4-V6 HydrophobicContact CG2-CG2 4.45Å; V6-T36 CarbonylContact C-O 3.58Å; V6-T36 VanDerWaalsContact CA-O 3.31Å; V6-T36 WeakPolarHBondContact CA-O 3.3Å; V6-L38 HydrophobicContact CG1-CD1 3.79Å; V6-L38 HydrophobicContact CG1-CD2 4.17Å; V6-L38 HydrophobicContact CG1-CG 3.65Å; V6-L109 HydrophobicContact CB-CD2 4.22Å; V6-L109 HydrophobicContact CG1-CD2 3.78Å; V6-L109 HydrophobicContact CG2-CD2 4.17Å; V6-L112 HydrophobicContact CG2-CD1 4.4Å; V6-L118 HydrophobicContact CG2-CD1 4.45Å; V6-L118 HydrophobicContact CG2-CD2 3.73Å; V6-A120 PolarHBondContact N-O 2.79Å; V6-I121 HydrophobicContact CB-CG1 4.38Å; V6-I121 CarbonylContact O-C 3.58Å; V6-I121 WeakPolarHBondContact O-CA 3.38Å; V6-V122 PolarHBondContact O-N 2.9Å
7L98.3Very high91.5Very high0 Ų032.9 Ų32.90%017%0.169CC..EExtended strand (participates in β ladder)trans-104.9132.9174.3-48.8-177.6000109.1I5 M19 I35 T36 I37 L38 V122I5-L7 HydrophobicContact CG2-CD2 3.83Å; L7-M19 HydrophobicContact CB-CG 3.61Å; L7-M19 HydrophobicContact CB-SD 3.89Å; L7-M19 HydrophobicContact CD1-CG 4.03Å; L7-M19 WeakPolarHBondContact CD1-O 3.26Å; L7-M19 HydrophobicContact CD1-SD 4.39Å; L7-M19 HydrophobicContact CD2-SD 4.43Å; L7-M19 HydrophobicContact CG-CG 4.38Å; L7-M19 HydrophobicContact CG-SD 4.46Å; L7-I35 HydrophobicContact CD1-CG2 3.59Å; L7-I35 HydrophobicContact CG-CG2 3.9Å; L7-T36 PolarHBondContact N-O 3.01Å; L7-I37 HydrophobicContact CB-CG1 4.21Å; L7-I37 HydrophobicContact CD1-CD1 4.39Å; L7-I37 HydrophobicContact CD1-CG1 4.27Å; L7-I37 CarbonylContact O-C 3.55Å; L7-I37 VanDerWaalsContact O-CA 3.32Å; L7-I37 WeakPolarHBondContact O-CA 3.4Å; L7-L38 PolarHBondContact O-N 3.3Å; L7-V122 WeakPolarHBondContact CA-O 3.4Å; L7-V122 HydrophobicContact CD2-CB 3.61Å; L7-V122 HydrophobicContact CD2-CG1 4.33Å; L7-V122 HydrophobicContact CD2-CG2 3.77Å
8Y97.2Very high91.7Very high2 Ų231.2 Ų31.21%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-125.786.2-179.5179.1-149.9000110.5L38 L40 I105 V122 M123 D124 N127Y8-L38 HydrophobicContact CD2-CB 4.01Å; Y8-L40 HydrophobicContact CE2-CD1 4.35Å; Y8-L40 HydrophobicContact CE2-CG 4.39Å; Y8-I105 HydrophobicContact CD1-CG2 4.08Å; Y8-I105 HydrophobicContact CD2-CD1 4.2Å; Y8-I105 HydrophobicContact CE1-CD1 4.48Å; Y8-I105 HydrophobicContact CE1-CG1 4.05Å; Y8-I105 HydrophobicContact CE1-CG2 3.97Å; Y8-I105 HydrophobicContact CE2-CD1 3.66Å; Y8-I105 HydrophobicContact CE2-CG1 4.03Å; Y8-V122 PolarHBondContact N-O 3.27Å; Y8-M123 HydrophobicContact CD1-CG 4.4Å; Y8-D124 WeakPolarHBondContact O-CB 3.36Å; Y8-D124 PolarHBondContact O-N 3.41Å; Y8-N127 HydrophobicContact CD1-CB 4.2Å; Y8-N127 WeakPolarHBondContact CD1-ND2 3.08Å; Y8-N127 HydrophobicContact CE1-CB 3.87Å; Y8-N127 VanDerWaalsContact CE1-ND2 3.34Å; Y8-N127 WeakPolarHBondContact CE1-ND2 3.48Å; Y8-N127 PolarHBondContact O-ND2 2.86Å
9P95.4Very high91.9Very high8 Ų829.5 Ų29.55%0.05215%0.152CC..PPolyproline II helixtrans-67.1152.8176.128.5-34.4000111.6H15 L16 M19 I37 L38 I39 N127P9-H15 HydrophobicContact CB-CB 4.46Å; P9-L16 HydrophobicContact CG-CD1 4Å; P9-M19 HydrophobicContact CB-CB 3.91Å; P9-M19 HydrophobicContact CB-CE 4.3Å; P9-M19 HydrophobicContact CB-CG 4.14Å; P9-M19 HydrophobicContact CG-CB 4.49Å; P9-M19 HydrophobicContact CG-CG 4.45Å; P9-I37 HydrophobicContact CG-CG2 3.88Å; P9-L38 WeakPolarHBondContact CD-O 3.48Å; P9-I39 HydrophobicContact CG-CD1 4.13Å; P9-N127 PolarHBondContact O-ND2 3.32Å
10N93Very high92.1Very high4 Ų428.1 Ų28.12%0.02114%0.144CC..PPolyproline II helixtrans-72.9162163.5-167.91.6000109.9H15 S94 T98 D124 M126N10-H15 HydrophobicContact CB-CB 4.28Å; N10-H15 VanDerWaalsContact O-CB 3.31Å; N10-H15 WeakPolarHBondContact O-CB 3.45Å; N10-S94 PolarHBondContact ND2-OG 3.36Å; N10-S94 WeakPolarHBondContact OD1-CB 3.36Å; N10-T98 WeakPolarHBondContact OD1-CG2 3.45Å; N10-D124 HydrophobicContact CB-CB 3.98Å; N10-D124 VanDerWaalsContact N-CB 3.29Å; N10-M126 HydrophobicContact CB-CB 4.21Å; N10-M126 WeakPolarHBondContact ND2-CB 3.44Å; N10-M126 VanDerWaalsContact ND2-CE 3.29Å; N10-M126 WeakPolarHBondContact ND2-CE 3.42Å
11L89.1Confident92.3Very high20 Ų2027.5 Ų27.511%0.10514%0.141CC..SBendtrans-60.6136.2168.3-67.2174.8000110.5L40 L78 L97 T98L11-L40 HydrophobicContact CD2-CB 3.91Å; L11-L40 HydrophobicContact CG-CD1 4.41Å; L11-L78 HydrophobicContact CD1-CD1 4.1Å; L11-L97 HydrophobicContact CD1-CB 3.64Å; L11-L97 HydrophobicContact CD1-CD1 3.65Å; L11-L97 HydrophobicContact CD1-CG 4.29Å; L11-T98 HydrophobicContact CG-CG2 4.3Å
12G83.2Confident93.1Very high14 Ų1419.3 Ų19.314%0.14410%0.101CC..SBendtrans128.2142.3-178.400000111.2G14 H15 L16G12-G14 VanDerWaalsContact C-N 3.31Å; G12-G14 PolarHBondContact O-N 3.36Å; G12-H15 PolarHBondContact O-N 3.43Å; G12-L16 PolarHBondContact O-N 3.25Å; G12-L16 VanDerWaalsContact O-N 3.11Å
13R84Confident93.6Very high48 Ų4811.6 Ų11.618%0.1817%0.067CC..Hα-helixtrans-61.5-40.5-176.4-172.1178.1-165.3-98.121.7112H15 L16 V17 N55 Y258 E260 W349R13-H15 PolarHBondContact O-N 3.28Å; R13-L16 PolarHBondContact O-N 3.43Å; R13-V17 HydrophobicContact CG-CG2 3.9Å; R13-V17 WeakPolarHBondContact O-CB 3.44Å; R13-V17 VanDerWaalsContact O-CG2 3.23Å; R13-V17 WeakPolarHBondContact O-CG2 3.23Å; R13-V17 PolarHBondContact O-N 3.41Å; R13-N55 HydrophobicContact CB-CB 4.36Å; R13-Y258 PolarHBondContact NH2-OH 3.14Å; R13-E260 IonicContact CZ-OE1 3.13Å; R13-E260 IonicContact NH2-OE1 3.56Å; R13-E260 PolarHBondContact NH2-OE1 3.07Å; R13-W349 VanDerWaalsContact NH1-CZ2 3.31Å
14G85.7Confident93.7Very high27 Ų2711.2 Ų11.228%0.2786%0.063SC..Hα-helixtrans-58.7-45.5179.200000112.9G12 S18 N371G12-G14 VanDerWaalsContact C-N 3.31Å; G12-G14 PolarHBondContact O-N 3.36Å; G14-S18 WeakPolarHBondContact O-CB 3.39Å; G14-S18 PolarHBondContact O-N 2.73Å; G14-S18 VanDerWaalsContact O-N 3.08Å; G14-N371 PolarHBondContact O-ND2 2.98Å
15H91.8Very high93.7Very high31 Ų3112.1 Ų12.114%0.1447%0.068CC..Hα-helixtrans-66-49.7178.3-64.2-74.8000112P9 N10 G12 R13 M19 D124 M126 T149P9-H15 HydrophobicContact CB-CB 4.46Å; N10-H15 HydrophobicContact CB-CB 4.28Å; N10-H15 VanDerWaalsContact O-CB 3.31Å; N10-H15 WeakPolarHBondContact O-CB 3.45Å; G12-H15 PolarHBondContact O-N 3.43Å; R13-H15 PolarHBondContact O-N 3.28Å; H15-M19 VanDerWaalsContact O-CB 3.24Å; H15-M19 WeakPolarHBondContact O-CB 3.2Å; H15-M19 PolarHBondContact O-N 2.71Å; H15-D124 IonicContact CE1-OD1 3.72Å; H15-D124 IonicContact CE1-OD2 3.86Å; H15-D124 IonicContact CG-OD2 3.94Å; H15-D124 IonicContact ND1-OD1 2.78Å; H15-D124 PolarHBondContact ND1-OD1 3.06Å; H15-D124 IonicContact ND1-OD2 3.86Å; H15-D124 PolarHBondContact ND1-OD2 3.5Å; H15-M126 WeakPolarHBondContact CE1-CE 3.23Å; H15-M126 WeakPolarHBondContact NE2-CE 3.24Å; H15-T149 PolarHBondContact CE1-OG1 2.92Å; H15-T149 VanDerWaalsContact CE1-OG1 3.22Å; H15-T149 PolarHBondContact ND1-OG1 3.38Å
16L92Very high93.7Very high5 Ų512.1 Ų12.13%0.0267%0.068CC..Hα-helixtrans-62.3-50.1-179.8176.162000112.1P9 G12 R13 M19 V20 I37 I39 N57 Y60 I61 F73P9-L16 HydrophobicContact CG-CD1 4Å; G12-L16 PolarHBondContact O-N 3.25Å; G12-L16 VanDerWaalsContact O-N 3.11Å; R13-L16 PolarHBondContact O-N 3.43Å; L16-M19 PolarHBondContact O-N 3.29Å; L16-V20 HydrophobicContact CD1-CG2 3.92Å; L16-V20 HydrophobicContact CG-CG2 4.35Å; L16-V20 WeakPolarHBondContact O-CB 3.49Å; L16-V20 VanDerWaalsContact O-CG2 3.29Å; L16-V20 WeakPolarHBondContact O-CG2 3.32Å; L16-V20 PolarHBondContact O-N 2.97Å; L16-I37 HydrophobicContact CD1-CG2 4.44Å; L16-I39 HydrophobicContact CD1-CD1 3.35Å; L16-N57 HydrophobicContact CD2-CB 3.41Å; L16-N57 VanDerWaalsContact CD2-CB 3.41Å; L16-N57 VanDerWaalsContact CD2-CG 3.49Å; L16-N57 WeakPolarHBondContact CD2-ND2 3.28Å; L16-Y60 HydrophobicContact CD2-CD1 4.31Å; L16-Y60 HydrophobicContact CG-CE1 4.46Å; L16-I61 HydrophobicContact CD2-CD1 4.07Å; L16-I61 HydrophobicContact CD2-CG1 4.08Å; L16-F73 HydrophobicContact CD1-CE1 4.47Å
17V91.2Very high93.6Very high12 Ų1213 Ų137%0.0737%0.072CC..Hα-helixtrans-60.7-50.6-178.1172.30000109.4R13 M19 V20 E21 Y60R13-V17 HydrophobicContact CG-CG2 3.9Å; R13-V17 WeakPolarHBondContact O-CB 3.44Å; R13-V17 VanDerWaalsContact O-CG2 3.23Å; R13-V17 WeakPolarHBondContact O-CG2 3.23Å; R13-V17 PolarHBondContact O-N 3.41Å; V17-M19 VanDerWaalsContact C-N 3.31Å; V17-M19 PolarHBondContact O-N 3.42Å; V17-V20 PolarHBondContact O-N 2.85Å; V17-V20 VanDerWaalsContact O-N 3.17Å; V17-E21 HydrophobicContact CG1-CG 4.35Å; V17-E21 WeakPolarHBondContact O-CG 3.38Å; V17-E21 PolarHBondContact O-N 3Å; V17-Y60 HydrophobicContact CB-CE1 4.23Å; V17-Y60 HydrophobicContact CG2-CD1 4.01Å; V17-Y60 HydrophobicContact CG2-CE1 3.64Å; V17-Y60 HydrophobicContact CG2-CE2 4.43Å
18S94Very high93.5Very high2 Ų217.9 Ų17.91%0.01410%0.102CC..Hα-helixtrans-57.3-42.9179.1-174.20000112.1G14 E21 L22 Y147G14-S18 WeakPolarHBondContact O-CB 3.39Å; G14-S18 PolarHBondContact O-N 2.73Å; G14-S18 VanDerWaalsContact O-N 3.08Å; S18-E21 PolarHBondContact O-N 3.45Å; S18-L22 PolarHBondContact O-N 3.02Å; S18-Y147 VanDerWaalsContact OG-CE1 3.23Å; S18-Y147 WeakPolarHBondContact OG-CE1 3.45Å; S18-Y147 PolarHBondContact OG-OH 3.43Å
19M96Very high93.4Very high0 Ų020.6 Ų20.60%012%0.115CC..Hα-helixtrans-69.1-37.7178.8-165.873.776.300112.8L7 P9 H15 L16 V17 L22 G23 V122 D124 Y147L7-M19 HydrophobicContact CB-CG 3.61Å; L7-M19 HydrophobicContact CB-SD 3.89Å; L7-M19 HydrophobicContact CD1-CG 4.03Å; L7-M19 WeakPolarHBondContact CD1-O 3.26Å; L7-M19 HydrophobicContact CD1-SD 4.39Å; L7-M19 HydrophobicContact CD2-SD 4.43Å; L7-M19 HydrophobicContact CG-CG 4.38Å; L7-M19 HydrophobicContact CG-SD 4.46Å; P9-M19 HydrophobicContact CB-CB 3.91Å; P9-M19 HydrophobicContact CB-CE 4.3Å; P9-M19 HydrophobicContact CB-CG 4.14Å; P9-M19 HydrophobicContact CG-CB 4.49Å; P9-M19 HydrophobicContact CG-CG 4.45Å; H15-M19 VanDerWaalsContact O-CB 3.24Å; H15-M19 WeakPolarHBondContact O-CB 3.2Å; H15-M19 PolarHBondContact O-N 2.71Å; L16-M19 PolarHBondContact O-N 3.29Å; V17-M19 VanDerWaalsContact C-N 3.31Å; V17-M19 PolarHBondContact O-N 3.42Å; M19-L22 PolarHBondContact O-N 2.85Å; M19-L22 HydrophobicContact SD-CD2 4.33Å; M19-G23 PolarHBondContact O-N 2.73Å; M19-V122 HydrophobicContact SD-CG1 4.27Å; M19-D124 HydrophobicContact CE-CB 4.06Å; M19-Y147 HydrophobicContact CE-CD1 3.85Å; M19-Y147 HydrophobicContact CE-CG 4.48Å; M19-Y147 HydrophobicContact SD-CD1 3.68Å; M19-Y147 HydrophobicContact SD-CE1 4.46Å; M19-Y147 HydrophobicContact SD-CG 4.38Å
20V96Very high93.4Very high0 Ų021.1 Ų21.10%012%0.117CC..Hα-helixtrans-63.7-44.8174.2166.50000110.8L16 V17 L22 G23 K24 I37 Y60 V64 F73L16-V20 HydrophobicContact CD1-CG2 3.92Å; L16-V20 HydrophobicContact CG-CG2 4.35Å; L16-V20 WeakPolarHBondContact O-CB 3.49Å; L16-V20 VanDerWaalsContact O-CG2 3.29Å; L16-V20 WeakPolarHBondContact O-CG2 3.32Å; L16-V20 PolarHBondContact O-N 2.97Å; V17-V20 PolarHBondContact O-N 2.85Å; V17-V20 VanDerWaalsContact O-N 3.17Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-G23 CarbonylContact O-C 3.27Å; V20-G23 WeakPolarHBondContact O-CA 3.39Å; V20-G23 PolarHBondContact O-N 2.9Å; V20-G23 VanDerWaalsContact O-N 3.12Å; V20-K24 HydrophobicContact CG1-CD 4.37Å; V20-K24 PolarHBondContact O-N 3.47Å; V20-I37 HydrophobicContact CB-CD1 4.31Å; V20-I37 HydrophobicContact CG2-CD1 3.57Å; V20-Y60 HydrophobicContact CB-CE1 4.07Å; V20-Y60 HydrophobicContact CG1-CE1 4.19Å; V20-Y60 VanDerWaalsContact CG1-OH 3.3Å; V20-Y60 WeakPolarHBondContact CG1-OH 3.12Å; V20-Y60 HydrophobicContact CG2-CE1 3.98Å; V20-V64 HydrophobicContact CG1-CB 4.45Å; V20-V64 HydrophobicContact CG1-CG1 3.82Å; V20-V64 HydrophobicContact CG1-CG2 3.79Å; V20-F73 HydrophobicContact CG2-CE1 3.92Å; V20-F73 HydrophobicContact CG2-CZ 4.03Å
21E95.9Very high93.5Very high17 Ų1726 Ų268%0.07915%0.148CC..Hα-helixtrans-66.3-36.3178.8-63.8-51131.800111.7V17 S18 G23 K24 L25 Y60 V253V17-E21 HydrophobicContact CG1-CG 4.35Å; V17-E21 WeakPolarHBondContact O-CG 3.38Å; V17-E21 PolarHBondContact O-N 3Å; S18-E21 PolarHBondContact O-N 3.45Å; E21-G23 VanDerWaalsContact C-N 3.33Å; E21-G23 PolarHBondContact O-N 3.26Å; E21-K24 PolarHBondContact O-N 3.18Å; E21-K24 IonicContact OE1-NZ 3.81Å; E21-K24 PolarHBondContact OE1-NZ 2.72Å; E21-K24 WeakPolarHBondContact OE2-CD 3.26Å; E21-K24 IonicContact OE2-NZ 2.91Å; E21-L25 WeakPolarHBondContact O-CB 3.45Å; E21-L25 PolarHBondContact O-N 2.95Å; E21-Y60 PolarHBondContact OE1-OH 2.93Å; E21-V253 VanDerWaalsContact C-CG1 3.46Å; E21-V253 HydrophobicContact CB-CG1 3.51Å
22L97.4Very high93.8Very high0 Ų029.1 Ų29.10%017%0.172CC..Hα-helixtrans-59.1-45.2168.9176.863.7000111S18 M19 V20 K24 L25 I26 V122 Y147 I222 V250S18-L22 PolarHBondContact O-N 3.02Å; M19-L22 PolarHBondContact O-N 2.85Å; M19-L22 HydrophobicContact SD-CD2 4.33Å; V20-L22 VanDerWaalsContact C-N 3.34Å; L22-K24 PolarHBondContact O-N 2.93Å; L22-L25 PolarHBondContact O-N 3.23Å; L22-I26 HydrophobicContact CD1-CD1 4.26Å; L22-I26 HydrophobicContact CD1-CG1 4.44Å; L22-I26 HydrophobicContact CG-CD1 3.99Å; L22-I26 WeakPolarHBondContact O-CD1 3.27Å; L22-I26 VanDerWaalsContact O-CG1 3.28Å; L22-I26 WeakPolarHBondContact O-CG1 3.31Å; L22-I26 PolarHBondContact O-N 3.18Å; L22-V122 HydrophobicContact CD2-CG1 4.41Å; L22-Y147 HydrophobicContact CB-CE1 4.24Å; L22-Y147 HydrophobicContact CD2-CD1 3.92Å; L22-Y147 HydrophobicContact CD2-CD2 3.93Å; L22-Y147 HydrophobicContact CD2-CE1 4.03Å; L22-Y147 HydrophobicContact CD2-CE2 4.06Å; L22-Y147 HydrophobicContact CD2-CG 3.86Å; L22-I222 HydrophobicContact CD1-CG2 4.47Å; L22-I222 HydrophobicContact CD2-CG2 4.44Å; L22-V250 HydrophobicContact CD1-CG2 3.95Å
23G97.7Very high94.3Very high0 Ų028.8 Ų28.80%017%0.167CC..Hα-helixtrans-59-44.1175.500000113.2M19 V20 E21 I26 L27M19-G23 PolarHBondContact O-N 2.73Å; V20-G23 CarbonylContact O-C 3.27Å; V20-G23 WeakPolarHBondContact O-CA 3.39Å; V20-G23 PolarHBondContact O-N 2.9Å; V20-G23 VanDerWaalsContact O-N 3.12Å; E21-G23 VanDerWaalsContact C-N 3.33Å; E21-G23 PolarHBondContact O-N 3.26Å; G23-I26 PolarHBondContact O-N 3.38Å; G23-L27 WeakPolarHBondContact O-CG 3.35Å; G23-L27 PolarHBondContact O-N 3.12Å
24K97.1Very high94.9Very high42 Ų4227.4 Ų27.418%0.18317%0.165CC..Hα-helixtrans-62.2-45.7174.6-71.4172.8179.9169.40111.2V20 E21 L22 I26 L27 T28 T68 I71V20-K24 HydrophobicContact CG1-CD 4.37Å; V20-K24 PolarHBondContact O-N 3.47Å; E21-K24 PolarHBondContact O-N 3.18Å; E21-K24 IonicContact OE1-NZ 3.81Å; E21-K24 PolarHBondContact OE1-NZ 2.72Å; E21-K24 WeakPolarHBondContact OE2-CD 3.26Å; E21-K24 IonicContact OE2-NZ 2.91Å; L22-K24 PolarHBondContact O-N 2.93Å; K24-I26 PolarHBondContact O-N 3.05Å; K24-L27 PolarHBondContact O-N 3.48Å; K24-L27 VanDerWaalsContact O-N 3.15Å; K24-T28 PolarHBondContact O-N 3.48Å; K24-T28 PolarHBondContact O-OG1 2.76Å; K24-T68 HydrophobicContact CG-CG2 4.38Å; K24-I71 HydrophobicContact CG-CD1 3.64Å
25L96.7Very high95.5Very high23 Ų2326.1 Ų26.112%0.1215%0.152CC..Hα-helixtrans-58.8-46.2178.3-179.467.2000111.6E21 L22 L27 T28 H29 V253 M453 L463E21-L25 WeakPolarHBondContact O-CB 3.45Å; E21-L25 PolarHBondContact O-N 2.95Å; L22-L25 PolarHBondContact O-N 3.23Å; L25-L27 VanDerWaalsContact C-N 3.33Å; L25-L27 PolarHBondContact O-N 2.95Å; L25-T28 PolarHBondContact O-N 3.02Å; L25-H29 PolarHBondContact O-CD2 2.59Å; L25-H29 PolarHBondContact O-N 3.2Å; L25-V253 HydrophobicContact CD2-CG2 3.76Å; L25-M453 HydrophobicContact CD1-CE 3.54Å; L25-M453 HydrophobicContact CD2-CE 3.99Å; L25-M453 HydrophobicContact CG-CE 4.43Å; L25-L463 HydrophobicContact CD1-CD2 4.23Å; L25-L463 HydrophobicContact CD2-CD2 3.91Å; L25-L463 HydrophobicContact CG-CD2 3.6Å
26I97.2Very high95.8Very high0 Ų025.2 Ų25.20%015%0.148CC..Hα-helixtrans-57.1-48.1174.8-67.4159000110.2L22 G23 K24 H29 H30 L33 I35 L463 W470L22-I26 HydrophobicContact CD1-CD1 4.26Å; L22-I26 HydrophobicContact CD1-CG1 4.44Å; L22-I26 HydrophobicContact CG-CD1 3.99Å; L22-I26 WeakPolarHBondContact O-CD1 3.27Å; L22-I26 VanDerWaalsContact O-CG1 3.28Å; L22-I26 WeakPolarHBondContact O-CG1 3.31Å; L22-I26 PolarHBondContact O-N 3.18Å; G23-I26 PolarHBondContact O-N 3.38Å; K24-I26 PolarHBondContact O-N 3.05Å; I26-H29 PolarHBondContact O-N 3.06Å; I26-H30 WeakPolarHBondContact O-CA 3.3Å; I26-H30 WeakPolarHBondContact O-CB 3.48Å; I26-H30 PolarHBondContact O-N 3.43Å; I26-L33 HydrophobicContact CG2-CD1 3.8Å; I26-I35 HydrophobicContact CB-CD1 4.42Å; I26-I35 HydrophobicContact CD1-CD1 4.31Å; I26-I35 HydrophobicContact CG2-CD1 4.12Å; I26-L463 HydrophobicContact CG1-CD1 3.83Å; I26-W470 HydrophobicContact CD1-CH2 3.68Å; I26-W470 HydrophobicContact CD1-CZ3 3.83Å; I26-W470 HydrophobicContact CG1-CH2 4.29Å; I26-W470 HydrophobicContact CG1-CZ3 4.09Å; I26-W470 HydrophobicContact CG2-CZ3 4.07Å
27L96.8Very high96.1Very high17 Ų1725 Ų259%0.08915%0.147CC..Hα-helixtrans-69.2-36.4-176.2-73.2170.3000113.7G23 K24 L25 H29 P31 L33 I35 T68 I71G23-L27 WeakPolarHBondContact O-CG 3.35Å; G23-L27 PolarHBondContact O-N 3.12Å; K24-L27 PolarHBondContact O-N 3.48Å; K24-L27 VanDerWaalsContact O-N 3.15Å; L25-L27 VanDerWaalsContact C-N 3.33Å; L25-L27 PolarHBondContact O-N 2.95Å; L27-H29 PolarHBondContact O-N 3.46Å; L27-P31 WeakPolarHBondContact O-CA 3.31Å; L27-L33 WeakPolarHBondContact CD2-O 3.47Å; L27-I35 HydrophobicContact CD1-CB 4.16Å; L27-I35 HydrophobicContact CD1-CG1 3.67Å; L27-I35 HydrophobicContact CD2-CG1 3.96Å; L27-I35 HydrophobicContact CG-CG1 3.61Å; L27-T68 HydrophobicContact CD1-CG2 4.35Å; L27-I71 HydrophobicContact CD1-CD1 4.18Å; L27-I71 HydrophobicContact CD1-CG1 3.46Å; L27-I71 VanDerWaalsContact CD1-CG1 3.46Å
28T95.7Very high96.3Very high103 Ų10324.4 Ų24.463%0.63214%0.144SC*.Hα-helixtrans-56.2-34.2175.5-65.30000111.4K24 L25K24-T28 PolarHBondContact O-N 3.48Å; K24-T28 PolarHBondContact O-OG1 2.76Å; L25-T28 PolarHBondContact O-N 3.02Å
29H96Very high96.3Very high60 Ų6025.4 Ų25.428%0.27815%0.148SC..Hα-helixtrans-110.2-20.8-170.9-72-48.4000114.6L25 I26 L27 P31 R460 L463L25-H29 PolarHBondContact O-CD2 2.59Å; L25-H29 PolarHBondContact O-N 3.2Å; I26-H29 PolarHBondContact O-N 3.06Å; L27-H29 PolarHBondContact O-N 3.46Å; H29-P31 VanDerWaalsContact C-CD 3.47Å; H29-R460 VanDerWaalsContact CB-NH2 3.27Å; H29-R460 VanDerWaalsContact CD2-CZ 3.47Å; H29-R460 PolarHBondContact CD2-NE 3.04Å; H29-R460 PolarHBondContact CD2-NH1 3.44Å; H29-R460 PolarHBondContact CE1-NE 3.33Å; H29-R460 VanDerWaalsContact CG-NE 3.26Å; H29-R460 PolarHBondContact ND1-NE 3.3Å; H29-R460 PolarHBondContact ND1-NH2 3.4Å; H29-R460 PolarHBondContact NE2-NE 2.88Å; H29-L463 HydrophobicContact CB-CD2 4.43Å
30H95.7Very high96.1Very high18 Ų1826 Ų268%0.08315%0.151CC..  trans-133.164.8177.4-55.9-56.7000110.4I26 S32 L33 D464 A467I26-H30 WeakPolarHBondContact O-CA 3.3Å; I26-H30 WeakPolarHBondContact O-CB 3.48Å; I26-H30 PolarHBondContact O-N 3.43Å; H30-S32 PolarHBondContact O-N 2.9Å; H30-L33 HydrophobicContact CB-CD1 3.86Å; H30-L33 HydrophobicContact CB-CG 4.27Å; H30-L33 WeakPolarHBondContact O-CB 3.08Å; H30-L33 PolarHBondContact O-N 3.31Å; H30-D464 IonicContact CE1-OD1 3.47Å; H30-D464 PolarHBondContact CE1-OD1 2.86Å; H30-D464 IonicContact NE2-OD1 3.91Å; H30-D464 PolarHBondContact NE2-OD1 2.92Å; H30-D464 VanDerWaalsContact NE2-OD1 3.09Å; H30-A467 WeakPolarHBondContact CD2-CB 3.07Å; H30-A467 WeakPolarHBondContact NE2-CB 3.4Å
31P95.3Very high95.5Very high106 Ų10627.8 Ų27.869%0.68816%0.163SC*.THydrogen-bonded Turntrans-66.8-5.5-173.728-37.6000114.5L27 H29 L33L27-P31 WeakPolarHBondContact O-CA 3.31Å; H29-P31 VanDerWaalsContact C-CD 3.47Å; P31-L33 VanDerWaalsContact C-N 3.32Å
32S93.8Very high94.6Very high86 Ų8629.7 Ų29.760%0.60118%0.176SC*.THydrogen-bonded Turntrans-76.1-19.7171.543.10000113.2H30H30-S32 PolarHBondContact O-N 2.9Å
33L95Very high93.3Very high8 Ų833 Ų334%0.04220%0.198CC..SBendtrans-82161.9174-61.5173.6000110.4D3 I5 I26 L27 H30 P31 W470D3-L33 HydrophobicContact CB-CD2 4.06Å; I5-L33 HydrophobicContact CD1-CD1 4.49Å; I5-L33 HydrophobicContact CD1-CD2 4.41Å; I5-L33 HydrophobicContact CG1-CD1 4.19Å; I26-L33 HydrophobicContact CG2-CD1 3.8Å; L27-L33 WeakPolarHBondContact CD2-O 3.47Å; H30-L33 HydrophobicContact CB-CD1 3.86Å; H30-L33 HydrophobicContact CB-CG 4.27Å; H30-L33 WeakPolarHBondContact O-CB 3.08Å; H30-L33 PolarHBondContact O-N 3.31Å; P31-L33 VanDerWaalsContact C-N 3.32Å; L33-W470 HydrophobicContact CD1-CE3 4.1Å
34S95.8Very high91.9Very high18 Ų1840 Ų4013%0.12624%0.24CC..EExtended strand (participates in β ladder)trans-124.2151.216753.90000109.9D3 T4 I5D3-S34 PolarHBondContact O-N 3.46Å; D3-S34 PolarHBondContact O-OG 2.91Å; T4-S34 WeakPolarHBondContact CA-O 3.21Å; T4-S34 PolarHBondContact OG1-OG 2.87Å; I5-S34 PolarHBondContact N-O 3.33Å
35I98.1Very high90.4Very high1 Ų143.6 Ų43.61%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-116127.7-177.6-60.3-59.8000109.1I5 L7 I26 L27 I37 S70 I71 T72I5-I35 HydrophobicContact CB-CD1 3.79Å; I5-I35 HydrophobicContact CG1-CD1 4.16Å; L7-I35 HydrophobicContact CD1-CG2 3.59Å; L7-I35 HydrophobicContact CG-CG2 3.9Å; I26-I35 HydrophobicContact CB-CD1 4.42Å; I26-I35 HydrophobicContact CD1-CD1 4.31Å; I26-I35 HydrophobicContact CG2-CD1 4.12Å; L27-I35 HydrophobicContact CD1-CB 4.16Å; L27-I35 HydrophobicContact CD1-CG1 3.67Å; L27-I35 HydrophobicContact CD2-CG1 3.96Å; L27-I35 HydrophobicContact CG-CG1 3.61Å; I35-I37 HydrophobicContact CG2-CD1 4.33Å; I35-I37 HydrophobicContact CG2-CG1 3.82Å; I35-S70 PolarHBondContact N-O 3.33Å; I35-I71 HydrophobicContact CB-CG1 4.13Å; I35-I71 HydrophobicContact CG2-CG1 4.3Å; I35-I71 HydrophobicContact CG2-CG2 4.4Å; I35-T72 PolarHBondContact O-N 3.14Å; I35-T72 PolarHBondContact O-OG1 3.11Å
36T98Very high88.9Confident11 Ų1145 Ų457%0.06728%0.277CS..EExtended strand (participates in β ladder)trans-116.7123.4167.9-58.30000109T4 I5 V6 L7 T72 H74 L112T4-T36 WeakPolarHBondContact CG2-OG1 3.38Å; I5-T36 PolarHBondContact O-N 3.16Å; V6-T36 CarbonylContact C-O 3.58Å; V6-T36 VanDerWaalsContact CA-O 3.31Å; V6-T36 WeakPolarHBondContact CA-O 3.3Å; L7-T36 PolarHBondContact N-O 3.01Å; T36-T72 CarbonylContact C-O 3.52Å; T36-T72 WeakPolarHBondContact CA-O 3.39Å; T36-T72 PolarHBondContact OG1-OG1 2.99Å; T36-H74 HydrophobicContact CG2-CB 3.94Å; T36-L112 HydrophobicContact CG2-CD1 3.77Å; T36-L112 HydrophobicContact CG2-CD2 4.01Å
37I98Very high87.5Confident0 Ų047.9 Ų47.90%030%0.297CS..EExtended strand (participates in β ladder)trans-105.1120.6179.2-51.7-174.7000109L7 P9 L16 V20 I35 I39 I71 T72 F73 H74L7-I37 HydrophobicContact CB-CG1 4.21Å; L7-I37 HydrophobicContact CD1-CD1 4.39Å; L7-I37 HydrophobicContact CD1-CG1 4.27Å; L7-I37 CarbonylContact O-C 3.55Å; L7-I37 VanDerWaalsContact O-CA 3.32Å; L7-I37 WeakPolarHBondContact O-CA 3.4Å; P9-I37 HydrophobicContact CG-CG2 3.88Å; L16-I37 HydrophobicContact CD1-CG2 4.44Å; V20-I37 HydrophobicContact CB-CD1 4.31Å; V20-I37 HydrophobicContact CG2-CD1 3.57Å; I35-I37 HydrophobicContact CG2-CD1 4.33Å; I35-I37 HydrophobicContact CG2-CG1 3.82Å; I37-I39 HydrophobicContact CG2-CD1 3.71Å; I37-I39 HydrophobicContact CG2-CG1 4.39Å; I37-I71 HydrophobicContact CD1-CG2 3.59Å; I37-I71 HydrophobicContact CG1-CG2 3.93Å; I37-T72 PolarHBondContact N-O 2.72Å; I37-F73 HydrophobicContact CB-CD1 3.97Å; I37-F73 HydrophobicContact CB-CE1 4.19Å; I37-F73 HydrophobicContact CD1-CE1 3.94Å; I37-F73 HydrophobicContact CD1-CZ 4.42Å; I37-F73 HydrophobicContact CG2-CD1 4.33Å; I37-F73 HydrophobicContact CG2-CE1 4.4Å; I37-F73 WeakPolarHBondContact O-CA 3.35Å; I37-H74 PolarHBondContact O-N 2.81Å
38L96.9Very high85.9Confident1 Ų152 Ų521%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-79.9123.5175.3-57.5-175.7000109.8V6 L7 Y8 P9 H74 I105 L109 L112V6-L38 HydrophobicContact CG1-CD1 3.79Å; V6-L38 HydrophobicContact CG1-CD2 4.17Å; V6-L38 HydrophobicContact CG1-CG 3.65Å; L7-L38 PolarHBondContact O-N 3.3Å; Y8-L38 HydrophobicContact CD2-CB 4.01Å; P9-L38 WeakPolarHBondContact CD-O 3.48Å; L38-H74 WeakPolarHBondContact CA-O 3.42Å; L38-H74 HydrophobicContact CD2-CB 3.89Å; L38-I105 HydrophobicContact CB-CD1 4.33Å; L38-I105 HydrophobicContact CD1-CD1 4.29Å; L38-I105 HydrophobicContact CD1-CG2 3.73Å; L38-L109 HydrophobicContact CD1-CD2 4.03Å; L38-L109 HydrophobicContact CD1-CG 4.14Å; L38-L112 HydrophobicContact CD2-CD1 3.61Å
39I93Very high84.4Confident23 Ų2350.3 Ų50.312%0.11831%0.313CS..EExtended strand (participates in β ladder)trans-119.6116.4-179.2-56.3-63000109.5P9 L16 I37 T41 I61 F73 H74 R75 V76P9-I39 HydrophobicContact CG-CD1 4.13Å; L16-I39 HydrophobicContact CD1-CD1 3.35Å; I37-I39 HydrophobicContact CG2-CD1 3.71Å; I37-I39 HydrophobicContact CG2-CG1 4.39Å; I39-T41 PolarHBondContact O-N 2.98Å; I39-I61 HydrophobicContact CG2-CD1 4.4Å; I39-F73 HydrophobicContact CD1-CD1 4.01Å; I39-F73 HydrophobicContact CD1-CE1 4.44Å; I39-F73 HydrophobicContact CG1-CB 4.39Å; I39-F73 HydrophobicContact CG1-CD1 3.74Å; I39-H74 PolarHBondContact N-O 3.07Å; I39-R75 CarbonylContact O-C 3.57Å; I39-R75 WeakPolarHBondContact O-CA 3.22Å; I39-V76 PolarHBondContact O-N 2.95Å
40L91.4Very high83Confident11 Ų1148.3 Ų48.36%0.05831%0.305CS..EExtended strand (participates in β ladder)trans-68.3129.4168.6-68.6172000109.9Y8 L11 V76 L78 T98 I105Y8-L40 HydrophobicContact CE2-CD1 4.35Å; Y8-L40 HydrophobicContact CE2-CG 4.39Å; L11-L40 HydrophobicContact CD2-CB 3.91Å; L11-L40 HydrophobicContact CG-CD1 4.41Å; L40-V76 CarbonylContact C-O 3.53Å; L40-V76 VanDerWaalsContact CA-O 3.31Å; L40-V76 WeakPolarHBondContact CA-O 3.45Å; L40-V76 HydrophobicContact CD2-CB 4.16Å; L40-V76 HydrophobicContact CD2-CG1 4.13Å; L40-L78 HydrophobicContact CB-CD1 4.02Å; L40-L78 HydrophobicContact CD1-CD1 3.9Å; L40-L78 HydrophobicContact CD2-CD1 4.43Å; L40-L78 HydrophobicContact CG-CD1 4.36Å; L40-T98 HydrophobicContact CD1-CG2 3.68Å; L40-I105 HydrophobicContact CD2-CD1 3.79Å; L40-I105 HydrophobicContact CD2-CG1 4.27Å; L40-I105 HydrophobicContact CG-CD1 4.33Å
41T85.1Confident81.7Confident39 Ų3950.8 Ų50.824%0.23932%0.321CS..EExtended strand (participates in β ladder)trans-109.8126.4-177.946.40000110.1I39 R75 V76 L78I39-T41 PolarHBondContact O-N 2.98Å; T41-R75 HydrophobicContact CG2-CB 3.77Å; T41-R75 HydrophobicContact CG2-CG 3.71Å; T41-V76 PolarHBondContact N-O 2.84Å; T41-V76 PolarHBondContact OG1-O 2.74Å; T41-L78 WeakPolarHBondContact O-CB 3.37Å; T41-L78 PolarHBondContact O-N 3.21Å
42P76.7Confident80.2Confident57 Ų5747.7 Ų47.737%0.3730%0.298SS..  trans-62.6157.217926.4-33.4000110.9P46 T50 C54P42-P46 HydrophobicContact CB-CB 4.28Å; P42-T50 HydrophobicContact CB-CG2 4.09Å; P42-C54 HydrophobicContact CB-CB 4.43Å; P42-C54 HydrophobicContact CG-CB 4.26Å
43P69.6Low78.6Confident69 Ų6943.9 Ų43.945%0.44827%0.272SS..  trans-60.7160.6172.227.5-34.2000110.8T45 P46P43-T45 PolarHBondContact O-N 3.46Å; P43-P46 WeakPolarHBondContact O-CD 3.35Å
44T67.4Low77Confident146 Ų14644.4 Ų44.490%0.89628%0.277SS*.SBendtrans-56.7-25.6-177.846.80000114
45T67Low75.5Confident118 Ų11845.3 Ų45.372%0.72428%0.28SS*.SBendtrans-125.881.7174.951.90000109.1P43P43-T45 PolarHBondContact O-N 3.46Å
46P63.8Low74Confident52 Ų5250.4 Ų50.434%0.33832%0.316SS..  trans-69.6144.4179.328.7-31.7000110.4P42 P43 T50 T51P42-P46 HydrophobicContact CB-CB 4.28Å; P43-P46 WeakPolarHBondContact O-CD 3.35Å; P46-T50 HydrophobicContact CB-CG2 4.06Å; P46-T51 WeakPolarHBondContact CB-OG1 3.41Å; P46-T51 WeakPolarHBondContact CG-OG1 3.43Å
47S67.8Low73.2Confident61 Ų6151.1 Ų51.143%0.42732%0.319SS..  trans-65.6158.516670.20000109.7T49 T50 T51S47-T49 PolarHBondContact O-N 3.32Å; S47-T49 VanDerWaalsContact O-N 3.14Å; S47-T50 PolarHBondContact O-N 2.94Å; S47-T50 PolarHBondContact OG-N 2.98Å; S47-T50 VanDerWaalsContact OG-N 3.1Å; S47-T50 PolarHBondContact OG-OG1 3.43Å; S47-T51 PolarHBondContact O-N 3.09Å; S47-T51 PolarHBondContact O-OG1 3.21Å; S47-T51 VanDerWaalsContact O-OG1 3.1Å
48T64.7Low72.5Confident105 Ų10554.2 Ų54.264%0.64435%0.345SS*.Hα-helixtrans-50.6-40.4174.1-49.80000111.5T51 L52T48-T51 PolarHBondContact O-N 3.13Å; T48-L52 WeakPolarHBondContact O-CG 3.29Å; T48-L52 PolarHBondContact O-N 3.05Å
49T63.2Low71.7Confident67 Ų6760.2 Ų60.241%0.41137%0.373SS..Hα-helixtrans-66.4-43.3178.9-30.80000112.3S47 T51 L52 A53 L93S47-T49 PolarHBondContact O-N 3.32Å; S47-T49 VanDerWaalsContact O-N 3.14Å; T49-T51 VanDerWaalsContact C-N 3.34Å; T49-L52 PolarHBondContact O-N 3Å; T49-A53 PolarHBondContact O-N 2.87Å; T49-A53 VanDerWaalsContact O-N 3.13Å; T49-L93 HydrophobicContact CG2-CD2 3.41Å; T49-L93 VanDerWaalsContact CG2-CD2 3.41Å
50T66.6Low71.4Confident17 Ų1759.5 Ų59.510%0.10437%0.368CS..Hα-helixtrans-64.8-39.2174.3-56.90000111.1P42 P46 S47 L52 A53 C54 L78P42-T50 HydrophobicContact CB-CG2 4.09Å; P46-T50 HydrophobicContact CB-CG2 4.06Å; S47-T50 PolarHBondContact O-N 2.94Å; S47-T50 PolarHBondContact OG-N 2.98Å; S47-T50 VanDerWaalsContact OG-N 3.1Å; S47-T50 PolarHBondContact OG-OG1 3.43Å; T50-L52 VanDerWaalsContact C-N 3.34Å; T50-L52 PolarHBondContact O-N 3.35Å; T50-A53 PolarHBondContact O-N 2.94Å; T50-C54 VanDerWaalsContact O-CB 3.22Å; T50-C54 WeakPolarHBondContact O-CB 3.43Å; T50-C54 PolarHBondContact O-N 2.64Å; T50-C54 PolarHBondContact O-SG 3.16Å; T50-C54 VanDerWaalsContact O-SG 3.39Å; T50-L78 HydrophobicContact CG2-CD2 4.01Å
51T68.1Low71.4Confident71 Ų7159.8 Ų59.844%0.43637%0.37SS..Hα-helixtrans-62.4-40175.8-57.80000112P46 S47 T48 T49 C54P46-T51 WeakPolarHBondContact CB-OG1 3.41Å; P46-T51 WeakPolarHBondContact CG-OG1 3.43Å; S47-T51 PolarHBondContact O-N 3.09Å; S47-T51 PolarHBondContact O-OG1 3.21Å; S47-T51 VanDerWaalsContact O-OG1 3.1Å; T48-T51 PolarHBondContact O-N 3.13Å; T49-T51 VanDerWaalsContact C-N 3.34Å; T51-C54 CarbonylContact O-C 3.58Å; T51-C54 VanDerWaalsContact O-C 3.27Å; T51-C54 PolarHBondContact O-N 3.2Å; T51-C54 VanDerWaalsContact O-O 3.14Å
52L63.9Low71.6Confident40 Ų4060.7 Ų60.721%0.20938%0.381CS..Hα-helixtrans-66.6-34.8176.1-74.3176.5000113.1T48 T49 T50 L315T48-L52 WeakPolarHBondContact O-CG 3.29Å; T48-L52 PolarHBondContact O-N 3.05Å; T49-L52 PolarHBondContact O-N 3Å; T50-L52 VanDerWaalsContact C-N 3.34Å; T50-L52 PolarHBondContact O-N 3.35Å; L52-L315 HydrophobicContact CD2-CD1 4.15Å
53A60.2Low72.2Confident6 Ų660.1 Ų60.15%0.0538%0.377CS..Hα-helixtrans-76.7-37.417500000112T49 T50 N55 L93 L97T49-A53 PolarHBondContact O-N 2.87Å; T49-A53 VanDerWaalsContact O-N 3.13Å; T50-A53 PolarHBondContact O-N 2.94Å; A53-N55 PolarHBondContact O-N 3.44Å; A53-L93 HydrophobicContact CB-CD2 4.27Å; A53-L97 HydrophobicContact CB-CD1 3.98Å
54C61.7Low73.3Confident20 Ų2056.9 Ų56.914%0.13536%0.356CS..SBendtrans-93.668.9178.2-610000110.5P42 T50 T51 S56P42-C54 HydrophobicContact CB-CB 4.43Å; P42-C54 HydrophobicContact CG-CB 4.26Å; T50-C54 VanDerWaalsContact O-CB 3.22Å; T50-C54 WeakPolarHBondContact O-CB 3.43Å; T50-C54 PolarHBondContact O-N 2.64Å; T50-C54 PolarHBondContact O-SG 3.16Å; T50-C54 VanDerWaalsContact O-SG 3.39Å; T51-C54 CarbonylContact O-C 3.58Å; T51-C54 VanDerWaalsContact O-C 3.27Å; T51-C54 PolarHBondContact O-N 3.2Å; T51-C54 VanDerWaalsContact O-O 3.14Å; C54-S56 PolarHBondContact O-N 3.48Å
55N63.8Low74.6Confident37 Ų3753.4 Ų53.420%0.19833%0.334CS..  trans-47.3135.4169.7-77-20.7000110.3R13 A53 N57R13-N55 HydrophobicContact CB-CB 4.36Å; A53-N55 PolarHBondContact O-N 3.44Å; N55-N57 PolarHBondContact O-N 2.93Å; N55-N57 PolarHBondContact O-ND2 3.2Å
56S68.1Low75.9Confident108 Ų10851.8 Ų51.876%0.75533%0.333SS*.  trans-63.6101.6176.6-178.90000109.9C54C54-S56 PolarHBondContact O-N 3.48Å
57N80.7Confident77.2Confident25 Ų2553.8 Ų53.813%0.13434%0.344CS..  trans-97.810.5175.3-64.9-46.4000111.7L16 N55 Q59 Y60 I61L16-N57 HydrophobicContact CD2-CB 3.41Å; L16-N57 VanDerWaalsContact CD2-CB 3.41Å; L16-N57 VanDerWaalsContact CD2-CG 3.49Å; L16-N57 WeakPolarHBondContact CD2-ND2 3.28Å; N55-N57 PolarHBondContact O-N 2.93Å; N55-N57 PolarHBondContact O-ND2 3.2Å; N57-Q59 PolarHBondContact O-N 3.13Å; N57-Y60 PolarHBondContact O-N 3.33Å; N57-I61 HydrophobicContact CB-CD1 4.16Å; N57-I61 HydrophobicContact CB-CG1 4.42Å; N57-I61 WeakPolarHBondContact O-CB 3.4Å; N57-I61 VanDerWaalsContact O-CG1 3.32Å; N57-I61 WeakPolarHBondContact O-CG1 3.32Å; N57-I61 PolarHBondContact O-N 3.27Å
58A82.7Confident78.4Confident65 Ų6552.3 Ų52.354%0.53733%0.333SS..Hα-helixtrans-60.2-45.3-171.600000112.4I61 A62A58-I61 PolarHBondContact O-N 3.46Å; A58-A62 VanDerWaalsContact O-CB 3.3Å; A58-A62 WeakPolarHBondContact O-CB 3.3Å; A58-A62 PolarHBondContact O-N 3Å
59Q81.5Confident79.7Confident128 Ų12852.2 Ų52.260%0.59833%0.334SS*.Hα-helixtrans-64.7-43.6177.2-173.7178.84.100111.4N57 A62 T63N57-Q59 PolarHBondContact O-N 3.13Å; Q59-A62 PolarHBondContact O-N 3.32Å; Q59-T63 WeakPolarHBondContact O-CB 3.45Å; Q59-T63 PolarHBondContact O-N 2.63Å; Q59-T63 PolarHBondContact O-OG1 3.48Å
60Y86.3Confident81.2Confident7 Ų752.5 Ų52.53%0.02734%0.339CS..Hα-helixtrans-61.5-48177.4179.4-116.7000111.8L16 V17 V20 E21 N57 A62 T63 V64 Y258L16-Y60 HydrophobicContact CD2-CD1 4.31Å; L16-Y60 HydrophobicContact CG-CE1 4.46Å; V17-Y60 HydrophobicContact CB-CE1 4.23Å; V17-Y60 HydrophobicContact CG2-CD1 4.01Å; V17-Y60 HydrophobicContact CG2-CE1 3.64Å; V17-Y60 HydrophobicContact CG2-CE2 4.43Å; V20-Y60 HydrophobicContact CB-CE1 4.07Å; V20-Y60 HydrophobicContact CG1-CE1 4.19Å; V20-Y60 VanDerWaalsContact CG1-OH 3.3Å; V20-Y60 WeakPolarHBondContact CG1-OH 3.12Å; V20-Y60 HydrophobicContact CG2-CE1 3.98Å; E21-Y60 PolarHBondContact OE1-OH 2.93Å; N57-Y60 PolarHBondContact O-N 3.33Å; Y60-A62 VanDerWaalsContact C-N 3.33Å; Y60-A62 PolarHBondContact O-N 3.43Å; Y60-T63 PolarHBondContact O-N 3.13Å; Y60-V64 HydrophobicContact CD2-CG2 4.21Å; Y60-V64 HydrophobicContact CE1-CG2 4.17Å; Y60-V64 HydrophobicContact CE2-CG2 3.87Å; Y60-V64 VanDerWaalsContact O-CG2 3.27Å; Y60-V64 WeakPolarHBondContact O-CG2 3.27Å; Y60-V64 PolarHBondContact O-N 2.86Å; Y60-Y258 HydrophobicContact CD2-CD1 4.15Å; Y60-Y258 HydrophobicContact CD2-CD2 4.23Å; Y60-Y258 AromaticContact CD2-CE1 3.6Å; Y60-Y258 HydrophobicContact CD2-CE1 3.6Å; Y60-Y258 AromaticContact CD2-CE2 3.67Å; Y60-Y258 HydrophobicContact CD2-CE2 3.67Å; Y60-Y258 HydrophobicContact CD2-CG 4.42Å; Y60-Y258 AromaticContact CD2-CZ 3.28Å; Y60-Y258 VanDerWaalsContact CD2-OH 3.25Å; Y60-Y258 WeakPolarHBondContact CD2-OH 3.2Å; Y60-Y258 HydrophobicContact CE2-CD1 4.11Å; Y60-Y258 AromaticContact CE2-CE1 3.7Å; Y60-Y258 HydrophobicContact CE2-CE1 3.7Å; Y60-Y258 AromaticContact CE2-CZ 3.9Å; Y60-Y258 HydrophobicContact CG-CE2 4.44Å
61I90Very high82.6Confident17 Ų1751.8 Ų51.89%0.08733%0.334CS..Hα-helixtrans-60-42.7176.2-70.2170000111L16 I39 N57 A58 V64 T65 F73L16-I61 HydrophobicContact CD2-CD1 4.07Å; L16-I61 HydrophobicContact CD2-CG1 4.08Å; I39-I61 HydrophobicContact CG2-CD1 4.4Å; N57-I61 HydrophobicContact CB-CD1 4.16Å; N57-I61 HydrophobicContact CB-CG1 4.42Å; N57-I61 WeakPolarHBondContact O-CB 3.4Å; N57-I61 VanDerWaalsContact O-CG1 3.32Å; N57-I61 WeakPolarHBondContact O-CG1 3.32Å; N57-I61 PolarHBondContact O-N 3.27Å; A58-I61 PolarHBondContact O-N 3.46Å; I61-V64 PolarHBondContact O-N 3.46Å; I61-T65 WeakPolarHBondContact O-CB 3.13Å; I61-T65 PolarHBondContact O-N 2.9Å; I61-T65 PolarHBondContact O-OG1 3.42Å; I61-F73 HydrophobicContact CG1-CD1 4.34Å; I61-F73 HydrophobicContact CG1-CE1 4.09Å; I61-F73 HydrophobicContact CG1-CZ 4.32Å; I61-F73 HydrophobicContact CG2-CB 4.38Å; I61-F73 HydrophobicContact CG2-CD1 4.2Å; I61-F73 HydrophobicContact CG2-CD2 3.7Å; I61-F73 HydrophobicContact CG2-CE1 4.39Å; I61-F73 HydrophobicContact CG2-CE2 3.93Å; I61-F73 HydrophobicContact CG2-CG 3.83Å; I61-F73 HydrophobicContact CG2-CZ 4.26Å
62A89.8Confident84Confident58 Ų5851.8 Ų51.848%0.47933%0.334SS..Hα-helixtrans-62.6-45.3177.200000111.6A58 Q59 Y60 T65 A66A58-A62 VanDerWaalsContact O-CB 3.3Å; A58-A62 WeakPolarHBondContact O-CB 3.3Å; A58-A62 PolarHBondContact O-N 3Å; Q59-A62 PolarHBondContact O-N 3.32Å; Y60-A62 VanDerWaalsContact C-N 3.33Å; Y60-A62 PolarHBondContact O-N 3.43Å; A62-T65 PolarHBondContact O-N 2.99Å; A62-A66 WeakPolarHBondContact O-CB 3.48Å; A62-A66 PolarHBondContact O-N 2.79Å
63T90.2Very high85.5Confident46 Ų4651.6 Ų51.628%0.28233%0.332SS..Hα-helixtrans-58.9-48.5175.3-62.10000111.2Q59 Y60 T65 A66 T67Q59-T63 WeakPolarHBondContact O-CB 3.45Å; Q59-T63 PolarHBondContact O-N 2.63Å; Q59-T63 PolarHBondContact O-OG1 3.48Å; Y60-T63 PolarHBondContact O-N 3.13Å; T63-T65 PolarHBondContact O-N 2.82Å; T63-A66 PolarHBondContact O-N 3.35Å; T63-T67 HydrophobicContact CG2-CG2 4.41Å; T63-T67 WeakPolarHBondContact O-CG2 3.27Å; T63-T67 PolarHBondContact O-N 2.9Å; T63-T67 PolarHBondContact O-OG1 2.96Å
64V93.1Very high87.2Confident1 Ų154.1 Ų54.11%0.00634%0.342CS..Hα-helixtrans-64.3-40.6179176.30000111.3V20 Y60 I61 A66 T67 T68 I71 F73V20-V64 HydrophobicContact CG1-CB 4.45Å; V20-V64 HydrophobicContact CG1-CG1 3.82Å; V20-V64 HydrophobicContact CG1-CG2 3.79Å; Y60-V64 HydrophobicContact CD2-CG2 4.21Å; Y60-V64 HydrophobicContact CE1-CG2 4.17Å; Y60-V64 HydrophobicContact CE2-CG2 3.87Å; Y60-V64 VanDerWaalsContact O-CG2 3.27Å; Y60-V64 WeakPolarHBondContact O-CG2 3.27Å; Y60-V64 PolarHBondContact O-N 2.86Å; I61-V64 PolarHBondContact O-N 3.46Å; V64-A66 VanDerWaalsContact C-N 3.26Å; V64-A66 PolarHBondContact O-N 3.42Å; V64-T67 PolarHBondContact O-N 3.17Å; V64-T68 CarbonylContact O-C 3.6Å; V64-T68 WeakPolarHBondContact O-CA 3.36Å; V64-T68 PolarHBondContact O-N 2.85Å; V64-I71 HydrophobicContact CG1-CB 4.5Å; V64-I71 HydrophobicContact CG1-CD1 4.27Å; V64-I71 HydrophobicContact CG1-CG2 4.38Å; V64-F73 HydrophobicContact CB-CE2 4Å; V64-F73 HydrophobicContact CB-CZ 3.96Å; V64-F73 HydrophobicContact CG1-CE2 3.79Å; V64-F73 HydrophobicContact CG1-CZ 3.7Å
65T93.8Very high88.7Confident72 Ų7261.4 Ų61.444%0.44237%0.367SS..Hα-helixtrans-61.1-38.4176.8-57.10000111.2I61 A62 T63 F73I61-T65 WeakPolarHBondContact O-CB 3.13Å; I61-T65 PolarHBondContact O-N 2.9Å; I61-T65 PolarHBondContact O-OG1 3.42Å; A62-T65 PolarHBondContact O-N 2.99Å; T63-T65 PolarHBondContact O-N 2.82Å; T65-F73 WeakPolarHBondContact OG1-CD2 3.46Å
66A93.1Very high90.1Very high84 Ų8459.8 Ų59.869%0.69436%0.359SS*.Hα-helixtrans-74.7-37.1178.700000113.1A62 T63 V64A62-A66 WeakPolarHBondContact O-CB 3.48Å; A62-A66 PolarHBondContact O-N 2.79Å; T63-A66 PolarHBondContact O-N 3.35Å; V64-A66 VanDerWaalsContact C-N 3.26Å; V64-A66 PolarHBondContact O-N 3.42Å
67T92.1Very high91.3Very high94 Ų9458.7 Ų58.758%0.57735%0.349SS*.Hα-helixtrans-95.4-20.3-17460.40000114.2T63 V64T63-T67 HydrophobicContact CG2-CG2 4.41Å; T63-T67 WeakPolarHBondContact O-CG2 3.27Å; T63-T67 PolarHBondContact O-N 2.9Å; T63-T67 PolarHBondContact O-OG1 2.96Å; V64-T67 PolarHBondContact O-N 3.17Å
68T93.1Very high91.8Very high31 Ų3158.6 Ų58.619%0.1935%0.349CS..  trans-137.271.1-177.7-460000111.1K24 L27 V64 S70 I71K24-T68 HydrophobicContact CG-CG2 4.38Å; L27-T68 HydrophobicContact CD1-CG2 4.35Å; V64-T68 CarbonylContact O-C 3.6Å; V64-T68 WeakPolarHBondContact O-CA 3.36Å; V64-T68 PolarHBondContact O-N 2.85Å; T68-S70 PolarHBondContact O-N 2.9Å; T68-I71 HydrophobicContact CG2-CB 4.41Å; T68-I71 HydrophobicContact CG2-CD1 3.78Å; T68-I71 HydrophobicContact CG2-CG1 3.79Å; T68-I71 PolarHBondContact O-N 2.68Å
69P91.7Very high92.1Very high103 Ų10356.6 Ų56.667%0.66933%0.332SS*.THydrogen-bonded Turntrans-64.3-12.6-17526-35.9000114.8
70S93.7Very high92.3Very high72 Ų7254.9 Ų54.950%0.50334%0.34SS..THydrogen-bonded Turntrans-74.8-12.7171.6-62.30000113.5I35 T68I35-S70 PolarHBondContact N-O 3.33Å; T68-S70 PolarHBondContact O-N 2.9Å
71I97Very high92.3Very high2 Ų257.2 Ų57.21%0.0135%0.352CS..EExtended strand (participates in β ladder)trans-95.4124.4167.7-63.1178.3000107.9K24 L27 I35 I37 V64 T68 F73K24-I71 HydrophobicContact CG-CD1 3.64Å; L27-I71 HydrophobicContact CD1-CD1 4.18Å; L27-I71 HydrophobicContact CD1-CG1 3.46Å; L27-I71 VanDerWaalsContact CD1-CG1 3.46Å; I35-I71 HydrophobicContact CB-CG1 4.13Å; I35-I71 HydrophobicContact CG2-CG1 4.3Å; I35-I71 HydrophobicContact CG2-CG2 4.4Å; I37-I71 HydrophobicContact CD1-CG2 3.59Å; I37-I71 HydrophobicContact CG1-CG2 3.93Å; V64-I71 HydrophobicContact CG1-CB 4.5Å; V64-I71 HydrophobicContact CG1-CD1 4.27Å; V64-I71 HydrophobicContact CG1-CG2 4.38Å; T68-I71 HydrophobicContact CG2-CB 4.41Å; T68-I71 HydrophobicContact CG2-CD1 3.78Å; T68-I71 HydrophobicContact CG2-CG1 3.79Å; T68-I71 PolarHBondContact O-N 2.68Å; I71-F73 HydrophobicContact CG2-CE2 4.09Å; I71-F73 HydrophobicContact CG2-CZ 4.1Å
72T96.9Very high92.2Very high71 Ų7158.9 Ų58.944%0.43636%0.364SS..EExtended strand (participates in β ladder)trans-112.8139.6174.161.60000110.4I35 T36 I37I35-T72 PolarHBondContact O-N 3.14Å; I35-T72 PolarHBondContact O-OG1 3.11Å; T36-T72 CarbonylContact C-O 3.52Å; T36-T72 WeakPolarHBondContact CA-O 3.39Å; T36-T72 PolarHBondContact OG1-OG1 2.99Å; I37-T72 PolarHBondContact N-O 2.72Å
73F96Very high91.8Very high36 Ų3667.1 Ų67.116%0.15839%0.39CS..EExtended strand (participates in β ladder)trans-102.7119.3176.5-65.1-85.6000109.8L16 V20 I37 I39 I61 V64 T65 I71L16-F73 HydrophobicContact CD1-CE1 4.47Å; V20-F73 HydrophobicContact CG2-CE1 3.92Å; V20-F73 HydrophobicContact CG2-CZ 4.03Å; I37-F73 HydrophobicContact CB-CD1 3.97Å; I37-F73 HydrophobicContact CB-CE1 4.19Å; I37-F73 HydrophobicContact CD1-CE1 3.94Å; I37-F73 HydrophobicContact CD1-CZ 4.42Å; I37-F73 HydrophobicContact CG2-CD1 4.33Å; I37-F73 HydrophobicContact CG2-CE1 4.4Å; I37-F73 WeakPolarHBondContact O-CA 3.35Å; I39-F73 HydrophobicContact CD1-CD1 4.01Å; I39-F73 HydrophobicContact CD1-CE1 4.44Å; I39-F73 HydrophobicContact CG1-CB 4.39Å; I39-F73 HydrophobicContact CG1-CD1 3.74Å; I61-F73 HydrophobicContact CG1-CD1 4.34Å; I61-F73 HydrophobicContact CG1-CE1 4.09Å; I61-F73 HydrophobicContact CG1-CZ 4.32Å; I61-F73 HydrophobicContact CG2-CB 4.38Å; I61-F73 HydrophobicContact CG2-CD1 4.2Å; I61-F73 HydrophobicContact CG2-CD2 3.7Å; I61-F73 HydrophobicContact CG2-CE1 4.39Å; I61-F73 HydrophobicContact CG2-CE2 3.93Å; I61-F73 HydrophobicContact CG2-CG 3.83Å; I61-F73 HydrophobicContact CG2-CZ 4.26Å; V64-F73 HydrophobicContact CB-CE2 4Å; V64-F73 HydrophobicContact CB-CZ 3.96Å; V64-F73 HydrophobicContact CG1-CE2 3.79Å; V64-F73 HydrophobicContact CG1-CZ 3.7Å; T65-F73 WeakPolarHBondContact OG1-CD2 3.46Å; I71-F73 HydrophobicContact CG2-CE2 4.09Å; I71-F73 HydrophobicContact CG2-CZ 4.1Å
74H95.3Very high91.6Very high59 Ų5971.4 Ų71.427%0.27341%0.411SS..EExtended strand (participates in β ladder)trans-103.4111.6177-168.189.7000109.5T36 I37 L38 I39T36-H74 HydrophobicContact CG2-CB 3.94Å; I37-H74 PolarHBondContact O-N 2.81Å; L38-H74 WeakPolarHBondContact CA-O 3.42Å; L38-H74 HydrophobicContact CD2-CB 3.89Å; I39-H74 PolarHBondContact N-O 3.07Å
75R93.6Very high91.2Very high173 Ų17372.9 Ų72.965%0.65342%0.42SS*.EExtended strand (participates in β ladder)trans-79.7128.1-177.6-69.6-179.9173.6111.80.5110.4I39 T41I39-R75 CarbonylContact O-C 3.57Å; I39-R75 WeakPolarHBondContact O-CA 3.22Å; T41-R75 HydrophobicContact CG2-CB 3.77Å; T41-R75 HydrophobicContact CG2-CG 3.71Å
76V94.3Very high90.7Very high3 Ų372 Ų722%0.01842%0.415CS..EExtended strand (participates in β ladder)trans-118.7131.6177.8-176.10000108.5I39 L40 T41 L78 N104 I105 A108I39-V76 PolarHBondContact O-N 2.95Å; L40-V76 CarbonylContact C-O 3.53Å; L40-V76 VanDerWaalsContact CA-O 3.31Å; L40-V76 WeakPolarHBondContact CA-O 3.45Å; L40-V76 HydrophobicContact CD2-CB 4.16Å; L40-V76 HydrophobicContact CD2-CG1 4.13Å; T41-V76 PolarHBondContact N-O 2.84Å; T41-V76 PolarHBondContact OG1-O 2.74Å; V76-L78 PolarHBondContact O-N 2.63Å; V76-N104 HydrophobicContact CG1-CB 3.58Å; V76-I105 HydrophobicContact CB-CD1 3.91Å; V76-I105 HydrophobicContact CG1-CD1 3.8Å; V76-I105 HydrophobicContact CG1-CG1 4.46Å; V76-I105 HydrophobicContact CG2-CD1 3.9Å; V76-A108 HydrophobicContact CG2-CB 3.64Å
77P92.2Very high90.2Very high86 Ų8677.5 Ų77.556%0.55842%0.424SS*.EExtended strand (participates in β ladder)trans-63.1135.1177.2-2334.1000111.6N104P77-N104 PolarHBondContact O-ND2 2.89Å
78L91Very high89.9Confident23 Ų2373.6 Ų73.612%0.1240%0.399CS..PPolyproline II helixtrans-69.8135.6171.8-168.968.5000110.5L11 L40 T41 T50 V76 L97 S101L11-L78 HydrophobicContact CD1-CD1 4.1Å; L40-L78 HydrophobicContact CB-CD1 4.02Å; L40-L78 HydrophobicContact CD1-CD1 3.9Å; L40-L78 HydrophobicContact CD2-CD1 4.43Å; L40-L78 HydrophobicContact CG-CD1 4.36Å; T41-L78 WeakPolarHBondContact O-CB 3.37Å; T41-L78 PolarHBondContact O-N 3.21Å; T50-L78 HydrophobicContact CG2-CD2 4.01Å; V76-L78 PolarHBondContact O-N 2.63Å; L78-L97 HydrophobicContact CD1-CB 4.06Å; L78-L97 HydrophobicContact CD1-CD2 4.36Å; L78-L97 HydrophobicContact CD2-CD2 3.86Å; L78-L97 HydrophobicContact CG-CD2 4.26Å; L78-S101 WeakPolarHBondContact CD1-OG 3.35Å
79A90.1Very high89.4Confident22 Ų2274 Ų7418%0.18240%0.403CS..PPolyproline II helixtrans-73.4148.1172.200000111H100 S101A79-H100 HydrophobicContact CB-CB 4.15Å; A79-H100 WeakPolarHBondContact CB-O 3.27Å; A79-S101 PolarHBondContact N-OG 2.97Å
80A85.4Confident88.9Confident93 Ų9371.7 Ų71.777%0.76939%0.387SS*.PPolyproline II helixtrans-69.1139.2170.800000110.1
81L86.4Confident88.4Confident55 Ų5569.8 Ų69.829%0.28837%0.371SS..PPolyproline II helixtrans-73.7137.8172.3-67.2178.1000110.3T85 L93 E96 L97 H100L81-T85 HydrophobicContact CD1-CG2 4.32Å; L81-L93 HydrophobicContact CD1-CD1 3.84Å; L81-E96 HydrophobicContact CD2-CB 3.91Å; L81-L97 HydrophobicContact CD1-CD2 3.65Å; L81-L97 HydrophobicContact CD1-CG 4.2Å; L81-L97 HydrophobicContact CD2-CD2 3.84Å; L81-L97 HydrophobicContact CD2-CG 4.39Å; L81-L97 HydrophobicContact CG-CD2 3.61Å; L81-L97 HydrophobicContact CG-CG 4.48Å; L81-H100 WeakPolarHBondContact CD2-ND1 3.46Å
82P86.5Confident88Confident52 Ų5270.1 Ų70.134%0.33837%0.372SS..PPolyproline II helixtrans-56.2148.9168-26.536.1000112.6N84 T85 H100P82-N84 WeakPolarHBondContact CB-OD1 3.47Å; P82-N84 PolarHBondContact O-N 3.28Å; P82-N84 VanDerWaalsContact O-N 3.08Å; P82-T85 WeakPolarHBondContact CD-OG1 3.14Å; P82-T85 WeakPolarHBondContact O-CB 3.21Å; P82-T85 PolarHBondContact O-N 3.19Å; P82-T85 VanDerWaalsContact O-N 3.08Å; P82-T85 PolarHBondContact O-OG1 2.94Å; P82-T85 VanDerWaalsContact O-OG1 3.07Å; P82-H100 VanDerWaalsContact CD-CE1 3.48Å; P82-H100 WeakPolarHBondContact CD-CE1 3.34Å; P82-H100 VanDerWaalsContact CD-NE2 3.26Å; P82-H100 WeakPolarHBondContact CD-NE2 3.21Å; P82-H100 WeakPolarHBondContact CG-NE2 3.47Å
83F82.9Confident87.6Confident232 Ų23267.3 Ų67.3100%1.01836%0.355SS*.THydrogen-bonded Turntrans-60.1-21.3178.1-69.6-74.9000114.1
84N85.9Confident87.2Confident136 Ų13665.9 Ų65.973%0.72735%0.349SS*.THydrogen-bonded Turntrans-97.412.3179.867.5-31.1000113.6P82P82-N84 WeakPolarHBondContact CB-OD1 3.47Å; P82-N84 PolarHBondContact O-N 3.28Å; P82-N84 VanDerWaalsContact O-N 3.08Å
85T83.7Confident87Confident31 Ų3163.1 Ų63.119%0.1934%0.336CS..  trans-59.3131.1173.9-66.10000110.2L81 P82 E96L81-T85 HydrophobicContact CD1-CG2 4.32Å; P82-T85 WeakPolarHBondContact CD-OG1 3.14Å; P82-T85 WeakPolarHBondContact O-CB 3.21Å; P82-T85 PolarHBondContact O-N 3.19Å; P82-T85 VanDerWaalsContact O-N 3.08Å; P82-T85 PolarHBondContact O-OG1 2.94Å; P82-T85 VanDerWaalsContact O-OG1 3.07Å; T85-E96 HydrophobicContact CG2-CB 3.94Å; T85-E96 HydrophobicContact CG2-CG 3.77Å
86P83Confident86.9Confident53 Ų5355 Ų5534%0.34431%0.306SS..  trans-55.3146.3177.7-25.634.2000112.3L88 Y203P86-L88 PolarHBondContact O-N 3.01Å; P86-Y203 HydrophobicContact CG-CD2 4.26Å; P86-Y203 HydrophobicContact CG-CE1 4.48Å; P86-Y203 HydrophobicContact CG-CE2 4.16Å; P86-Y203 HydrophobicContact CG-CG 4.45Å
87F83.5Confident86.7Confident201 Ų20155 Ų5588%0.88231%0.306SS*.  trans-68.8115.5170.1-176-94.9000109.1
88L85.2Confident86.7Confident11 Ų1151 Ų516%0.05828%0.28CS..  trans-114.5145.7178.9-66.8175000110.3P86 L92 E96 Y203 V204P86-L88 PolarHBondContact O-N 3.01Å; L88-L92 HydrophobicContact CB-CB 4.25Å; L88-E96 HydrophobicContact CD1-CB 4.46Å; L88-E96 HydrophobicContact CD1-CG 3.63Å; L88-Y203 HydrophobicContact CD1-CE1 4.11Å; L88-Y203 HydrophobicContact CD2-CD1 3.75Å; L88-Y203 HydrophobicContact CD2-CE1 3.85Å; L88-Y203 HydrophobicContact CG-CE1 4.48Å; L88-V204 HydrophobicContact CD2-CG2 4.22Å
89P83.3Confident86.7Confident41 Ų4153.6 Ų53.627%0.26629%0.288SS..  trans-52.3148.5166.2-25.234.5000111.1H91 L92 L93 E196P89-H91 PolarHBondContact O-N 3.37Å; P89-L92 PolarHBondContact O-N 2.93Å; P89-L93 PolarHBondContact O-N 3.07Å; P89-E196 HydrophobicContact CG-CG 4.19Å
90P81.3Confident86.9Confident53 Ų5354.8 Ų54.834%0.34429%0.289SS..THydrogen-bonded Turntrans-52.8-33.5-175.5-30.535.7000115.2L92 M285P90-L92 VanDerWaalsContact C-N 3.29Å; P90-L92 PolarHBondContact O-N 3.27Å; P90-M285 HydrophobicContact CB-CE 4Å
91H82.1Confident87.3Confident33 Ų3350.3 Ų50.315%0.15325%0.253CS..THydrogen-bonded Turntrans-75.2-14.5179.969.3-86.2000114P89 E196 M285 Y389P89-H91 PolarHBondContact O-N 3.37Å; H91-E196 IonicContact CE1-OE1 3Å; H91-E196 PolarHBondContact CE1-OE1 2.77Å; H91-E196 IonicContact NE2-OE1 2.63Å; H91-E196 PolarHBondContact NE2-OE1 2.88Å; H91-E196 IonicContact NE2-OE2 3.75Å; H91-M285 HydrophobicContact CB-CE 3.73Å; H91-M285 HydrophobicContact CB-SD 3.88Å; H91-Y389 HydrophobicContact CB-CD2 4.22Å
92L89Confident87.6Confident8 Ų848.5 Ų48.54%0.04224%0.244CC..THydrogen-bonded Turntrans-105.5-12176.5-64.7-174.6000113.3L88 P89 P90 S94 L95 E196 V204L88-L92 HydrophobicContact CB-CB 4.25Å; P89-L92 PolarHBondContact O-N 2.93Å; P90-L92 VanDerWaalsContact C-N 3.29Å; P90-L92 PolarHBondContact O-N 3.27Å; L92-S94 PolarHBondContact O-N 3.39Å; L92-S94 VanDerWaalsContact O-N 3.14Å; L92-L95 HydrophobicContact CB-CD1 4.13Å; L92-L95 HydrophobicContact CD2-CD1 3.94Å; L92-L95 VanDerWaalsContact O-CB 3.24Å; L92-L95 WeakPolarHBondContact O-CB 3.48Å; L92-L95 WeakPolarHBondContact O-CG 3.42Å; L92-L95 PolarHBondContact O-N 3.34Å; L92-E196 HydrophobicContact CD1-CB 4.14Å; L92-E196 HydrophobicContact CD1-CG 3.81Å; L92-V204 HydrophobicContact CD1-CB 4.33Å; L92-V204 HydrophobicContact CD1-CG1 3.75Å; L92-V204 HydrophobicContact CD1-CG2 3.56Å
93L88Confident88Confident13 Ų1351.3 Ų51.37%0.06825%0.253CS..Hα-helixtrans-59.1-28.6178.7-175.564.9000112.7T49 A53 L81 P89 L95 E96 L97T49-L93 HydrophobicContact CG2-CD2 3.41Å; T49-L93 VanDerWaalsContact CG2-CD2 3.41Å; A53-L93 HydrophobicContact CB-CD2 4.27Å; L81-L93 HydrophobicContact CD1-CD1 3.84Å; P89-L93 PolarHBondContact O-N 3.07Å; L93-L95 PolarHBondContact O-N 3.38Å; L93-E96 PolarHBondContact O-N 3.42Å; L93-L97 HydrophobicContact CD2-CD1 4.2Å; L93-L97 HydrophobicContact CG-CD1 3.95Å; L93-L97 HydrophobicContact CG-CG 4.2Å; L93-L97 WeakPolarHBondContact O-CG 3.03Å; L93-L97 PolarHBondContact O-N 3.18Å; L93-L97 VanDerWaalsContact O-N 3.15Å
94S88.9Confident88.6Confident6 Ų643 Ų434%0.04222%0.219CC..Hα-helixtrans-55.4-35.2176.360.40000112.4N10 L92 E96 L97 T98N10-S94 PolarHBondContact ND2-OG 3.36Å; N10-S94 WeakPolarHBondContact OD1-CB 3.36Å; L92-S94 PolarHBondContact O-N 3.39Å; L92-S94 VanDerWaalsContact O-N 3.14Å; S94-E96 PolarHBondContact O-N 3.18Å; S94-L97 PolarHBondContact O-N 2.7Å; S94-T98 WeakPolarHBondContact O-CG2 3.41Å; S94-T98 PolarHBondContact O-N 3.47Å; S94-T98 PolarHBondContact O-OG1 2.72Å; S94-T98 VanDerWaalsContact O-OG1 3.04Å
95L91.4Very high89.1Confident1 Ų136.5 Ų36.51%0.00518%0.184CC..Hα-helixtrans-55.2-50.2177-66.7168.6000111.7L92 L93 T98 R99 M126 F128 V207 I211L92-L95 HydrophobicContact CB-CD1 4.13Å; L92-L95 HydrophobicContact CD2-CD1 3.94Å; L92-L95 VanDerWaalsContact O-CB 3.24Å; L92-L95 WeakPolarHBondContact O-CB 3.48Å; L92-L95 WeakPolarHBondContact O-CG 3.42Å; L92-L95 PolarHBondContact O-N 3.34Å; L93-L95 PolarHBondContact O-N 3.38Å; L95-T98 PolarHBondContact O-OG1 2.93Å; L95-R99 WeakPolarHBondContact O-CB 3.49Å; L95-R99 PolarHBondContact O-N 3.26Å; L95-M126 HydrophobicContact CD2-CB 3.81Å; L95-M126 HydrophobicContact CD2-CG 4.04Å; L95-M126 HydrophobicContact CD2-SD 3.85Å; L95-M126 HydrophobicContact CG-SD 4.41Å; L95-F128 HydrophobicContact CB-CE1 4.06Å; L95-F128 HydrophobicContact CD2-CD1 3.97Å; L95-F128 HydrophobicContact CD2-CE1 3.78Å; L95-F128 HydrophobicContact CG-CE1 4.49Å; L95-V207 HydrophobicContact CD1-CG1 4.03Å; L95-V207 HydrophobicContact CD2-CG1 4.2Å; L95-I211 HydrophobicContact CD2-CD1 4.28Å
96E91.4Very high89.7Confident3 Ų335.1 Ų35.11%0.01418%0.176CC..Hα-helixtrans-73.5-36-179-73.9-65.797.700111.9L81 T85 L88 L93 S94 R99 H100 Y203L81-E96 HydrophobicContact CD2-CB 3.91Å; T85-E96 HydrophobicContact CG2-CB 3.94Å; T85-E96 HydrophobicContact CG2-CG 3.77Å; L88-E96 HydrophobicContact CD1-CB 4.46Å; L88-E96 HydrophobicContact CD1-CG 3.63Å; L93-E96 PolarHBondContact O-N 3.42Å; S94-E96 PolarHBondContact O-N 3.18Å; E96-R99 IonicContact OE1-CZ 3.17Å; E96-R99 IonicContact OE1-NE 2.66Å; E96-R99 PolarHBondContact OE1-NE 3.11Å; E96-R99 IonicContact OE1-NH2 3.19Å; E96-R99 PolarHBondContact OE1-NH2 3.09Å; E96-R99 IonicContact OE2-CZ 3.41Å; E96-R99 IonicContact OE2-NE 3.09Å; E96-R99 IonicContact OE2-NH2 2.74Å; E96-R99 PolarHBondContact OE2-NH2 2.66Å; E96-H100 PolarHBondContact O-N 3.46Å; E96-H100 PolarHBondContact O-ND1 3.35Å; E96-H100 IonicContact OE2-CE1 3.79Å; E96-H100 PolarHBondContact OE2-CE1 3.04Å; E96-H100 IonicContact OE2-ND1 3Å; E96-Y203 PolarHBondContact OE1-OH 2.85Å
97L90.3Very high90.3Very high2 Ų236 Ų361%0.0118%0.18CC..Hα-helixtrans-63.9-44.8178.3-74.9176.1000112.1L11 A53 L78 L81 L93 S94 S101L11-L97 HydrophobicContact CD1-CB 3.64Å; L11-L97 HydrophobicContact CD1-CD1 3.65Å; L11-L97 HydrophobicContact CD1-CG 4.29Å; A53-L97 HydrophobicContact CB-CD1 3.98Å; L78-L97 HydrophobicContact CD1-CB 4.06Å; L78-L97 HydrophobicContact CD1-CD2 4.36Å; L78-L97 HydrophobicContact CD2-CD2 3.86Å; L78-L97 HydrophobicContact CG-CD2 4.26Å; L81-L97 HydrophobicContact CD1-CD2 3.65Å; L81-L97 HydrophobicContact CD1-CG 4.2Å; L81-L97 HydrophobicContact CD2-CD2 3.84Å; L81-L97 HydrophobicContact CD2-CG 4.39Å; L81-L97 HydrophobicContact CG-CD2 3.61Å; L81-L97 HydrophobicContact CG-CG 4.48Å; L93-L97 HydrophobicContact CD2-CD1 4.2Å; L93-L97 HydrophobicContact CG-CD1 3.95Å; L93-L97 HydrophobicContact CG-CG 4.2Å; L93-L97 WeakPolarHBondContact O-CG 3.03Å; L93-L97 PolarHBondContact O-N 3.18Å; L93-L97 VanDerWaalsContact O-N 3.15Å; S94-L97 PolarHBondContact O-N 2.7Å; L97-S101 WeakPolarHBondContact O-CB 3.48Å; L97-S101 PolarHBondContact O-N 2.88Å; L97-S101 PolarHBondContact O-OG 3.36Å
98T91.3Very high90.9Very high2 Ų226.8 Ų26.81%0.01214%0.141CC..Hα-helixtrans-72.9-41176.757.90000111.6N10 L11 L40 S94 L95 H100 S101 T102 N127N10-T98 WeakPolarHBondContact OD1-CG2 3.45Å; L11-T98 HydrophobicContact CG-CG2 4.3Å; L40-T98 HydrophobicContact CD1-CG2 3.68Å; S94-T98 WeakPolarHBondContact O-CG2 3.41Å; S94-T98 PolarHBondContact O-N 3.47Å; S94-T98 PolarHBondContact O-OG1 2.72Å; S94-T98 VanDerWaalsContact O-OG1 3.04Å; L95-T98 PolarHBondContact O-OG1 2.93Å; T98-H100 VanDerWaalsContact C-N 3.34Å; T98-H100 PolarHBondContact O-N 3.23Å; T98-S101 PolarHBondContact O-N 3.28Å; T98-T102 PolarHBondContact O-N 2.75Å; T98-N127 WeakPolarHBondContact CB-OD1 3.46Å; T98-N127 VanDerWaalsContact CG2-OD1 3.25Å; T98-N127 WeakPolarHBondContact CG2-OD1 3.43Å; T98-N127 PolarHBondContact OG1-OD1 3.23Å
99R91.9Very high91.5Very high77 Ų7726.2 Ų26.229%0.29114%0.138SC..Hα-helixtrans-56.6-45.6177.7-169.2-175.164.875.6-5.5112.2L95 E96 S101 F128 N129L95-R99 WeakPolarHBondContact O-CB 3.49Å; L95-R99 PolarHBondContact O-N 3.26Å; E96-R99 IonicContact OE1-CZ 3.17Å; E96-R99 IonicContact OE1-NE 2.66Å; E96-R99 PolarHBondContact OE1-NE 3.11Å; E96-R99 IonicContact OE1-NH2 3.19Å; E96-R99 PolarHBondContact OE1-NH2 3.09Å; E96-R99 IonicContact OE2-CZ 3.41Å; E96-R99 IonicContact OE2-NE 3.09Å; E96-R99 IonicContact OE2-NH2 2.74Å; E96-R99 PolarHBondContact OE2-NH2 2.66Å; R99-S101 VanDerWaalsContact C-N 3.27Å; R99-S101 PolarHBondContact O-N 3.27Å; R99-F128 HydrophobicContact CB-CZ 4.43Å; R99-F128 HydrophobicContact CG-CZ 4.27Å; R99-N129 WeakPolarHBondContact CA-ND2 3.31Å; R99-N129 WeakPolarHBondContact CG-ND2 3.42Å; R99-N129 VanDerWaalsContact CG-OD1 3.31Å; R99-N129 WeakPolarHBondContact CG-OD1 3.3Å; R99-N129 PolarHBondContact O-ND2 2.98Å
100H92.5Very high92Very high47 Ų4726.9 Ų26.922%0.21814%0.137CC..Hα-helixtrans-75.3-16.3178.2-68.7103.1000113.7A79 L81 P82 E96 T98A79-H100 HydrophobicContact CB-CB 4.15Å; A79-H100 WeakPolarHBondContact CB-O 3.27Å; L81-H100 WeakPolarHBondContact CD2-ND1 3.46Å; P82-H100 VanDerWaalsContact CD-CE1 3.48Å; P82-H100 WeakPolarHBondContact CD-CE1 3.34Å; P82-H100 VanDerWaalsContact CD-NE2 3.26Å; P82-H100 WeakPolarHBondContact CD-NE2 3.21Å; P82-H100 WeakPolarHBondContact CG-NE2 3.47Å; E96-H100 PolarHBondContact O-N 3.46Å; E96-H100 PolarHBondContact O-ND1 3.35Å; E96-H100 IonicContact OE2-CE1 3.79Å; E96-H100 PolarHBondContact OE2-CE1 3.04Å; E96-H100 IonicContact OE2-ND1 3Å; T98-H100 VanDerWaalsContact C-N 3.34Å; T98-H100 PolarHBondContact O-N 3.23Å
101S93.8Very high92.7Very high0 Ų028 Ų280%014%0.143CC..Hα-helixtrans-91.5-1.5-179.4-58.20000113.8L78 A79 L97 T98 R99 Q103 N104 I105L78-S101 WeakPolarHBondContact CD1-OG 3.35Å; A79-S101 PolarHBondContact N-OG 2.97Å; L97-S101 WeakPolarHBondContact O-CB 3.48Å; L97-S101 PolarHBondContact O-N 2.88Å; L97-S101 PolarHBondContact O-OG 3.36Å; T98-S101 PolarHBondContact O-N 3.28Å; R99-S101 VanDerWaalsContact C-N 3.27Å; R99-S101 PolarHBondContact O-N 3.27Å; S101-Q103 VanDerWaalsContact C-N 3.28Å; S101-Q103 PolarHBondContact O-N 2.95Å; S101-N104 WeakPolarHBondContact O-CB 3.49Å; S101-N104 PolarHBondContact O-N 3.2Å; S101-I105 PolarHBondContact O-N 2.86Å; S101-I105 VanDerWaalsContact O-N 3.11Å
102T94.3Very high93.3Very high16 Ų1627.2 Ų27.210%0.09814%0.14CC..Hα-helixtrans-55.3-37.2-176.5-76.60000114T98 N104 I105 A106 N129 A133 L134T98-T102 PolarHBondContact O-N 2.75Å; T102-N104 VanDerWaalsContact C-N 3.35Å; T102-N104 PolarHBondContact O-N 3.29Å; T102-I105 WeakPolarHBondContact O-CB 3.3Å; T102-I105 PolarHBondContact O-N 3.15Å; T102-A106 PolarHBondContact O-N 2.8Å; T102-N129 VanDerWaalsContact CB-ND2 3.32Å; T102-N129 WeakPolarHBondContact CB-ND2 3.39Å; T102-N129 HydrophobicContact CG2-CB 4.12Å; T102-N129 PolarHBondContact OG1-ND2 2.8Å; T102-A133 HydrophobicContact CG2-CB 4.12Å; T102-L134 HydrophobicContact CG2-CD2 3.73Å; T102-L134 HydrophobicContact CG2-CG 4.41Å
103Q94.3Very high93.5Very high112 Ų11228 Ų2852%0.52315%0.148SC..Hα-helixtrans-65.1-39.4176.6-172.160.122.600112.3S101 I105 A106 V107S101-Q103 VanDerWaalsContact C-N 3.28Å; S101-Q103 PolarHBondContact O-N 2.95Å; Q103-I105 VanDerWaalsContact C-N 3.28Å; Q103-I105 PolarHBondContact O-N 3.35Å; Q103-A106 PolarHBondContact O-N 3.09Å; Q103-V107 WeakPolarHBondContact O-CG2 3.25Å; Q103-V107 PolarHBondContact O-N 3.45Å
104N95.6Very high93.8Very high57 Ų5735.1 Ų35.131%0.30518%0.178SC..Hα-helixtrans-65.4-37.2177-63.4-10.1000110.7V76 P77 S101 T102 V107 A108V76-N104 HydrophobicContact CG1-CB 3.58Å; P77-N104 PolarHBondContact O-ND2 2.89Å; S101-N104 WeakPolarHBondContact O-CB 3.49Å; S101-N104 PolarHBondContact O-N 3.2Å; T102-N104 VanDerWaalsContact C-N 3.35Å; T102-N104 PolarHBondContact O-N 3.29Å; N104-V107 PolarHBondContact O-N 2.97Å; N104-A108 PolarHBondContact O-N 3.41Å
105I96.5Very high94Very high0 Ų038.6 Ų38.60%021%0.207CC..Hα-helixtrans-65.4-44.3174.3-62.5-64.7000111.1Y8 L38 L40 V76 S101 T102 Q103 V107 A108 L109 L134Y8-I105 HydrophobicContact CD1-CG2 4.08Å; Y8-I105 HydrophobicContact CD2-CD1 4.2Å; Y8-I105 HydrophobicContact CE1-CD1 4.48Å; Y8-I105 HydrophobicContact CE1-CG1 4.05Å; Y8-I105 HydrophobicContact CE1-CG2 3.97Å; Y8-I105 HydrophobicContact CE2-CD1 3.66Å; Y8-I105 HydrophobicContact CE2-CG1 4.03Å; L38-I105 HydrophobicContact CB-CD1 4.33Å; L38-I105 HydrophobicContact CD1-CD1 4.29Å; L38-I105 HydrophobicContact CD1-CG2 3.73Å; L40-I105 HydrophobicContact CD2-CD1 3.79Å; L40-I105 HydrophobicContact CD2-CG1 4.27Å; L40-I105 HydrophobicContact CG-CD1 4.33Å; V76-I105 HydrophobicContact CB-CD1 3.91Å; V76-I105 HydrophobicContact CG1-CD1 3.8Å; V76-I105 HydrophobicContact CG1-CG1 4.46Å; V76-I105 HydrophobicContact CG2-CD1 3.9Å; S101-I105 PolarHBondContact O-N 2.86Å; S101-I105 VanDerWaalsContact O-N 3.11Å; T102-I105 WeakPolarHBondContact O-CB 3.3Å; T102-I105 PolarHBondContact O-N 3.15Å; Q103-I105 VanDerWaalsContact C-N 3.28Å; Q103-I105 PolarHBondContact O-N 3.35Å; I105-V107 VanDerWaalsContact C-N 3.33Å; I105-V107 PolarHBondContact O-N 3.5Å; I105-A108 WeakPolarHBondContact O-CB 3.39Å; I105-A108 PolarHBondContact O-N 2.95Å; I105-A108 VanDerWaalsContact O-N 3.16Å; I105-L109 HydrophobicContact CG2-CD1 4.12Å; I105-L109 HydrophobicContact CG2-CG 4.47Å; I105-L109 WeakPolarHBondContact O-CG 3.08Å; I105-L109 PolarHBondContact O-N 2.69Å; I105-L134 HydrophobicContact CB-CD2 3.97Å; I105-L134 HydrophobicContact CG2-CD1 4.34Å; I105-L134 HydrophobicContact CG2-CD2 3.59Å
106A96Very high94.1Very high2 Ų239.2 Ų39.22%0.01721%0.212CC..Hα-helixtrans-59.1-42.8176.900000111.9T102 Q103 L109 Q110 A133 L134T102-A106 PolarHBondContact O-N 2.8Å; Q103-A106 PolarHBondContact O-N 3.09Å; A106-L109 PolarHBondContact O-N 3.03Å; A106-Q110 WeakPolarHBondContact O-CG 3.47Å; A106-Q110 PolarHBondContact O-N 3.21Å; A106-A133 WeakPolarHBondContact CB-O 3.23Å; A106-L134 HydrophobicContact CB-CD2 4.24Å
107V95.8Very high94.2Very high71 Ų7141.3 Ų41.343%0.4322%0.223SC..Hα-helixtrans-64.3-40.6175.2173.20000111.8Q103 N104 I105 Q110 T111Q103-V107 WeakPolarHBondContact O-CG2 3.25Å; Q103-V107 PolarHBondContact O-N 3.45Å; N104-V107 PolarHBondContact O-N 2.97Å; I105-V107 VanDerWaalsContact C-N 3.33Å; I105-V107 PolarHBondContact O-N 3.5Å; V107-Q110 PolarHBondContact O-N 3.29Å; V107-T111 PolarHBondContact O-N 3.42Å; V107-T111 VanDerWaalsContact O-N 3.14Å; V107-T111 PolarHBondContact O-OG1 2.79Å; V107-T111 VanDerWaalsContact O-OG1 3.06Å
108A96.3Very high94.5Very high7 Ų741.8 Ų41.86%0.05823%0.226CC..Hα-helixtrans-63.1-43.5175.400000111.6V76 N104 I105 Q110 T111 L112V76-A108 HydrophobicContact CG2-CB 3.64Å; N104-A108 PolarHBondContact O-N 3.41Å; I105-A108 WeakPolarHBondContact O-CB 3.39Å; I105-A108 PolarHBondContact O-N 2.95Å; I105-A108 VanDerWaalsContact O-N 3.16Å; A108-Q110 PolarHBondContact O-N 3.31Å; A108-T111 WeakPolarHBondContact O-CB 3.27Å; A108-T111 PolarHBondContact O-N 3.02Å; A108-T111 VanDerWaalsContact O-N 3.13Å; A108-L112 WeakPolarHBondContact O-CG 3.38Å; A108-L112 PolarHBondContact O-N 3.22Å
109L96.7Very high94.7Very high0 Ų042.7 Ų42.70%023%0.229CC..Hα-helixtrans-61.1-43.2176.1-74.5169.8000112.4V6 L38 I105 A106 T111 L112 A113 I121 L134 L138V6-L109 HydrophobicContact CB-CD2 4.22Å; V6-L109 HydrophobicContact CG1-CD2 3.78Å; V6-L109 HydrophobicContact CG2-CD2 4.17Å; L38-L109 HydrophobicContact CD1-CD2 4.03Å; L38-L109 HydrophobicContact CD1-CG 4.14Å; I105-L109 HydrophobicContact CG2-CD1 4.12Å; I105-L109 HydrophobicContact CG2-CG 4.47Å; I105-L109 WeakPolarHBondContact O-CG 3.08Å; I105-L109 PolarHBondContact O-N 2.69Å; A106-L109 PolarHBondContact O-N 3.03Å; L109-T111 PolarHBondContact O-N 2.9Å; L109-L112 PolarHBondContact O-N 2.92Å; L109-A113 WeakPolarHBondContact O-CB 3.44Å; L109-A113 PolarHBondContact O-N 2.9Å; L109-I121 HydrophobicContact CD1-CD1 3.87Å; L109-I121 HydrophobicContact CD2-CD1 4.04Å; L109-I121 HydrophobicContact CD2-CG1 4.2Å; L109-L134 HydrophobicContact CD1-CB 3.79Å; L109-L134 HydrophobicContact CD1-CD1 4.41Å; L109-L134 HydrophobicContact CD1-CD2 4.27Å; L109-L134 HydrophobicContact CD1-CG 4.4Å; L109-L138 HydrophobicContact CB-CD2 4.26Å
110Q95.5Very high95Very high55 Ų5539 Ų3926%0.25722%0.216SC..Hα-helixtrans-59.5-37.4174.1-70.9174.334.900112.2A106 V107 A108 K114 N137 L138A106-Q110 WeakPolarHBondContact O-CG 3.47Å; A106-Q110 PolarHBondContact O-N 3.21Å; V107-Q110 PolarHBondContact O-N 3.29Å; A108-Q110 PolarHBondContact O-N 3.31Å; Q110-K114 WeakPolarHBondContact O-CG 3.24Å; Q110-K114 PolarHBondContact O-N 3.42Å; Q110-N137 HydrophobicContact CG-CB 4.06Å; Q110-N137 VanDerWaalsContact NE2-CB 3.25Å; Q110-L138 HydrophobicContact CG-CD2 4.16Å
111T94.5Very high95.2Very high75 Ų7536.9 Ų36.946%0.4621%0.205SC..Hα-helixtrans-68.1-44.5176.7-58.20000110.9V107 A108 L109 A113 K114V107-T111 PolarHBondContact O-N 3.42Å; V107-T111 VanDerWaalsContact O-N 3.14Å; V107-T111 PolarHBondContact O-OG1 2.79Å; V107-T111 VanDerWaalsContact O-OG1 3.06Å; A108-T111 WeakPolarHBondContact O-CB 3.27Å; A108-T111 PolarHBondContact O-N 3.02Å; A108-T111 VanDerWaalsContact O-N 3.13Å; L109-T111 PolarHBondContact O-N 2.9Å; T111-A113 PolarHBondContact O-N 3.4Å; T111-K114 PolarHBondContact O-N 3.49Å
112L95Very high95.4Very high18 Ų1836.9 Ų36.99%0.09421%0.205CC..Hα-helixtrans-64.6-38.3177-69.1173.4000112.5V6 T36 L38 A108 L109 K114 A115 S116 L118V6-L112 HydrophobicContact CG2-CD1 4.4Å; T36-L112 HydrophobicContact CG2-CD1 3.77Å; T36-L112 HydrophobicContact CG2-CD2 4.01Å; L38-L112 HydrophobicContact CD2-CD1 3.61Å; A108-L112 WeakPolarHBondContact O-CG 3.38Å; A108-L112 PolarHBondContact O-N 3.22Å; L109-L112 PolarHBondContact O-N 2.92Å; L112-K114 PolarHBondContact O-N 2.69Å; L112-A115 PolarHBondContact O-N 2.81Å; L112-S116 PolarHBondContact O-N 2.63Å; L112-S116 PolarHBondContact O-OG 2.88Å; L112-L118 HydrophobicContact CB-CD2 4.39Å
113A94.6Very high95.5Very high24 Ų2436.2 Ų36.220%0.19820%0.201CC..Hα-helixtrans-64-23.4177.200000113.5L109 T111 L118 L138L109-A113 WeakPolarHBondContact O-CB 3.44Å; L109-A113 PolarHBondContact O-N 2.9Å; T111-A113 PolarHBondContact O-N 3.4Å; A113-L118 HydrophobicContact CB-CD1 3.74Å; A113-L118 HydrophobicContact CB-CG 4.18Å; A113-L138 HydrophobicContact CB-CD2 3.95Å
114K93.7Very high95.7Very high162 Ų16230.9 Ų30.970%0.70418%0.177SC*.Hα-helixtrans-78.7-25.2172.6-67.2170.2-172.7175.50112.6Q110 T111 L112Q110-K114 WeakPolarHBondContact O-CG 3.24Å; Q110-K114 PolarHBondContact O-N 3.42Å; T111-K114 PolarHBondContact O-N 3.49Å; L112-K114 PolarHBondContact O-N 2.69Å
115A92.7Very high95.6Very high79 Ų7929 Ų2965%0.65317%0.166SC*.Hα-helixtrans-99.8-17.2-175.500000113.7L112L112-A115 PolarHBondContact O-N 2.81Å
116S93.3Very high95.5Very high15 Ų1529.8 Ų29.811%0.10517%0.17CC..SBendtrans-148.8160.7-17064.30000112.6T4 L112 L118T4-S116 WeakPolarHBondContact OG1-CB 3.46Å; L112-S116 PolarHBondContact O-N 2.63Å; L112-S116 PolarHBondContact O-OG 2.88Å; S116-L118 PolarHBondContact O-N 2.77Å; S116-L118 WeakPolarHBondContact OG-CD2 3.17Å
117N94.5Very high95.5Very high47 Ų4730 Ų3025%0.25117%0.17SC..EExtended strand (participates in β ladder)trans-9096.3174.3-173.428000108.7M1 K2 D3 T4 K119M1-N117 HydrophobicContact CB-CB 4.04Å; K2-N117 PolarHBondContact O-N 2.91Å; D3-N117 WeakPolarHBondContact CA-O 3.28Å; D3-N117 PolarHBondContact OD1-ND2 3.44Å; T4-N117 PolarHBondContact N-O 3.41Å; N117-K119 VanDerWaalsContact ND2-CE 3.31Å; N117-K119 WeakPolarHBondContact ND2-CE 3.35Å; N117-K119 PolarHBondContact O-N 2.97Å
118L95.7Very high95.3Very high12 Ų1226.9 Ų26.96%0.06315%0.151CC..EExtended strand (participates in β ladder)trans-71.1118.2-179-56.7-169.9000110.1T4 V6 L112 A113 S116 L138 V142T4-L118 HydrophobicContact CG2-CD2 4.27Å; V6-L118 HydrophobicContact CG2-CD1 4.45Å; V6-L118 HydrophobicContact CG2-CD2 3.73Å; L112-L118 HydrophobicContact CB-CD2 4.39Å; A113-L118 HydrophobicContact CB-CD1 3.74Å; A113-L118 HydrophobicContact CB-CG 4.18Å; S116-L118 PolarHBondContact O-N 2.77Å; S116-L118 WeakPolarHBondContact OG-CD2 3.17Å; L118-L138 HydrophobicContact CD1-CD1 4.46Å; L118-V142 HydrophobicContact CB-CG1 4.3Å; L118-V142 HydrophobicContact CB-CG2 3.98Å
119K96.1Very high95Very high21 Ų2128.4 Ų28.49%0.09116%0.158CC..EExtended strand (participates in β ladder)trans-97-30.4-179.8-67.6-56-158.5168.10113.4D3 T4 I5 N117 P143 W470 S473D3-K119 HydrophobicContact CB-CG 3.8Å; D3-K119 VanDerWaalsContact OD1-CE 3.29Å; D3-K119 WeakPolarHBondContact OD1-CE 3.36Å; D3-K119 WeakPolarHBondContact OD2-CE 3.45Å; T4-K119 PolarHBondContact O-N 3.35Å; I5-K119 HydrophobicContact CD1-CB 3.79Å; N117-K119 VanDerWaalsContact ND2-CE 3.31Å; N117-K119 WeakPolarHBondContact ND2-CE 3.35Å; N117-K119 PolarHBondContact O-N 2.97Å; K119-P143 WeakPolarHBondContact O-CD 3.2Å; K119-P143 WeakPolarHBondContact O-CG 3.48Å; K119-W470 HydrophobicContact CB-CB 4.33Å; K119-W470 WeakPolarHBondContact CD-O 3.3Å; K119-S473 WeakPolarHBondContact CD-OXT 3.4Å; K119-S473 PolarHBondContact NZ-OXT 3.2Å
120A97.1Very high94.7Very high0 Ų032.8 Ų32.80%018%0.181CC..EExtended strand (participates in β ladder)trans-162.8159.1174.200000111.2I5 V6 P143 Y145 W470I5-A120 HydrophobicContact CD1-CB 4.22Å; I5-A120 HydrophobicContact CG2-CB 4.42Å; V6-A120 PolarHBondContact N-O 2.79Å; A120-P143 WeakPolarHBondContact CA-O 3.18Å; A120-P143 HydrophobicContact CB-CG 4.23Å; A120-Y145 HydrophobicContact CB-CD2 4.05Å; A120-Y145 HydrophobicContact CB-CE2 4.09Å; A120-W470 VanDerWaalsContact CB-CD1 3.44Å; A120-W470 HydrophobicContact CB-CD2 4.35Å; A120-W470 HydrophobicContact CB-CG 4.02Å
121I97.3Very high94.5Very high1 Ų131 Ų311%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-112.5129.1165.4-59.8163.4000107.3V6 L109 M123 T135 L138 V142 P143 T144 Y145V6-I121 HydrophobicContact CB-CG1 4.38Å; V6-I121 CarbonylContact O-C 3.58Å; V6-I121 WeakPolarHBondContact O-CA 3.38Å; L109-I121 HydrophobicContact CD1-CD1 3.87Å; L109-I121 HydrophobicContact CD2-CD1 4.04Å; L109-I121 HydrophobicContact CD2-CG1 4.2Å; I121-M123 HydrophobicContact CG2-CG 3.84Å; I121-T135 HydrophobicContact CD1-CG2 3.64Å; I121-L138 HydrophobicContact CD1-CD1 4.25Å; I121-V142 HydrophobicContact CD1-CG1 4.18Å; I121-V142 HydrophobicContact CG1-CG1 3.92Å; I121-P143 PolarHBondContact N-O 2.87Å; I121-T144 HydrophobicContact CB-CG2 4.48Å; I121-T144 CarbonylContact O-C 3.56Å; I121-T144 WeakPolarHBondContact O-CA 3.43Å; I121-Y145 PolarHBondContact O-N 3.49Å
122V98Very high94.4Very high0 Ų034.3 Ų34.30%018%0.183CC..EExtended strand (participates in β ladder)trans-111.1107.9172.6-177.60000107.9I5 V6 L7 Y8 M19 L22 Y145 I222 W470I5-V122 HydrophobicContact CG2-CG2 3.92Å; V6-V122 PolarHBondContact O-N 2.9Å; L7-V122 WeakPolarHBondContact CA-O 3.4Å; L7-V122 HydrophobicContact CD2-CB 3.61Å; L7-V122 HydrophobicContact CD2-CG1 4.33Å; L7-V122 HydrophobicContact CD2-CG2 3.77Å; Y8-V122 PolarHBondContact N-O 3.27Å; M19-V122 HydrophobicContact SD-CG1 4.27Å; L22-V122 HydrophobicContact CD2-CG1 4.41Å; V122-Y145 CarbonylContact C-O 3.56Å; V122-Y145 WeakPolarHBondContact CA-O 3.21Å; V122-I222 HydrophobicContact CG1-CD1 3.86Å; V122-I222 HydrophobicContact CG2-CD1 4.12Å; V122-W470 HydrophobicContact CG2-CH2 4.39Å; V122-W470 HydrophobicContact CG2-CZ2 3.86Å
123M97.2Very high94.3Very high3 Ų335.1 Ų35.12%0.01519%0.192CC..EExtended strand (participates in β ladder)trans-93.4139.4180-64.4175.355.600110Y8 I121 N127 L134 T144 Y145 F146 Y147Y8-M123 HydrophobicContact CD1-CG 4.4Å; I121-M123 HydrophobicContact CG2-CG 3.84Å; M123-N127 HydrophobicContact CE-CB 4.02Å; M123-N127 WeakPolarHBondContact CE-O 3.37Å; M123-L134 HydrophobicContact CE-CD1 3.68Å; M123-L134 HydrophobicContact CG-CD1 4.4Å; M123-L134 HydrophobicContact SD-CD1 3.51Å; M123-L134 VanDerWaalsContact SD-CD1 3.51Å; M123-T144 HydrophobicContact CG-CG2 3.91Å; M123-T144 HydrophobicContact SD-CG2 3.38Å; M123-T144 WeakPolarHBondContact SD-CG2 3.43Å; M123-Y145 PolarHBondContact N-O 3.23Å; M123-F146 HydrophobicContact CB-CD1 4.05Å; M123-F146 HydrophobicContact CB-CE1 4.13Å; M123-F146 HydrophobicContact CE-CE1 4.26Å; M123-F146 CarbonylContact O-C 3.53Å; M123-F146 VanDerWaalsContact O-CA 3.28Å; M123-F146 WeakPolarHBondContact O-CA 3.18Å; M123-F146 HydrophobicContact SD-CE1 4.41Å; M123-Y147 PolarHBondContact O-N 2.92Å
124D97Very high94.2Very high0 Ų034.2 Ų34.20%018%0.184CC..EExtended strand (participates in β ladder)trans-56.8140.9161.2-168.1-81.3000110.4Y8 N10 H15 M19 M126 N127Y8-D124 WeakPolarHBondContact O-CB 3.36Å; Y8-D124 PolarHBondContact O-N 3.41Å; N10-D124 HydrophobicContact CB-CB 3.98Å; N10-D124 VanDerWaalsContact N-CB 3.29Å; H15-D124 IonicContact CE1-OD1 3.72Å; H15-D124 IonicContact CE1-OD2 3.86Å; H15-D124 IonicContact CG-OD2 3.94Å; H15-D124 IonicContact ND1-OD1 2.78Å; H15-D124 PolarHBondContact ND1-OD1 3.06Å; H15-D124 IonicContact ND1-OD2 3.86Å; H15-D124 PolarHBondContact ND1-OD2 3.5Å; M19-D124 HydrophobicContact CE-CB 4.06Å; D124-M126 PolarHBondContact O-N 3.26Å; D124-M126 VanDerWaalsContact O-N 3.14Å; D124-M126 WeakPolarHBondContact OD1-CB 3.49Å; D124-M126 PolarHBondContact OD1-N 3.32Å; D124-N127 WeakPolarHBondContact O-CB 3.2Å; D124-N127 PolarHBondContact O-N 3.2Å
125F95.2Very high94.1Very high17 Ų1727.9 Ų27.98%0.07516%0.159CC..THydrogen-bonded Turntrans-59.5-26.7-178.181-81.6000113.8N127 Y147 Y148 L158 I211 M215F125-N127 VanDerWaalsContact C-N 3.27Å; F125-N127 PolarHBondContact O-N 3.45Å; F125-Y147 PolarHBondContact N-O 3.47Å; F125-Y147 VanDerWaalsContact N-O 3.11Å; F125-Y148 HydrophobicContact CB-CD2 3.79Å; F125-Y148 HydrophobicContact CB-CE2 4.49Å; F125-Y148 AromaticContact CD1-CD2 3.81Å; F125-Y148 HydrophobicContact CD1-CD2 3.81Å; F125-Y148 HydrophobicContact CD1-CE2 4.17Å; F125-Y148 AromaticContact CD2-CD2 3.75Å; F125-Y148 HydrophobicContact CD2-CD2 3.75Å; F125-Y148 AromaticContact CD2-CE2 3.59Å; F125-Y148 HydrophobicContact CD2-CE2 3.59Å; F125-Y148 HydrophobicContact CE1-CD2 4.29Å; F125-Y148 HydrophobicContact CE1-CE2 4.27Å; F125-Y148 HydrophobicContact CE2-CD2 4.26Å; F125-Y148 AromaticContact CE2-CE2 3.71Å; F125-Y148 HydrophobicContact CE2-CE2 3.71Å; F125-Y148 AromaticContact CG-CD2 3.49Å; F125-Y148 HydrophobicContact CG-CD2 3.49Å; F125-Y148 VanDerWaalsContact CG-CD2 3.49Å; F125-Y148 AromaticContact CG-CE2 3.83Å; F125-Y148 HydrophobicContact CG-CE2 3.83Å; F125-Y148 HydrophobicContact CZ-CD2 4.49Å; F125-Y148 HydrophobicContact CZ-CE2 4.04Å; F125-L158 HydrophobicContact CD2-CD2 4.14Å; F125-L158 HydrophobicContact CE2-CD2 4.46Å; F125-I211 HydrophobicContact CD2-CG2 3.94Å; F125-M215 HydrophobicContact CB-CE 4.2Å; F125-M215 HydrophobicContact CB-SD 3.74Å
126M94.2Very high94.1Very high17 Ų1730.3 Ų30.38%0.08416%0.157CC..THydrogen-bonded Turntrans-81.8-3.4176.1-70.7-154.7-81.100113.7N10 H15 L95 D124 F128N10-M126 HydrophobicContact CB-CB 4.21Å; N10-M126 WeakPolarHBondContact ND2-CB 3.44Å; N10-M126 VanDerWaalsContact ND2-CE 3.29Å; N10-M126 WeakPolarHBondContact ND2-CE 3.42Å; H15-M126 WeakPolarHBondContact CE1-CE 3.23Å; H15-M126 WeakPolarHBondContact NE2-CE 3.24Å; L95-M126 HydrophobicContact CD2-CB 3.81Å; L95-M126 HydrophobicContact CD2-CG 4.04Å; L95-M126 HydrophobicContact CD2-SD 3.85Å; L95-M126 HydrophobicContact CG-SD 4.41Å; D124-M126 PolarHBondContact O-N 3.26Å; D124-M126 VanDerWaalsContact O-N 3.14Å; D124-M126 WeakPolarHBondContact OD1-CB 3.49Å; D124-M126 PolarHBondContact OD1-N 3.32Å; M126-F128 VanDerWaalsContact C-N 3.31Å; M126-F128 VanDerWaalsContact O-CD1 3.26Å; M126-F128 WeakPolarHBondContact O-CD1 3.22Å; M126-F128 PolarHBondContact O-N 2.99Å
127N94.7Very high94Very high5 Ų533.6 Ų33.63%0.02717%0.173CC..  trans-87.573.8168.1-67.6-25000108.6Y8 P9 T98 M123 D124 F125 N129Y8-N127 HydrophobicContact CD1-CB 4.2Å; Y8-N127 WeakPolarHBondContact CD1-ND2 3.08Å; Y8-N127 HydrophobicContact CE1-CB 3.87Å; Y8-N127 VanDerWaalsContact CE1-ND2 3.34Å; Y8-N127 WeakPolarHBondContact CE1-ND2 3.48Å; Y8-N127 PolarHBondContact O-ND2 2.86Å; P9-N127 PolarHBondContact O-ND2 3.32Å; T98-N127 WeakPolarHBondContact CB-OD1 3.46Å; T98-N127 VanDerWaalsContact CG2-OD1 3.25Å; T98-N127 WeakPolarHBondContact CG2-OD1 3.43Å; T98-N127 PolarHBondContact OG1-OD1 3.23Å; M123-N127 HydrophobicContact CE-CB 4.02Å; M123-N127 WeakPolarHBondContact CE-O 3.37Å; D124-N127 WeakPolarHBondContact O-CB 3.2Å; D124-N127 PolarHBondContact O-N 3.2Å; F125-N127 VanDerWaalsContact C-N 3.27Å; F125-N127 PolarHBondContact O-N 3.45Å; N127-N129 PolarHBondContact O-N 2.87Å
128F91.6Very high93.9Very high6 Ų632.2 Ų32.23%0.02617%0.166CC..  trans-95.113.3-161.365.7-91000116.6L95 R99 M126 V207 Q210 I211 T214L95-F128 HydrophobicContact CB-CE1 4.06Å; L95-F128 HydrophobicContact CD2-CD1 3.97Å; L95-F128 HydrophobicContact CD2-CE1 3.78Å; L95-F128 HydrophobicContact CG-CE1 4.49Å; R99-F128 HydrophobicContact CB-CZ 4.43Å; R99-F128 HydrophobicContact CG-CZ 4.27Å; M126-F128 VanDerWaalsContact C-N 3.31Å; M126-F128 VanDerWaalsContact O-CD1 3.26Å; M126-F128 WeakPolarHBondContact O-CD1 3.22Å; M126-F128 PolarHBondContact O-N 2.99Å; F128-V207 HydrophobicContact CD1-CG1 4Å; F128-V207 HydrophobicContact CE1-CG1 3.55Å; F128-V207 HydrophobicContact CE2-CG1 4.14Å; F128-V207 HydrophobicContact CZ-CG1 3.61Å; F128-V207 HydrophobicContact CZ-CG2 4.24Å; F128-Q210 HydrophobicContact CD2-CB 4.04Å; F128-Q210 HydrophobicContact CE2-CB 4.44Å; F128-I211 HydrophobicContact CB-CB 4.24Å; F128-I211 HydrophobicContact CB-CG1 3.42Å; F128-I211 VanDerWaalsContact CB-CG1 3.42Å; F128-I211 HydrophobicContact CD1-CD1 4.25Å; F128-I211 HydrophobicContact CD1-CG1 3.87Å; F128-I211 HydrophobicContact CG-CG1 3.71Å; F128-T214 PolarHBondContact O-OG1 3.48Å; F128-T214 VanDerWaalsContact O-OG1 3.13Å
129N91.2Very high93.1Very high40 Ų4038.8 Ų38.821%0.21420%0.201CC..SBendtrans-66.3154.5171.1-83.7-33.6000110.9R99 T102 N127 P131R99-N129 WeakPolarHBondContact CA-ND2 3.31Å; R99-N129 WeakPolarHBondContact CG-ND2 3.42Å; R99-N129 VanDerWaalsContact CG-OD1 3.31Å; R99-N129 WeakPolarHBondContact CG-OD1 3.3Å; R99-N129 PolarHBondContact O-ND2 2.98Å; T102-N129 VanDerWaalsContact CB-ND2 3.32Å; T102-N129 WeakPolarHBondContact CB-ND2 3.39Å; T102-N129 HydrophobicContact CG2-CB 4.12Å; T102-N129 PolarHBondContact OG1-ND2 2.8Å; N127-N129 PolarHBondContact O-N 2.87Å; N129-P131 VanDerWaalsContact O-CD 3.28Å; N129-P131 WeakPolarHBondContact O-CD 3.42Å; N129-P131 VanDerWaalsContact O-N 3.1Å
130D90.5Very high92.5Very high91 Ų9142.5 Ų42.549%0.48722%0.222SC..  trans-49.5117.6175.9-177-10.5000110.3K132 A133D130-K132 PolarHBondContact O-N 2.95Å; D130-K132 WeakPolarHBondContact OD1-CB 3.38Å; D130-K132 WeakPolarHBondContact OD1-CG 3.3Å; D130-K132 PolarHBondContact OD1-N 2.93Å; D130-A133 VanDerWaalsContact O-CB 3.28Å; D130-A133 WeakPolarHBondContact O-CB 3.45Å; D130-A133 PolarHBondContact O-N 3Å
131P90.7Very high92.1Very high19 Ų1950.5 Ų50.512%0.12327%0.265CS..THydrogen-bonded Turntrans-52.8-26.3177.4-3239.3000114.1N129 A133 L134 T135 T144 F146 T214N129-P131 VanDerWaalsContact O-CD 3.28Å; N129-P131 WeakPolarHBondContact O-CD 3.42Å; N129-P131 VanDerWaalsContact O-N 3.1Å; P131-A133 VanDerWaalsContact C-N 3.26Å; P131-A133 PolarHBondContact O-N 3.49Å; P131-L134 WeakPolarHBondContact O-CB 3.33Å; P131-L134 PolarHBondContact O-N 3.12Å; P131-L134 VanDerWaalsContact O-N 3.1Å; P131-T135 PolarHBondContact O-N 3.37Å; P131-T135 PolarHBondContact O-OG1 3.22Å; P131-T144 HydrophobicContact CB-CG2 3.99Å; P131-T144 HydrophobicContact CG-CG2 4.32Å; P131-F146 HydrophobicContact CG-CE2 4.28Å; P131-F146 HydrophobicContact CG-CZ 3.66Å; P131-T214 HydrophobicContact CG-CG2 4.2Å
132K92.1Very high91.9Very high144 Ų14451.1 Ų51.163%0.62627%0.268SS*.Hα-helixtrans-60.9-35.9174.5-68.4179.6-179.6173.30112D130 L134 T135 E136D130-K132 PolarHBondContact O-N 2.95Å; D130-K132 WeakPolarHBondContact OD1-CB 3.38Å; D130-K132 WeakPolarHBondContact OD1-CG 3.3Å; D130-K132 PolarHBondContact OD1-N 2.93Å; K132-L134 PolarHBondContact O-N 2.8Å; K132-L134 VanDerWaalsContact O-N 3.13Å; K132-T135 WeakPolarHBondContact CA-OG1 3.32Å; K132-T135 PolarHBondContact O-N 3.35Å; K132-E136 VanDerWaalsContact O-CB 3.23Å; K132-E136 WeakPolarHBondContact O-CB 3.44Å; K132-E136 VanDerWaalsContact O-CG 3.3Å; K132-E136 WeakPolarHBondContact O-CG 3.47Å; K132-E136 PolarHBondContact O-N 3.14Å
133A92.4Very high91.8Very high35 Ų3552.3 Ų52.329%0.28928%0.276SS..Hα-helixtrans-61.3-23.7176.600000113T102 A106 D130 P131T102-A133 HydrophobicContact CG2-CB 4.12Å; A106-A133 WeakPolarHBondContact CB-O 3.23Å; D130-A133 VanDerWaalsContact O-CB 3.28Å; D130-A133 WeakPolarHBondContact O-CB 3.45Å; D130-A133 PolarHBondContact O-N 3Å; P131-A133 VanDerWaalsContact C-N 3.26Å; P131-A133 PolarHBondContact O-N 3.49Å
134L93Very high91.8Very high4 Ų452.7 Ų52.72%0.02128%0.279CS..Hα-helixtrans-88-27.4175.2-64.9-174.4000113.4T102 I105 A106 L109 M123 P131 K132T102-L134 HydrophobicContact CG2-CD2 3.73Å; T102-L134 HydrophobicContact CG2-CG 4.41Å; I105-L134 HydrophobicContact CB-CD2 3.97Å; I105-L134 HydrophobicContact CG2-CD1 4.34Å; I105-L134 HydrophobicContact CG2-CD2 3.59Å; A106-L134 HydrophobicContact CB-CD2 4.24Å; L109-L134 HydrophobicContact CD1-CB 3.79Å; L109-L134 HydrophobicContact CD1-CD1 4.41Å; L109-L134 HydrophobicContact CD1-CD2 4.27Å; L109-L134 HydrophobicContact CD1-CG 4.4Å; M123-L134 HydrophobicContact CE-CD1 3.68Å; M123-L134 HydrophobicContact CG-CD1 4.4Å; M123-L134 HydrophobicContact SD-CD1 3.51Å; M123-L134 VanDerWaalsContact SD-CD1 3.51Å; P131-L134 WeakPolarHBondContact O-CB 3.33Å; P131-L134 PolarHBondContact O-N 3.12Å; P131-L134 VanDerWaalsContact O-N 3.1Å; K132-L134 PolarHBondContact O-N 2.8Å; K132-L134 VanDerWaalsContact O-N 3.13Å
135T92.7Very high91.8Very high29 Ų2953.2 Ų53.218%0.17828%0.28CS..Hα-helixtrans-112.4-17-165.8530000114.6I121 P131 K132 N137 L138I121-T135 HydrophobicContact CD1-CG2 3.64Å; P131-T135 PolarHBondContact O-N 3.37Å; P131-T135 PolarHBondContact O-OG1 3.22Å; K132-T135 WeakPolarHBondContact CA-OG1 3.32Å; K132-T135 PolarHBondContact O-N 3.35Å; T135-N137 PolarHBondContact O-N 2.95Å; T135-L138 HydrophobicContact CG2-CD1 4.11Å; T135-L138 WeakPolarHBondContact O-CB 3.48Å; T135-L138 PolarHBondContact O-N 3.32Å
136E91.9Very high91.9Very high130 Ų13052.4 Ų52.461%0.60728%0.277SS*.THydrogen-bonded Turntrans-56.4-28.7-174.157167.8-151.700114.5K132K132-E136 VanDerWaalsContact O-CB 3.23Å; K132-E136 WeakPolarHBondContact O-CB 3.44Å; K132-E136 VanDerWaalsContact O-CG 3.3Å; K132-E136 WeakPolarHBondContact O-CG 3.47Å; K132-E136 PolarHBondContact O-N 3.14Å
137N91.3Very high92.1Very high84 Ų8451.6 Ų51.645%0.44927%0.273SS..THydrogen-bonded Turntrans-103.811.9-177.4-67.8-58.7000112.6Q110 T135Q110-N137 HydrophobicContact CG-CB 4.06Å; Q110-N137 VanDerWaalsContact NE2-CB 3.25Å; T135-N137 PolarHBondContact O-N 2.95Å
138L92.6Very high92.1Very high19 Ų1951.8 Ų51.810%0.09927%0.274CS..SBendtrans-89.6144.2174.5-56-177.1000110L109 Q110 A113 L118 I121 T135 N140 V142L109-L138 HydrophobicContact CB-CD2 4.26Å; Q110-L138 HydrophobicContact CG-CD2 4.16Å; A113-L138 HydrophobicContact CB-CD2 3.95Å; L118-L138 HydrophobicContact CD1-CD1 4.46Å; I121-L138 HydrophobicContact CD1-CD1 4.25Å; T135-L138 HydrophobicContact CG2-CD1 4.11Å; T135-L138 WeakPolarHBondContact O-CB 3.48Å; T135-L138 PolarHBondContact O-N 3.32Å; L138-N140 PolarHBondContact O-N 3.04Å; L138-V142 HydrophobicContact CD1-CB 4.29Å; L138-V142 HydrophobicContact CD1-CG2 3.98Å
139N79.1Confident92.1Very high150 Ų15052.1 Ų52.180%0.80228%0.276SS*.SBendtrans-69-17.6-176.1-66.5-24.4000113.9
140N82.6Confident92.2Very high99 Ų9950.2 Ų50.253%0.52927%0.266SS..SBendtrans-127.1153-177.5-63.4-14.8000109.5L138 V142L138-N140 PolarHBondContact O-N 3.04Å; N140-V142 VanDerWaalsContact C-N 3.3Å; N140-V142 PolarHBondContact O-N 3.1Å
141N88.7Confident92.4Very high168 Ų16845.9 Ų45.990%0.89824%0.243SC*.  trans-7186.4169.7-71.9-12.4000109.6P143N141-P143 WeakPolarHBondContact O-CD 3.39Å
142V94.3Very high92.6Very high13 Ų1345 Ų458%0.07924%0.237CC..  trans-79.3116.8177.6-176.70000108.9L118 I121 L138 N140L118-V142 HydrophobicContact CB-CG1 4.3Å; L118-V142 HydrophobicContact CB-CG2 3.98Å; I121-V142 HydrophobicContact CD1-CG1 4.18Å; I121-V142 HydrophobicContact CG1-CG1 3.92Å; L138-V142 HydrophobicContact CD1-CB 4.29Å; L138-V142 HydrophobicContact CD1-CG2 3.98Å; N140-V142 VanDerWaalsContact C-N 3.3Å; N140-V142 PolarHBondContact O-N 3.1Å
143P95.5Very high92.8Very high26 Ų2638.1 Ų38.117%0.16921%0.207CC..  trans-65.8138.3179.128.6-35.8000110.5K119 A120 I121 N141 Y145 A219K119-P143 WeakPolarHBondContact O-CD 3.2Å; K119-P143 WeakPolarHBondContact O-CG 3.48Å; A120-P143 WeakPolarHBondContact CA-O 3.18Å; A120-P143 HydrophobicContact CB-CG 4.23Å; I121-P143 PolarHBondContact N-O 2.87Å; N141-P143 WeakPolarHBondContact O-CD 3.39Å; P143-Y145 HydrophobicContact CB-CE2 3.83Å; P143-Y145 HydrophobicContact CG-CE2 4.02Å; P143-A219 HydrophobicContact CB-CB 3.89Å
144T96Very high92.9Very high11 Ų1136.8 Ų36.87%0.06720%0.195CC..EExtended strand (participates in β ladder)trans-109.5122.8178.7-59.20000110.1I121 M123 P131 A219I121-T144 HydrophobicContact CB-CG2 4.48Å; I121-T144 CarbonylContact O-C 3.56Å; I121-T144 WeakPolarHBondContact O-CA 3.43Å; M123-T144 HydrophobicContact CG-CG2 3.91Å; M123-T144 HydrophobicContact SD-CG2 3.38Å; M123-T144 WeakPolarHBondContact SD-CG2 3.43Å; P131-T144 HydrophobicContact CB-CG2 3.99Å; P131-T144 HydrophobicContact CG-CG2 4.32Å; T144-A219 WeakPolarHBondContact O-CB 3.05Å; T144-A219 PolarHBondContact O-N 3.29Å
145Y97.3Very high93.1Very high10 Ų1036.6 Ų36.64%0.03919%0.194CC..EExtended strand (participates in β ladder)trans-108.1156176.8-66.8-98.1000109.6A120 I121 V122 M123 P143 A219 G220 F248 L466 W470A120-Y145 HydrophobicContact CB-CD2 4.05Å; A120-Y145 HydrophobicContact CB-CE2 4.09Å; I121-Y145 PolarHBondContact O-N 3.49Å; V122-Y145 CarbonylContact C-O 3.56Å; V122-Y145 WeakPolarHBondContact CA-O 3.21Å; M123-Y145 PolarHBondContact N-O 3.23Å; P143-Y145 HydrophobicContact CB-CE2 3.83Å; P143-Y145 HydrophobicContact CG-CE2 4.02Å; Y145-A219 HydrophobicContact CD1-CB 4.38Å; Y145-A219 HydrophobicContact CD2-CB 4.29Å; Y145-A219 HydrophobicContact CE1-CB 4.08Å; Y145-A219 HydrophobicContact CE2-CB 3.99Å; Y145-A219 HydrophobicContact CG-CB 4.47Å; Y145-G220 WeakPolarHBondContact CA-O 3.49Å; Y145-F248 HydrophobicContact CD1-CE2 4.44Å; Y145-F248 HydrophobicContact CE1-CE2 4.06Å; Y145-L466 HydrophobicContact CD1-CD1 3.83Å; Y145-L466 HydrophobicContact CE1-CD1 3.61Å; Y145-L466 HydrophobicContact CG-CD1 4.49Å; Y145-W470 AromaticContact CD2-NE1 3.5Å; Y145-W470 AromaticContact CE2-CD1 3.59Å; Y145-W470 AromaticContact CE2-NE1 3.13Å; Y145-W470 AromaticContact CZ-CD1 3.99Å; Y145-W470 AromaticContact CZ-NE1 3.6Å
146F97.5Very high93.1Very high0 Ų035.2 Ų35.20%019%0.186CC..EExtended strand (participates in β ladder)trans-110.1132.5172.8-67.1-85000110.5M123 P131 T214 M215 G220 I221 I222M123-F146 HydrophobicContact CB-CD1 4.05Å; M123-F146 HydrophobicContact CB-CE1 4.13Å; M123-F146 HydrophobicContact CE-CE1 4.26Å; M123-F146 CarbonylContact O-C 3.53Å; M123-F146 VanDerWaalsContact O-CA 3.28Å; M123-F146 WeakPolarHBondContact O-CA 3.18Å; M123-F146 HydrophobicContact SD-CE1 4.41Å; P131-F146 HydrophobicContact CG-CE2 4.28Å; P131-F146 HydrophobicContact CG-CZ 3.66Å; F146-T214 HydrophobicContact CE1-CG2 3.93Å; F146-T214 HydrophobicContact CE2-CG2 4.44Å; F146-T214 WeakPolarHBondContact CE2-O 3.36Å; F146-T214 HydrophobicContact CZ-CG2 3.5Å; F146-T214 VanDerWaalsContact CZ-CG2 3.5Å; F146-M215 HydrophobicContact CB-CE 4.28Å; F146-M215 HydrophobicContact CB-CG 4.19Å; F146-M215 HydrophobicContact CD1-CG 4.12Å; F146-M215 HydrophobicContact CD2-CB 4.32Å; F146-M215 HydrophobicContact CD2-CG 4.23Å; F146-M215 HydrophobicContact CG-CB 4.47Å; F146-M215 HydrophobicContact CG-CG 3.91Å; F146-G220 PolarHBondContact N-O 3.05Å; F146-I221 CarbonylContact O-C 3.58Å; F146-I221 WeakPolarHBondContact O-CA 3.04Å; F146-I222 PolarHBondContact O-N 2.88Å
147Y97.7Very high93.2Very high0 Ų029.8 Ų29.80%016%0.161CC..EExtended strand (participates in β ladder)trans-98.2111.8169.1-175.8-139.9000109.3S18 M19 L22 M123 F125 T149 I222 N224S18-Y147 VanDerWaalsContact OG-CE1 3.23Å; S18-Y147 WeakPolarHBondContact OG-CE1 3.45Å; S18-Y147 PolarHBondContact OG-OH 3.43Å; M19-Y147 HydrophobicContact CE-CD1 3.85Å; M19-Y147 HydrophobicContact CE-CG 4.48Å; M19-Y147 HydrophobicContact SD-CD1 3.68Å; M19-Y147 HydrophobicContact SD-CE1 4.46Å; M19-Y147 HydrophobicContact SD-CG 4.38Å; L22-Y147 HydrophobicContact CB-CE1 4.24Å; L22-Y147 HydrophobicContact CD2-CD1 3.92Å; L22-Y147 HydrophobicContact CD2-CD2 3.93Å; L22-Y147 HydrophobicContact CD2-CE1 4.03Å; L22-Y147 HydrophobicContact CD2-CE2 4.06Å; L22-Y147 HydrophobicContact CD2-CG 3.86Å; M123-Y147 PolarHBondContact O-N 2.92Å; F125-Y147 PolarHBondContact N-O 3.47Å; F125-Y147 VanDerWaalsContact N-O 3.11Å; Y147-T149 HydrophobicContact CD1-CG2 3.62Å; Y147-T149 HydrophobicContact CE1-CG2 3.73Å; Y147-T149 HydrophobicContact CG-CG2 4.33Å; Y147-T149 PolarHBondContact O-N 3.34Å; Y147-I222 CarbonylContact C-O 3.55Å; Y147-I222 WeakPolarHBondContact CA-O 3.31Å; Y147-I222 HydrophobicContact CD2-CB 3.9Å; Y147-I222 HydrophobicContact CD2-CG2 3.67Å; Y147-I222 WeakPolarHBondContact CD2-O 2.92Å; Y147-I222 HydrophobicContact CE2-CG2 4.02Å; Y147-N224 HydrophobicContact CE2-CB 4.05Å; Y147-N224 WeakPolarHBondContact OH-CB 3.34Å; Y147-N224 PolarHBondContact OH-ND2 3.27Å
148Y96.3Very high93.3Very high10 Ų1026.4 Ų26.44%0.03914%0.143CC..EExtended strand (participates in β ladder)trans-86.7105.4174.4-164.8-105.5000109F125 S150 G151 P154 L155 L158 M215 I222 V223 N224F125-Y148 HydrophobicContact CB-CD2 3.79Å; F125-Y148 HydrophobicContact CB-CE2 4.49Å; F125-Y148 AromaticContact CD1-CD2 3.81Å; F125-Y148 HydrophobicContact CD1-CD2 3.81Å; F125-Y148 HydrophobicContact CD1-CE2 4.17Å; F125-Y148 AromaticContact CD2-CD2 3.75Å; F125-Y148 HydrophobicContact CD2-CD2 3.75Å; F125-Y148 AromaticContact CD2-CE2 3.59Å; F125-Y148 HydrophobicContact CD2-CE2 3.59Å; F125-Y148 HydrophobicContact CE1-CD2 4.29Å; F125-Y148 HydrophobicContact CE1-CE2 4.27Å; F125-Y148 HydrophobicContact CE2-CD2 4.26Å; F125-Y148 AromaticContact CE2-CE2 3.71Å; F125-Y148 HydrophobicContact CE2-CE2 3.71Å; F125-Y148 AromaticContact CG-CD2 3.49Å; F125-Y148 HydrophobicContact CG-CD2 3.49Å; F125-Y148 VanDerWaalsContact CG-CD2 3.49Å; F125-Y148 AromaticContact CG-CE2 3.83Å; F125-Y148 HydrophobicContact CG-CE2 3.83Å; F125-Y148 HydrophobicContact CZ-CD2 4.49Å; F125-Y148 HydrophobicContact CZ-CE2 4.04Å; Y148-S150 PolarHBondContact O-N 2.83Å; Y148-G151 WeakPolarHBondContact CE1-O 3.3Å; Y148-P154 HydrophobicContact CE1-CB 4.5Å; Y148-P154 HydrophobicContact CE1-CG 4.24Å; Y148-P154 VanDerWaalsContact OH-C 3.26Å; Y148-P154 PolarHBondContact OH-O 3.28Å; Y148-L155 HydrophobicContact CD1-CB 3.73Å; Y148-L155 HydrophobicContact CD1-CD1 4.24Å; Y148-L155 HydrophobicContact CD1-CG 4.4Å; Y148-L155 HydrophobicContact CD2-CD1 3.91Å; Y148-L155 HydrophobicContact CE1-CB 3.56Å; Y148-L155 HydrophobicContact CE1-CD1 4.44Å; Y148-L155 HydrophobicContact CE2-CD1 4.16Å; Y148-L155 HydrophobicContact CG-CB 4.31Å; Y148-L155 HydrophobicContact CG-CD1 3.95Å; Y148-L155 PolarHBondContact OH-N 3.27Å; Y148-L158 HydrophobicContact CD2-CD2 4.27Å; Y148-L158 HydrophobicContact CE2-CD2 3.49Å; Y148-L158 VanDerWaalsContact CE2-CD2 3.49Å; Y148-M215 HydrophobicContact CD2-CE 3.95Å; Y148-M215 HydrophobicContact CD2-SD 4.39Å; Y148-I222 PolarHBondContact N-O 2.8Å; Y148-V223 HydrophobicContact CD1-CG1 4.34Å; Y148-N224 PolarHBondContact O-N 3.39Å
149T90.1Very high93.3Very high12 Ų1226 Ų267%0.07414%0.141CC..  trans-82.933.5-175.4630000112.5H15 Y147H15-T149 PolarHBondContact CE1-OG1 2.92Å; H15-T149 VanDerWaalsContact CE1-OG1 3.22Å; H15-T149 PolarHBondContact ND1-OG1 3.38Å; Y147-T149 HydrophobicContact CD1-CG2 3.62Å; Y147-T149 HydrophobicContact CE1-CG2 3.73Å; Y147-T149 HydrophobicContact CG-CG2 4.33Å; Y147-T149 PolarHBondContact O-N 3.34Å
150S93.2Very high94Very high1 Ų120.4 Ų20.41%0.00711%0.108CC..SBendtrans-142.9-169.8173.2-161.10000109.6Y148 P154 V223 W370 E391Y148-S150 PolarHBondContact O-N 2.83Å; S150-P154 WeakPolarHBondContact OG-CG 3.44Å; S150-V223 WeakPolarHBondContact O-CG1 3.29Å; S150-W370 VanDerWaalsContact C-CD1 3.4Å; S150-W370 VanDerWaalsContact CA-CD1 3.42Å; S150-E391 PolarHBondContact OG-OE1 2.96Å
151G95.2Very high94.4Very high0 Ų016.1 Ų16.10%09%0.085CC..  trans-78.5168-177.200000114.9Y148 S153 P154 L155 E230 W370Y148-G151 WeakPolarHBondContact CE1-O 3.3Å; G151-S153 PolarHBondContact O-N 3.21Å; G151-P154 WeakPolarHBondContact O-CD 3.36Å; G151-P154 WeakPolarHBondContact O-CG 3.45Å; G151-L155 WeakPolarHBondContact O-CB 3.31Å; G151-L155 PolarHBondContact O-N 3.33Å; G151-E230 WeakPolarHBondContact CA-OE1 3.01Å; G151-E230 VanDerWaalsContact CA-OE2 3.29Å; G151-E230 WeakPolarHBondContact CA-OE2 3.48Å; G151-W370 VanDerWaalsContact CA-CE2 3.44Å
152A96.4Very high94.5Very high0 Ų010.3 Ų10.30%06%0.056CC..Hα-helixtrans-62.6-30.817200000112.5L155 A156 T225 E230 A233 I234 L237A152-L155 WeakPolarHBondContact O-CB 3.49Å; A152-L155 PolarHBondContact O-N 3.06Å; A152-A156 PolarHBondContact O-N 2.86Å; A152-T225 HydrophobicContact CB-CG2 4.01Å; A152-E230 HydrophobicContact CB-CB 4.19Å; A152-E230 PolarHBondContact N-OE1 3.33Å; A152-E230 PolarHBondContact N-OE2 3.41Å; A152-A233 HydrophobicContact CB-CB 4.15Å; A152-I234 HydrophobicContact CB-CG1 3.6Å; A152-L237 HydrophobicContact CB-CD1 4.26Å; A152-L237 WeakPolarHBondContact O-CD1 3.43Å
153S95.8Very high94.3Very high0 Ų013.6 Ų13.60%08%0.078CC..Hα-helixtrans-68.4-51.8-179.4-66.50000113.7G151 L155 A156 L157 L185 E230 A233 V398G151-S153 PolarHBondContact O-N 3.21Å; S153-L155 PolarHBondContact O-N 3.27Å; S153-A156 PolarHBondContact O-N 3.35Å; S153-L157 PolarHBondContact O-N 3.42Å; S153-L185 WeakPolarHBondContact O-CD1 3.46Å; S153-L185 WeakPolarHBondContact OG-CD2 3.38Å; S153-E230 WeakPolarHBondContact CB-OE1 3.36Å; S153-E230 PolarHBondContact N-OE1 2.86Å; S153-E230 PolarHBondContact OG-OE1 2.78Å; S153-A233 WeakPolarHBondContact OG-CB 3.33Å; S153-V398 VanDerWaalsContact CB-CG2 3.46Å
154P94.7Very high94Very high6 Ų613 Ų134%0.0397%0.073CC..Hα-helixtrans-64.2-27.8170.323.6-32.2000113Y148 S150 G151 L157 L158 E391 M394Y148-P154 HydrophobicContact CE1-CB 4.5Å; Y148-P154 HydrophobicContact CE1-CG 4.24Å; Y148-P154 VanDerWaalsContact OH-C 3.26Å; Y148-P154 PolarHBondContact OH-O 3.28Å; S150-P154 WeakPolarHBondContact OG-CG 3.44Å; G151-P154 WeakPolarHBondContact O-CD 3.36Å; G151-P154 WeakPolarHBondContact O-CG 3.45Å; P154-L157 PolarHBondContact O-N 3.43Å; P154-L158 PolarHBondContact O-N 3.16Å; P154-E391 HydrophobicContact CB-CB 4.33Å; P154-E391 HydrophobicContact CB-CG 4.01Å; P154-E391 HydrophobicContact CG-CG 4.29Å; P154-M394 HydrophobicContact CB-CG 4.1Å
155L95.6Very high93.8Very high0 Ų013.2 Ų13.20%07%0.074CC..Hα-helixtrans-62.3-45.6171.2177.661.5000111.6Y148 G151 A152 S153 L157 L158 L159 M215 I221 V223 L237 L247Y148-L155 HydrophobicContact CD1-CB 3.73Å; Y148-L155 HydrophobicContact CD1-CD1 4.24Å; Y148-L155 HydrophobicContact CD1-CG 4.4Å; Y148-L155 HydrophobicContact CD2-CD1 3.91Å; Y148-L155 HydrophobicContact CE1-CB 3.56Å; Y148-L155 HydrophobicContact CE1-CD1 4.44Å; Y148-L155 HydrophobicContact CE2-CD1 4.16Å; Y148-L155 HydrophobicContact CG-CB 4.31Å; Y148-L155 HydrophobicContact CG-CD1 3.95Å; Y148-L155 PolarHBondContact OH-N 3.27Å; G151-L155 WeakPolarHBondContact O-CB 3.31Å; G151-L155 PolarHBondContact O-N 3.33Å; A152-L155 WeakPolarHBondContact O-CB 3.49Å; A152-L155 PolarHBondContact O-N 3.06Å; S153-L155 PolarHBondContact O-N 3.27Å; L155-L157 VanDerWaalsContact C-N 3.33Å; L155-L157 PolarHBondContact O-N 3.47Å; L155-L158 WeakPolarHBondContact O-CB 3.49Å; L155-L158 PolarHBondContact O-N 2.85Å; L155-L158 VanDerWaalsContact O-N 3.1Å; L155-L159 HydrophobicContact CD1-CD1 3.83Å; L155-L159 HydrophobicContact CD1-CD2 4.18Å; L155-L159 HydrophobicContact CD1-CG 3.79Å; L155-L159 HydrophobicContact CD2-CD1 4.39Å; L155-L159 HydrophobicContact CG-CD1 3.84Å; L155-L159 HydrophobicContact CG-CG 4.17Å; L155-L159 WeakPolarHBondContact O-CG 3.4Å; L155-L159 PolarHBondContact O-N 2.86Å; L155-M215 HydrophobicContact CD1-CE 3.6Å; L155-I221 HydrophobicContact CD1-CG2 4.42Å; L155-I221 HydrophobicContact CD2-CG2 3.94Å; L155-V223 HydrophobicContact CD2-CG2 3.54Å; L155-L237 HydrophobicContact CB-CD1 4.38Å; L155-L237 HydrophobicContact CD2-CD1 3.98Å; L155-L237 HydrophobicContact CG-CD1 4.13Å; L155-L247 HydrophobicContact CD2-CD1 3.69Å
156A94.6Very high93.3Very high0 Ų017.6 Ų17.60%010%0.095CC..Hα-helixtrans-58.5-46.2176.500000111.1A152 S153 L158 L159 Y160 I182 L185 L237A152-A156 PolarHBondContact O-N 2.86Å; S153-A156 PolarHBondContact O-N 3.35Å; A156-L158 VanDerWaalsContact C-N 3.27Å; A156-L158 PolarHBondContact O-N 2.95Å; A156-L159 PolarHBondContact O-N 2.9Å; A156-Y160 HydrophobicContact CB-CD2 4.39Å; A156-Y160 WeakPolarHBondContact O-CD2 3.39Å; A156-Y160 PolarHBondContact O-N 2.69Å; A156-I182 HydrophobicContact CB-CG2 4.14Å; A156-L185 HydrophobicContact CB-CD1 3.96Å; A156-L237 HydrophobicContact CB-CD1 4.15Å; A156-L237 HydrophobicContact CB-CD2 3.99Å; A156-L237 HydrophobicContact CB-CG 4.08Å
157L92.9Very high92.9Very high16 Ų1620.2 Ų20.28%0.08411%0.111CC..Hα-helixtrans-55.1-43.9173.7175.761.8000112.5S153 P154 L155 Y161 I164 I182 I188 F193 M394S153-L157 PolarHBondContact O-N 3.42Å; P154-L157 PolarHBondContact O-N 3.43Å; L155-L157 VanDerWaalsContact C-N 3.33Å; L155-L157 PolarHBondContact O-N 3.47Å; L157-Y161 WeakPolarHBondContact O-CA 3.15Å; L157-Y161 WeakPolarHBondContact O-CB 3.44Å; L157-Y161 PolarHBondContact O-N 2.83Å; L157-I164 HydrophobicContact CD1-CD1 4.22Å; L157-I182 HydrophobicContact CB-CD1 4.05Å; L157-I182 HydrophobicContact CD1-CD1 3.62Å; L157-I182 HydrophobicContact CG-CD1 4.45Å; L157-I188 HydrophobicContact CD1-CD1 4.15Å; L157-F193 HydrophobicContact CD1-CE1 4.03Å; L157-F193 HydrophobicContact CD1-CZ 4.04Å; L157-F193 HydrophobicContact CD2-CE1 4.34Å; L157-M394 HydrophobicContact CB-CE 4.17Å; L157-M394 HydrophobicContact CD2-CE 4.41Å; L157-M394 HydrophobicContact CD2-CG 4.48Å; L157-M394 HydrophobicContact CD2-SD 4.16Å
158L93.6Very high92.5Very high13 Ų1320.8 Ų20.87%0.06811%0.113CC..Hα-helixtrans-65-46179.1179.562.1000112.4F125 Y148 P154 L155 A156 Y161 F208 I211 A212 M215F125-L158 HydrophobicContact CD2-CD2 4.14Å; F125-L158 HydrophobicContact CE2-CD2 4.46Å; Y148-L158 HydrophobicContact CD2-CD2 4.27Å; Y148-L158 HydrophobicContact CE2-CD2 3.49Å; Y148-L158 VanDerWaalsContact CE2-CD2 3.49Å; P154-L158 PolarHBondContact O-N 3.16Å; L155-L158 WeakPolarHBondContact O-CB 3.49Å; L155-L158 PolarHBondContact O-N 2.85Å; L155-L158 VanDerWaalsContact O-N 3.1Å; A156-L158 VanDerWaalsContact C-N 3.27Å; A156-L158 PolarHBondContact O-N 2.95Å; L158-Y161 WeakPolarHBondContact O-CB 3.17Å; L158-Y161 PolarHBondContact O-N 3.28Å; L158-Y161 VanDerWaalsContact O-N 3.14Å; L158-F208 HydrophobicContact CD1-CB 4.11Å; L158-F208 HydrophobicContact CD1-CD1 4.09Å; L158-F208 HydrophobicContact CD1-CG 4.46Å; L158-F208 WeakPolarHBondContact CD1-O 3.39Å; L158-I211 HydrophobicContact CD1-CB 4.43Å; L158-I211 HydrophobicContact CD1-CG2 4.07Å; L158-I211 HydrophobicContact CD2-CG2 3.75Å; L158-I211 HydrophobicContact CG-CG2 4.35Å; L158-A212 HydrophobicContact CD1-CB 4.24Å; L158-A212 HydrophobicContact CG-CB 4.35Å; L158-A212 WeakPolarHBondContact O-CB 2.94Å; L158-M215 HydrophobicContact CD2-SD 3.84Å
159L93.5Very high92.1Very high11 Ų1122 Ų226%0.05812%0.12CC..Hα-helixtrans-72.1-35.6-177.2-62.7179.8000112.8L155 A156 Y161 P162 M215 M216 I221 L237 V243L155-L159 HydrophobicContact CD1-CD1 3.83Å; L155-L159 HydrophobicContact CD1-CD2 4.18Å; L155-L159 HydrophobicContact CD1-CG 3.79Å; L155-L159 HydrophobicContact CD2-CD1 4.39Å; L155-L159 HydrophobicContact CG-CD1 3.84Å; L155-L159 HydrophobicContact CG-CG 4.17Å; L155-L159 WeakPolarHBondContact O-CG 3.4Å; L155-L159 PolarHBondContact O-N 2.86Å; A156-L159 PolarHBondContact O-N 2.9Å; L159-Y161 PolarHBondContact O-N 2.99Å; L159-P162 WeakPolarHBondContact O-CD 3.31Å; L159-M215 HydrophobicContact CD2-CB 4.42Å; L159-M216 HydrophobicContact CD2-CG 4.15Å; L159-M216 HydrophobicContact CD2-SD 3.86Å; L159-I221 HydrophobicContact CD1-CD1 4.06Å; L159-I221 HydrophobicContact CD2-CD1 4.25Å; L159-L237 HydrophobicContact CD1-CD2 3.93Å; L159-V243 HydrophobicContact CD1-CG1 3.67Å
160Y91.8Very high92Very high32 Ų3225.4 Ų25.413%0.12514%0.136CC..THydrogen-bonded Turntrans-820.2171.1-68.4-76.4000112.8A156 P162 P163 I164 I182 L237 D240A156-Y160 HydrophobicContact CB-CD2 4.39Å; A156-Y160 WeakPolarHBondContact O-CD2 3.39Å; A156-Y160 PolarHBondContact O-N 2.69Å; Y160-P162 VanDerWaalsContact C-CD 3.49Å; Y160-P163 WeakPolarHBondContact O-CD 3.36Å; Y160-P163 VanDerWaalsContact O-CG 3.27Å; Y160-P163 WeakPolarHBondContact O-CG 3.07Å; Y160-I164 WeakPolarHBondContact O-CB 3.25Å; Y160-I164 VanDerWaalsContact O-CD1 3.24Å; Y160-I164 WeakPolarHBondContact O-CD1 3.27Å; Y160-I164 WeakPolarHBondContact O-CG1 3.04Å; Y160-I164 PolarHBondContact O-N 3.41Å; Y160-I182 HydrophobicContact CD2-CG2 3.34Å; Y160-I182 HydrophobicContact CE2-CG2 3.77Å; Y160-I182 HydrophobicContact CG-CG2 4.03Å; Y160-L237 HydrophobicContact CE2-CD2 4.38Å; Y160-D240 WeakPolarHBondContact CE1-OD2 3.49Å; Y160-D240 VanDerWaalsContact CZ-OD2 3.31Å; Y160-D240 PolarHBondContact OH-OD2 3.37Å
161Y91.3Very high91.7Very high10 Ų1027.5 Ų27.54%0.03915%0.145CC..Hα-helixtrans-59.7-39.2-176.5-165.2-121.7000113.8L157 L158 L159 I164 N165 L168 F193 C205 F208 L209L157-Y161 WeakPolarHBondContact O-CA 3.15Å; L157-Y161 WeakPolarHBondContact O-CB 3.44Å; L157-Y161 PolarHBondContact O-N 2.83Å; L158-Y161 WeakPolarHBondContact O-CB 3.17Å; L158-Y161 PolarHBondContact O-N 3.28Å; L158-Y161 VanDerWaalsContact O-N 3.14Å; L159-Y161 PolarHBondContact O-N 2.99Å; Y161-I164 HydrophobicContact CD2-CG2 4.41Å; Y161-I164 CarbonylContact O-C 3.57Å; Y161-I164 PolarHBondContact O-N 3.37Å; Y161-I164 VanDerWaalsContact O-N 3.15Å; Y161-N165 HydrophobicContact CE1-CB 4.21Å; Y161-N165 HydrophobicContact CE2-CB 4.43Å; Y161-N165 VanDerWaalsContact O-CB 3.32Å; Y161-N165 WeakPolarHBondContact O-CB 3.37Å; Y161-N165 PolarHBondContact O-N 2.72Å; Y161-N165 PolarHBondContact OH-OD1 2.57Å; Y161-L168 HydrophobicContact CE2-CD1 3.91Å; Y161-F193 HydrophobicContact CE2-CE1 4.31Å; Y161-C205 HydrophobicContact CE1-CB 4.26Å; Y161-C205 VanDerWaalsContact OH-CB 3.27Å; Y161-C205 WeakPolarHBondContact OH-CB 3.37Å; Y161-C205 PolarHBondContact OH-SG 3.11Å; Y161-F208 HydrophobicContact CD1-CB 4.12Å; Y161-F208 HydrophobicContact CE1-CB 4.16Å; Y161-L209 HydrophobicContact CD1-CD2 3.62Å; Y161-L209 HydrophobicContact CD1-CG 3.94Å; Y161-L209 HydrophobicContact CE1-CD2 4.04Å; Y161-L209 HydrophobicContact CE1-CG 4Å; Y161-L209 HydrophobicContact CG-CD2 4.48Å
162P90.4Very high91.1Very high45 Ų4532 Ų3229%0.29216%0.164SC..Hα-helixtrans-54.6-54.5179.5-25.534.8000115.1L159 Y160 I164 L209 A212L159-P162 WeakPolarHBondContact O-CD 3.31Å; Y160-P162 VanDerWaalsContact C-CD 3.49Å; P162-I164 VanDerWaalsContact C-N 3.35Å; P162-I164 PolarHBondContact O-N 3.22Å; P162-L209 VanDerWaalsContact CA-CD2 3.5Å; P162-L209 HydrophobicContact CB-CD2 4.05Å; P162-L209 HydrophobicContact CG-CD2 4.06Å; P162-A212 HydrophobicContact CG-CB 4.18Å
163P90.6Very high90.3Very high82 Ų8238.1 Ų38.153%0.53220%0.197SC..Hα-helixtrans-67.5-33.1173.925.3-33.9000113Y160 V167Y160-P163 WeakPolarHBondContact O-CD 3.36Å; Y160-P163 VanDerWaalsContact O-CG 3.27Å; Y160-P163 WeakPolarHBondContact O-CG 3.07Å; P163-V167 PolarHBondContact O-N 2.89Å
164I90.1Very high89.8Confident14 Ų1444.3 Ų44.37%0.07222%0.224CC..Hα-helixtrans-64.2-42.9178.1-70.7165.8000111L157 Y160 Y161 P162 Q166 V167 L168 I180 I182L157-I164 HydrophobicContact CD1-CD1 4.22Å; Y160-I164 WeakPolarHBondContact O-CB 3.25Å; Y160-I164 VanDerWaalsContact O-CD1 3.24Å; Y160-I164 WeakPolarHBondContact O-CD1 3.27Å; Y160-I164 WeakPolarHBondContact O-CG1 3.04Å; Y160-I164 PolarHBondContact O-N 3.41Å; Y161-I164 HydrophobicContact CD2-CG2 4.41Å; Y161-I164 CarbonylContact O-C 3.57Å; Y161-I164 PolarHBondContact O-N 3.37Å; Y161-I164 VanDerWaalsContact O-N 3.15Å; P162-I164 VanDerWaalsContact C-N 3.35Å; P162-I164 PolarHBondContact O-N 3.22Å; I164-Q166 VanDerWaalsContact C-N 3.26Å; I164-Q166 PolarHBondContact O-N 3.47Å; I164-V167 CarbonylContact O-C 3.55Å; I164-V167 WeakPolarHBondContact O-CA 3.45Å; I164-V167 WeakPolarHBondContact O-CB 3.41Å; I164-V167 PolarHBondContact O-N 2.68Å; I164-L168 HydrophobicContact CG2-CD1 4.1Å; I164-L168 HydrophobicContact CG2-CD2 4.31Å; I164-L168 HydrophobicContact CG2-CG 3.95Å; I164-L168 WeakPolarHBondContact O-CG 3.21Å; I164-L168 PolarHBondContact O-N 3.12Å; I164-I180 HydrophobicContact CD1-CG2 3.76Å; I164-I180 HydrophobicContact CG1-CG2 3.88Å; I164-I180 HydrophobicContact CG2-CD1 4.12Å; I164-I180 HydrophobicContact CG2-CG1 4.21Å; I164-I180 HydrophobicContact CG2-CG2 4.12Å; I164-I182 HydrophobicContact CD1-CD1 3.39Å; I164-I182 HydrophobicContact CD1-CG1 3.79Å
165N90.4Very high89.1Confident15 Ų1551.7 Ų51.78%0.0826%0.263CS..Hα-helixtrans-59.2-38.9-176.6-171.662.5000111.7Y161 V167 L168 I169 P200 L209Y161-N165 HydrophobicContact CE1-CB 4.21Å; Y161-N165 HydrophobicContact CE2-CB 4.43Å; Y161-N165 VanDerWaalsContact O-CB 3.32Å; Y161-N165 WeakPolarHBondContact O-CB 3.37Å; Y161-N165 PolarHBondContact O-N 2.72Å; Y161-N165 PolarHBondContact OH-OD1 2.57Å; N165-V167 PolarHBondContact O-N 2.86Å; N165-L168 WeakPolarHBondContact O-CB 3.5Å; N165-L168 PolarHBondContact O-N 3.43Å; N165-I169 WeakPolarHBondContact O-CG1 3.48Å; N165-I169 PolarHBondContact O-N 2.98Å; N165-P200 WeakPolarHBondContact OD1-CB 3.41Å; N165-P200 PolarHBondContact OD1-O 3.45Å; N165-L209 HydrophobicContact CB-CD2 4.01Å
166Q88.8Confident88.3Confident102 Ų10256.6 Ų56.648%0.47729%0.286SS..Hα-helixtrans-60.7-44.8173.5-177.15733.100111.7I164 L168 I169 E170I164-Q166 VanDerWaalsContact C-N 3.26Å; I164-Q166 PolarHBondContact O-N 3.47Å; Q166-L168 VanDerWaalsContact C-N 3.32Å; Q166-L168 PolarHBondContact O-N 3.26Å; Q166-I169 PolarHBondContact O-N 3.08Å; Q166-E170 PolarHBondContact NE2-OE1 3.48Å; Q166-E170 WeakPolarHBondContact O-CG 3.46Å; Q166-E170 PolarHBondContact O-N 3.46Å; Q166-E170 VanDerWaalsContact O-N 3.12Å
167V88.7Confident87.5Confident56 Ų5661.7 Ų61.734%0.33932%0.319SS..Hα-helixtrans-63.8-37175.2177.50000111.6P163 I164 N165 E170 K171 I180P163-V167 PolarHBondContact O-N 2.89Å; I164-V167 CarbonylContact O-C 3.55Å; I164-V167 WeakPolarHBondContact O-CA 3.45Å; I164-V167 WeakPolarHBondContact O-CB 3.41Å; I164-V167 PolarHBondContact O-N 2.68Å; N165-V167 PolarHBondContact O-N 2.86Å; V167-E170 PolarHBondContact O-N 3.33Å; V167-K171 HydrophobicContact CG1-CD 4.14Å; V167-K171 HydrophobicContact CG1-CG 4.31Å; V167-K171 WeakPolarHBondContact O-CB 3.29Å; V167-K171 WeakPolarHBondContact O-CG 3.47Å; V167-K171 PolarHBondContact O-N 3.02Å; V167-I180 HydrophobicContact CG1-CD1 4.22Å
168L88.2Confident87Confident11 Ų1162.6 Ų62.66%0.05832%0.324CS..Hα-helixtrans-62.3-45.4176.9-64.8-177000111.6Y161 I164 N165 Q166 K171 K172 L178 I180 F193 P200Y161-L168 HydrophobicContact CE2-CD1 3.91Å; I164-L168 HydrophobicContact CG2-CD1 4.1Å; I164-L168 HydrophobicContact CG2-CD2 4.31Å; I164-L168 HydrophobicContact CG2-CG 3.95Å; I164-L168 WeakPolarHBondContact O-CG 3.21Å; I164-L168 PolarHBondContact O-N 3.12Å; N165-L168 WeakPolarHBondContact O-CB 3.5Å; N165-L168 PolarHBondContact O-N 3.43Å; Q166-L168 VanDerWaalsContact C-N 3.32Å; Q166-L168 PolarHBondContact O-N 3.26Å; L168-K171 PolarHBondContact O-N 3.27Å; L168-K172 WeakPolarHBondContact O-CB 3.16Å; L168-K172 PolarHBondContact O-N 3.42Å; L168-L178 HydrophobicContact CD2-CD1 3.17Å; L168-L178 HydrophobicContact CD2-CD2 3.55Å; L168-L178 HydrophobicContact CD2-CG 3.99Å; L168-I180 HydrophobicContact CD2-CD1 4.13Å; L168-I180 HydrophobicContact CD2-CG1 4.27Å; L168-F193 HydrophobicContact CD1-CE1 4.21Å; L168-F193 HydrophobicContact CD1-CZ 4.39Å; L168-P200 HydrophobicContact CB-CB 3.68Å; L168-P200 HydrophobicContact CB-CG 3.92Å; L168-P200 HydrophobicContact CD1-CB 4.24Å
169I89.1Confident86.8Confident35 Ų3567.7 Ų67.718%0.17935%0.347CS..Hα-helixtrans-59.9-50.4177.5-66.3165.5000109.6N165 Q166 K171 K172 D173 P200 L201N165-I169 WeakPolarHBondContact O-CG1 3.48Å; N165-I169 PolarHBondContact O-N 2.98Å; Q166-I169 PolarHBondContact O-N 3.08Å; I169-K171 VanDerWaalsContact C-N 3.34Å; I169-K171 PolarHBondContact O-N 3.11Å; I169-K172 PolarHBondContact O-N 2.92Å; I169-D173 PolarHBondContact O-N 3.05Å; I169-D173 VanDerWaalsContact O-N 3.13Å; I169-P200 HydrophobicContact CG1-CB 3.86Å; I169-P200 HydrophobicContact CG1-CG 3.84Å; I169-L201 HydrophobicContact CD1-CD2 3.73Å; I169-L201 HydrophobicContact CG1-CD2 3.9Å; I169-L201 HydrophobicContact CG1-CG 4.49Å
170E87.9Confident86.6Confident85 Ų8567.6 Ų67.640%0.39735%0.347SS..Hα-helixtrans-63.5-35.6-179.2-70.2174.1-161.900113.9Q166 V167 K174Q166-E170 PolarHBondContact NE2-OE1 3.48Å; Q166-E170 WeakPolarHBondContact O-CG 3.46Å; Q166-E170 PolarHBondContact O-N 3.46Å; Q166-E170 VanDerWaalsContact O-N 3.12Å; V167-E170 PolarHBondContact O-N 3.33Å; E170-K174 WeakPolarHBondContact O-CG 3.46Å
171K85.9Confident86.6Confident45 Ų4574 Ų7420%0.19638%0.378CS..Hα-helixtrans-73.4-37.5176.9-77.8-172.5176.8-168.30112.1V167 L168 I169 D173 K174 D175 Q176 L178 Q179V167-K171 HydrophobicContact CG1-CD 4.14Å; V167-K171 HydrophobicContact CG1-CG 4.31Å; V167-K171 WeakPolarHBondContact O-CB 3.29Å; V167-K171 WeakPolarHBondContact O-CG 3.47Å; V167-K171 PolarHBondContact O-N 3.02Å; L168-K171 PolarHBondContact O-N 3.27Å; I169-K171 VanDerWaalsContact C-N 3.34Å; I169-K171 PolarHBondContact O-N 3.11Å; K171-D173 VanDerWaalsContact C-N 3.31Å; K171-D173 PolarHBondContact O-N 2.93Å; K171-K174 CarbonylContact O-C 3.59Å; K171-K174 PolarHBondContact O-N 3.36Å; K171-K174 VanDerWaalsContact O-N 3.12Å; K171-D175 PolarHBondContact O-N 3.37Å; K171-Q176 HydrophobicContact CB-CB 4.46Å; K171-Q176 HydrophobicContact CG-CB 4.46Å; K171-Q176 PolarHBondContact O-N 3.11Å; K171-L178 HydrophobicContact CD-CD1 4.06Å; K171-Q179 PolarHBondContact NZ-O 3.32Å
172K83Confident86.7Confident95 Ų9573.9 Ų73.941%0.41338%0.377SS..Hα-helixtrans-60.3-42.3175.9178.8173.7168.5175.10110.9L168 I169 K174 D175 D199 P200L168-K172 WeakPolarHBondContact O-CB 3.16Å; L168-K172 PolarHBondContact O-N 3.42Å; I169-K172 PolarHBondContact O-N 2.92Å; K172-K174 PolarHBondContact O-N 3.02Å; K172-D175 PolarHBondContact O-N 2.79Å; K172-D199 IonicContact NZ-OD1 3.15Å; K172-D199 PolarHBondContact NZ-OD1 3.44Å; K172-D199 IonicContact NZ-OD2 3.66Å; K172-D199 PolarHBondContact NZ-OD2 3.02Å; K172-D199 VanDerWaalsContact NZ-OD2 3.17Å; K172-P200 HydrophobicContact CD-CG 4.21Å
173D80.2Confident86.8Confident128 Ų12875 Ų7568%0.68439%0.385SS*.THydrogen-bonded Turntrans-65-18.6177.1-69.5-14.8000113.8I169 K171I169-D173 PolarHBondContact O-N 3.05Å; I169-D173 VanDerWaalsContact O-N 3.13Å; K171-D173 VanDerWaalsContact C-N 3.31Å; K171-D173 PolarHBondContact O-N 2.93Å
174K84.2Confident86.9Confident129 Ų12972.1 Ų72.156%0.56137%0.37SS*.THydrogen-bonded Turntrans-109.15.2-176.4-65173.6-174.5164.90113.8E170 K171 K172 Q176E170-K174 WeakPolarHBondContact O-CG 3.46Å; K171-K174 CarbonylContact O-C 3.59Å; K171-K174 PolarHBondContact O-N 3.36Å; K171-K174 VanDerWaalsContact O-N 3.12Å; K172-K174 PolarHBondContact O-N 3.02Å; K174-Q176 HydrophobicContact CB-CG 3.88Å; K174-Q176 PolarHBondContact O-N 2.85Å; K174-Q176 VanDerWaalsContact O-N 3.16Å
175D80Confident87.1Confident161 Ų16172.6 Ų72.686%0.86137%0.373SS*.THydrogen-bonded Turntrans49.935.3-174.2-68.3-36.9000113.9K171 K172K171-D175 PolarHBondContact O-N 3.37Å; K172-D175 PolarHBondContact O-N 2.79Å
176Q78.4Confident87.2Confident103 Ų10373.4 Ų73.448%0.48138%0.379SS..  trans-88.7145.8-177.3-71.9-174.5-3.300112.7K171 K174 L178K171-Q176 HydrophobicContact CB-CB 4.46Å; K171-Q176 HydrophobicContact CG-CB 4.46Å; K171-Q176 PolarHBondContact O-N 3.11Å; K174-Q176 HydrophobicContact CB-CG 3.88Å; K174-Q176 PolarHBondContact O-N 2.85Å; K174-Q176 VanDerWaalsContact O-N 3.16Å; Q176-L178 PolarHBondContact O-N 3.12Å
177P78.8Confident87.5Confident107 Ų10771.3 Ų71.370%0.69537%0.373SS*.  trans-60.6132175.125.1-33.2000110.9Q179P177-Q179 PolarHBondContact O-N 2.91Å
178L82.3Confident87.7Confident36 Ų3668.6 Ų68.619%0.18836%0.357CS..  trans-79.6113.4-180-176.459.8000110.7L168 K171 Q176 I180 T189 A190 F193L168-L178 HydrophobicContact CD2-CD1 3.17Å; L168-L178 HydrophobicContact CD2-CD2 3.55Å; L168-L178 HydrophobicContact CD2-CG 3.99Å; K171-L178 HydrophobicContact CD-CD1 4.06Å; Q176-L178 PolarHBondContact O-N 3.12Å; L178-I180 HydrophobicContact CD1-CD1 3.67Å; L178-I180 HydrophobicContact CD1-CG1 3.66Å; L178-I180 HydrophobicContact CG-CG1 4.23Å; L178-T189 WeakPolarHBondContact O-CA 3.39Å; L178-A190 HydrophobicContact CB-CB 4.12Å; L178-A190 HydrophobicContact CD2-CB 4.08Å; L178-F193 HydrophobicContact CD2-CD2 4.11Å; L178-F193 HydrophobicContact CD2-CE2 3.8Å; L178-F193 HydrophobicContact CD2-CZ 4.48Å
179Q88.4Confident87.9Confident119 Ų11970.2 Ų70.256%0.55637%0.367SS*.EExtended strand (participates in β ladder)trans-132.4122.6166.1-65.5-175.56.100107.7K171 P177 T187 I188K171-Q179 PolarHBondContact NZ-O 3.32Å; P177-Q179 PolarHBondContact O-N 2.91Å; Q179-T187 HydrophobicContact CB-CG2 3.96Å; Q179-T187 HydrophobicContact CG-CG2 4.25Å; Q179-I188 WeakPolarHBondContact CA-O 3.41Å
180I90.4Very high87.7Confident10 Ų1070.7 Ų70.75%0.05138%0.376CS..EExtended strand (participates in β ladder)trans-119133.1178.4-58.3-62.2000108.1I164 V167 L168 L178 I182 I188 F193I164-I180 HydrophobicContact CD1-CG2 3.76Å; I164-I180 HydrophobicContact CG1-CG2 3.88Å; I164-I180 HydrophobicContact CG2-CD1 4.12Å; I164-I180 HydrophobicContact CG2-CG1 4.21Å; I164-I180 HydrophobicContact CG2-CG2 4.12Å; V167-I180 HydrophobicContact CG1-CD1 4.22Å; L168-I180 HydrophobicContact CD2-CD1 4.13Å; L168-I180 HydrophobicContact CD2-CG1 4.27Å; L178-I180 HydrophobicContact CD1-CD1 3.67Å; L178-I180 HydrophobicContact CD1-CG1 3.66Å; L178-I180 HydrophobicContact CG-CG1 4.23Å; I180-I182 HydrophobicContact CG2-CD1 4.35Å; I180-I182 HydrophobicContact CG2-CG1 3.9Å; I180-I188 HydrophobicContact CB-CB 4.41Å; I180-I188 PolarHBondContact N-O 3.07Å; I180-I188 PolarHBondContact O-N 3.32Å; I180-F193 HydrophobicContact CG1-CZ 4.5Å
181Q91.7Very high87.7Confident166 Ų16672 Ų7278%0.77639%0.386SS*.  trans-108.1126.2173-69.5-176.8-22.900108
182I92.3Very high88Confident7 Ų770.3 Ų70.34%0.03638%0.379CS..  trans-123.2133.8175.1-55.6-171.5000106.5A156 L157 Y160 I164 I180 G184 L185 I188A156-I182 HydrophobicContact CB-CG2 4.14Å; L157-I182 HydrophobicContact CB-CD1 4.05Å; L157-I182 HydrophobicContact CD1-CD1 3.62Å; L157-I182 HydrophobicContact CG-CD1 4.45Å; Y160-I182 HydrophobicContact CD2-CG2 3.34Å; Y160-I182 HydrophobicContact CE2-CG2 3.77Å; Y160-I182 HydrophobicContact CG-CG2 4.03Å; I164-I182 HydrophobicContact CD1-CD1 3.39Å; I164-I182 HydrophobicContact CD1-CG1 3.79Å; I180-I182 HydrophobicContact CG2-CD1 4.35Å; I180-I182 HydrophobicContact CG2-CG1 3.9Å; I182-G184 PolarHBondContact O-N 3.25Å; I182-L185 HydrophobicContact CB-CB 4.22Å; I182-L185 HydrophobicContact CB-CD1 3.88Å; I182-L185 HydrophobicContact CB-CG 4.32Å; I182-L185 HydrophobicContact CD1-CD1 4.17Å; I182-L185 HydrophobicContact CG2-CD1 3.91Å; I182-L185 HydrophobicContact CG2-CG 4.4Å; I182-L185 PolarHBondContact O-N 2.98Å; I182-I188 HydrophobicContact CD1-CD1 3.56Å; I182-I188 HydrophobicContact CG1-CD1 3.99Å
183P92.6Very high88.3Confident68 Ų6866.1 Ų66.144%0.44236%0.361SS..THydrogen-bonded Turntrans-49.5132.4174.4-2937.4000111.8L185 A236P183-L185 VanDerWaalsContact C-N 3.3Å; P183-L185 PolarHBondContact O-N 3.46Å; P183-A236 HydrophobicContact CB-CB 3.89Å; P183-A236 WeakPolarHBondContact O-CB 3.44Å
184G93.1Very high88.6Confident23 Ų2360.7 Ų60.724%0.23733%0.333CS..THydrogen-bonded Turntrans80.7-2.2-179.100000115.7I182 E232I182-G184 PolarHBondContact O-N 3.25Å; G184-E232 WeakPolarHBondContact CA-O 3.49Å; G184-E232 WeakPolarHBondContact O-CB 3.4Å
185L94.5Very high88.7Confident23 Ų2357.5 Ų57.512%0.1232%0.322CS..SBendtrans-119.3149.3-177.2-62.1-179.2000114S153 A156 I182 P183 I188 A233 M394S153-L185 WeakPolarHBondContact O-CD1 3.46Å; S153-L185 WeakPolarHBondContact OG-CD2 3.38Å; A156-L185 HydrophobicContact CB-CD1 3.96Å; I182-L185 HydrophobicContact CB-CB 4.22Å; I182-L185 HydrophobicContact CB-CD1 3.88Å; I182-L185 HydrophobicContact CB-CG 4.32Å; I182-L185 HydrophobicContact CD1-CD1 4.17Å; I182-L185 HydrophobicContact CG2-CD1 3.91Å; I182-L185 HydrophobicContact CG2-CG 4.4Å; I182-L185 PolarHBondContact O-N 2.98Å; P183-L185 VanDerWaalsContact C-N 3.3Å; P183-L185 PolarHBondContact O-N 3.46Å; L185-I188 HydrophobicContact CD1-CD1 4.13Å; L185-A233 HydrophobicContact CD2-CB 4.01Å; L185-M394 HydrophobicContact CD1-CE 3.62Å; L185-M394 HydrophobicContact CD2-CE 4.49Å
186P93.8Very high89Confident33 Ų3351.9 Ų51.921%0.21429%0.29CS..PPolyproline II helixtrans-58.7156164.6-20.332.3000111.4I188 M397 K401 E402P186-I188 WeakPolarHBondContact O-CG1 3.36Å; P186-I188 PolarHBondContact O-N 3.46Å; P186-I188 VanDerWaalsContact O-N 3.1Å; P186-M397 HydrophobicContact CB-SD 3.76Å; P186-M397 HydrophobicContact CG-SD 3.69Å; P186-K401 HydrophobicContact CB-CB 4.31Å; P186-K401 HydrophobicContact CB-CD 3.91Å; P186-K401 HydrophobicContact CG-CB 3.99Å; P186-K401 HydrophobicContact CG-CD 4.45Å; P186-E402 HydrophobicContact CG-CB 4.44Å
187T94.3Very high89.4Confident57 Ų5747.3 Ų47.335%0.3527%0.27SS..PPolyproline II helixtrans-53.8121.2173.5-55.80000110.6Q179 K401Q179-T187 HydrophobicContact CB-CG2 3.96Å; Q179-T187 HydrophobicContact CG-CG2 4.25Å; T187-K401 PolarHBondContact O-NZ 3.36Å
188I93.1Very high89.6Confident0 Ų048.4 Ų48.40%026%0.263CS..EExtended strand (participates in β ladder)trans-90.8129.9-179.2-51.6176.6000108.3L157 Q179 I180 I182 L185 P186 D192 F193 M394 M397L157-I188 HydrophobicContact CD1-CD1 4.15Å; Q179-I188 WeakPolarHBondContact CA-O 3.41Å; I180-I188 HydrophobicContact CB-CB 4.41Å; I180-I188 PolarHBondContact N-O 3.07Å; I180-I188 PolarHBondContact O-N 3.32Å; I182-I188 HydrophobicContact CD1-CD1 3.56Å; I182-I188 HydrophobicContact CG1-CD1 3.99Å; L185-I188 HydrophobicContact CD1-CD1 4.13Å; P186-I188 WeakPolarHBondContact O-CG1 3.36Å; P186-I188 PolarHBondContact O-N 3.46Å; P186-I188 VanDerWaalsContact O-N 3.1Å; I188-D192 HydrophobicContact CG2-CB 3.85Å; I188-F193 HydrophobicContact CG2-CD2 4.03Å; I188-F193 HydrophobicContact CG2-CE2 3.63Å; I188-F193 HydrophobicContact CG2-CZ 4.4Å; I188-M394 HydrophobicContact CD1-CE 3.68Å; I188-M394 HydrophobicContact CD1-SD 4.22Å; I188-M394 HydrophobicContact CG1-CE 4.31Å; I188-M397 HydrophobicContact CG1-CE 4.22Å
189T91.2Very high89.8Confident44 Ų4449.6 Ų49.627%0.2727%0.27SS..EExtended strand (participates in β ladder)trans-108.1171.5173.771.70000111L178 D191 D192 F193L178-T189 WeakPolarHBondContact O-CA 3.39Å; T189-D191 PolarHBondContact O-N 3.14Å; T189-D191 VanDerWaalsContact O-N 3.12Å; T189-D191 PolarHBondContact OG1-N 3.1Å; T189-D192 PolarHBondContact N-OD2 3.28Å; T189-D192 PolarHBondContact O-N 3.04Å; T189-F193 WeakPolarHBondContact O-CD2 3.24Å
190A86.2Confident89.8Confident45 Ų4544.2 Ų44.237%0.37225%0.246SC..G310 helixtrans-55.4-27.8175.700000114L178 D192 F193L178-A190 HydrophobicContact CB-CB 4.12Å; L178-A190 HydrophobicContact CD2-CB 4.08Å; A190-D192 PolarHBondContact O-N 3.45Å; A190-F193 PolarHBondContact O-N 2.93Å
191D88.3Confident89.8Confident114 Ų11448.6 Ų48.661%0.6127%0.268SS*.G310 helixtrans-76.6-11.7-179.2-63.6-34.2000113.5T189 R396T189-D191 PolarHBondContact O-N 3.14Å; T189-D191 VanDerWaalsContact O-N 3.12Å; T189-D191 PolarHBondContact OG1-N 3.1Å; D191-R396 PolarHBondContact O-NH2 2.97Å
192D92.2Very high89.8Confident9 Ų941.9 Ų41.95%0.04824%0.24CC..G310 helixtrans-95.3-12.4179.3-62.9-36.9000112I188 T189 A190 K393 M394 R396 M397 K401I188-D192 HydrophobicContact CG2-CB 3.85Å; T189-D192 PolarHBondContact N-OD2 3.28Å; T189-D192 PolarHBondContact O-N 3.04Å; A190-D192 PolarHBondContact O-N 3.45Å; D192-K393 CarbonylContact O-C 3.56Å; D192-M394 PolarHBondContact O-N 2.9Å; D192-M394 VanDerWaalsContact O-N 3.16Å; D192-R396 IonicContact OD1-NH2 2.8Å; D192-R396 PolarHBondContact OD1-NH2 3.03Å; D192-M397 HydrophobicContact CB-CB 4.32Å; D192-M397 HydrophobicContact CB-CG 4.39Å; D192-M397 WeakPolarHBondContact OD2-CG 3.31Å; D192-K401 IonicContact OD2-NZ 3.4Å; D192-K401 PolarHBondContact OD2-NZ 3.07Å
193F88.8Confident89.7Confident6 Ų645 Ų453%0.02625%0.252CS..SBendtrans-76.2152176.1-82.2-98.7000112.4L157 Y161 L168 L178 I180 I188 T189 A190 C197 K393L157-F193 HydrophobicContact CD1-CE1 4.03Å; L157-F193 HydrophobicContact CD1-CZ 4.04Å; L157-F193 HydrophobicContact CD2-CE1 4.34Å; Y161-F193 HydrophobicContact CE2-CE1 4.31Å; L168-F193 HydrophobicContact CD1-CE1 4.21Å; L168-F193 HydrophobicContact CD1-CZ 4.39Å; L178-F193 HydrophobicContact CD2-CD2 4.11Å; L178-F193 HydrophobicContact CD2-CE2 3.8Å; L178-F193 HydrophobicContact CD2-CZ 4.48Å; I180-F193 HydrophobicContact CG1-CZ 4.5Å; I188-F193 HydrophobicContact CG2-CD2 4.03Å; I188-F193 HydrophobicContact CG2-CE2 3.63Å; I188-F193 HydrophobicContact CG2-CZ 4.4Å; T189-F193 WeakPolarHBondContact O-CD2 3.24Å; A190-F193 PolarHBondContact O-N 2.93Å; F193-C197 HydrophobicContact CD1-CB 4.33Å; F193-K393 WeakPolarHBondContact O-CD 3.32Å
194P86.6Confident89.7Confident14 Ų1442.3 Ų42.39%0.09123%0.234CC..  trans-51.3144.3164.6-24.533.8000111.3E196 C197 A390P194-E196 PolarHBondContact O-N 3.08Å; P194-C197 HydrophobicContact CB-CB 4.21Å; P194-C197 HydrophobicContact CG-CB 4.46Å; P194-C197 PolarHBondContact O-N 3.13Å; P194-A390 WeakPolarHBondContact CB-O 3.36Å
195N85.8Confident89.6Confident62 Ų6241.2 Ų41.233%0.33222%0.223SC..G310 helixtrans-60.4-34.2-177.1-76-37.4000112.1C197 K198 K393N195-C197 PolarHBondContact O-N 3.45Å; N195-K198 WeakPolarHBondContact O-CG 3.45Å; N195-K393 PolarHBondContact OD1-NZ 2.98Å
196E86.1Confident89.6Confident43 Ų4344.8 Ų44.820%0.20124%0.239CC..G310 helixtrans-73.3-15.5180-59.275.1-161.300112.4P89 H91 L92 P194 S202 V204P89-E196 HydrophobicContact CG-CG 4.19Å; H91-E196 IonicContact CE1-OE1 3Å; H91-E196 PolarHBondContact CE1-OE1 2.77Å; H91-E196 IonicContact NE2-OE1 2.63Å; H91-E196 PolarHBondContact NE2-OE1 2.88Å; H91-E196 IonicContact NE2-OE2 3.75Å; L92-E196 HydrophobicContact CD1-CB 4.14Å; L92-E196 HydrophobicContact CD1-CG 3.81Å; P194-E196 PolarHBondContact O-N 3.08Å; E196-S202 PolarHBondContact O-OG 3.11Å; E196-V204 HydrophobicContact CB-CB 4.21Å; E196-V204 HydrophobicContact CB-CG1 3.93Å; E196-V204 HydrophobicContact CB-CG2 4.17Å
197C86.7Confident89.5Confident7 Ų743.4 Ų43.45%0.04723%0.23CC..G310 helixtrans-102.513.8-179.8-63.90000113.8F193 P194 N195 D199 C205 F208F193-C197 HydrophobicContact CD1-CB 4.33Å; P194-C197 HydrophobicContact CB-CB 4.21Å; P194-C197 HydrophobicContact CG-CB 4.46Å; P194-C197 PolarHBondContact O-N 3.13Å; N195-C197 PolarHBondContact O-N 3.45Å; C197-D199 PolarHBondContact O-N 3.02Å; C197-C205 VanDerWaalsContact CA-SG 3.56Å; C197-F208 WeakPolarHBondContact SG-CD2 3.35Å; C197-F208 WeakPolarHBondContact SG-CE2 3.38Å
198K83.3Confident89.5Confident130 Ų13042.6 Ų42.657%0.56522%0.221SC*.SBendtrans-67.7-26.2175.6-71.9-177.9179.2-178.60113N195N195-K198 WeakPolarHBondContact O-CG 3.45Å
199D87.2Confident89.5Confident61 Ų6144.1 Ų44.133%0.32623%0.229SC..SBendtrans-106.2111.2171.4-175.2-0.6000110.1K172 C197 L201 S202 C205K172-D199 IonicContact NZ-OD1 3.15Å; K172-D199 PolarHBondContact NZ-OD1 3.44Å; K172-D199 IonicContact NZ-OD2 3.66Å; K172-D199 PolarHBondContact NZ-OD2 3.02Å; K172-D199 VanDerWaalsContact NZ-OD2 3.17Å; C197-D199 PolarHBondContact O-N 3.02Å; D199-L201 PolarHBondContact O-N 2.98Å; D199-L201 VanDerWaalsContact O-N 3.11Å; D199-L201 PolarHBondContact OD1-N 3.47Å; D199-S202 WeakPolarHBondContact O-CB 3.39Å; D199-S202 PolarHBondContact O-N 2.97Å; D199-S202 PolarHBondContact O-OG 3.36Å; D199-C205 PolarHBondContact O-SG 2.82Å
200P88.2Confident89.7Confident7 Ų746.1 Ų46.15%0.04524%0.236CC..THydrogen-bonded Turntrans-63.7-15.4179.228-36.4000113.8N165 L168 I169 K172 C205N165-P200 WeakPolarHBondContact OD1-CB 3.41Å; N165-P200 PolarHBondContact OD1-O 3.45Å; L168-P200 HydrophobicContact CB-CB 3.68Å; L168-P200 HydrophobicContact CB-CG 3.92Å; L168-P200 HydrophobicContact CD1-CB 4.24Å; I169-P200 HydrophobicContact CG1-CB 3.86Å; I169-P200 HydrophobicContact CG1-CG 3.84Å; K172-P200 HydrophobicContact CD-CG 4.21Å; P200-C205 WeakPolarHBondContact O-CB 3.36Å
201L90.1Very high90.1Very high101 Ų10144 Ų4453%0.52922%0.218SC..THydrogen-bonded Turntrans-90.5-3.7175-59.4178.9000113.1I169 D199 Q206I169-L201 HydrophobicContact CD1-CD2 3.73Å; I169-L201 HydrophobicContact CG1-CD2 3.9Å; I169-L201 HydrophobicContact CG1-CG 4.49Å; D199-L201 PolarHBondContact O-N 2.98Å; D199-L201 VanDerWaalsContact O-N 3.11Å; D199-L201 PolarHBondContact OD1-N 3.47Å; L201-Q206 PolarHBondContact O-NE2 3.2Å
202S91.3Very high90.4Very high25 Ų2538.6 Ų38.618%0.17519%0.189CC..SBendtrans-61.5153.1-179.473.90000111.8E196 D199 V204 C205 Q206E196-S202 PolarHBondContact O-OG 3.11Å; D199-S202 WeakPolarHBondContact O-CB 3.39Å; D199-S202 PolarHBondContact O-N 2.97Å; D199-S202 PolarHBondContact O-OG 3.36Å; S202-V204 PolarHBondContact O-N 3.23Å; S202-C205 WeakPolarHBondContact O-CB 3.41Å; S202-C205 PolarHBondContact O-N 3.37Å; S202-C205 PolarHBondContact OG-N 3.38Å; S202-C205 VanDerWaalsContact OG-N 3.15Å; S202-C205 PolarHBondContact OG-SG 3.3Å; S202-Q206 PolarHBondContact O-N 2.81Å; S202-Q206 VanDerWaalsContact O-N 3.13Å
203Y91.5Very high90.4Very high73 Ų7344.1 Ų44.129%0.28622%0.215SC..Hα-helixtrans-55-38.3173.6171.2-94.9000112.1P86 L88 E96 Q206 V207P86-Y203 HydrophobicContact CG-CD2 4.26Å; P86-Y203 HydrophobicContact CG-CE1 4.48Å; P86-Y203 HydrophobicContact CG-CE2 4.16Å; P86-Y203 HydrophobicContact CG-CG 4.45Å; L88-Y203 HydrophobicContact CD1-CE1 4.11Å; L88-Y203 HydrophobicContact CD2-CD1 3.75Å; L88-Y203 HydrophobicContact CD2-CE1 3.85Å; L88-Y203 HydrophobicContact CG-CE1 4.48Å; E96-Y203 PolarHBondContact OE1-OH 2.85Å; Y203-Q206 WeakPolarHBondContact O-CB 3.48Å; Y203-Q206 PolarHBondContact O-N 2.74Å; Y203-V207 HydrophobicContact CD1-CG2 4.3Å; Y203-V207 HydrophobicContact CE1-CG2 3.71Å; Y203-V207 HydrophobicContact CE2-CG2 4.16Å; Y203-V207 WeakPolarHBondContact O-CG2 3.41Å; Y203-V207 PolarHBondContact O-N 2.9Å
204V91.2Very high90.6Very high12 Ų1245 Ų457%0.07322%0.221CC..Hα-helixtrans-65.8-42-179.9178.20000111.3L88 L92 E196 S202 Q206 V207 F208L88-V204 HydrophobicContact CD2-CG2 4.22Å; L92-V204 HydrophobicContact CD1-CB 4.33Å; L92-V204 HydrophobicContact CD1-CG1 3.75Å; L92-V204 HydrophobicContact CD1-CG2 3.56Å; E196-V204 HydrophobicContact CB-CB 4.21Å; E196-V204 HydrophobicContact CB-CG1 3.93Å; E196-V204 HydrophobicContact CB-CG2 4.17Å; S202-V204 PolarHBondContact O-N 3.23Å; V204-Q206 VanDerWaalsContact C-N 3.32Å; V204-Q206 PolarHBondContact O-N 2.67Å; V204-V207 PolarHBondContact O-N 3.34Å; V204-F208 HydrophobicContact CG1-CD2 3.84Å; V204-F208 HydrophobicContact CG1-CE2 3.4Å; V204-F208 VanDerWaalsContact CG1-CE2 3.4Å; V204-F208 HydrophobicContact CG1-CZ 4.2Å; V204-F208 WeakPolarHBondContact O-CD2 3.46Å; V204-F208 PolarHBondContact O-N 2.86Å
205C92.4Very high91Very high0 Ų044.4 Ų44.40%022%0.217CC..Hα-helixtrans-60.1-41.7173.2-69.80000112Y161 C197 D199 P200 S202 V207 F208 L209Y161-C205 HydrophobicContact CE1-CB 4.26Å; Y161-C205 VanDerWaalsContact OH-CB 3.27Å; Y161-C205 WeakPolarHBondContact OH-CB 3.37Å; Y161-C205 PolarHBondContact OH-SG 3.11Å; C197-C205 VanDerWaalsContact CA-SG 3.56Å; D199-C205 PolarHBondContact O-SG 2.82Å; P200-C205 WeakPolarHBondContact O-CB 3.36Å; S202-C205 WeakPolarHBondContact O-CB 3.41Å; S202-C205 PolarHBondContact O-N 3.37Å; S202-C205 PolarHBondContact OG-N 3.38Å; S202-C205 VanDerWaalsContact OG-N 3.15Å; S202-C205 PolarHBondContact OG-SG 3.3Å; C205-V207 VanDerWaalsContact C-N 3.32Å; C205-V207 PolarHBondContact O-N 3.46Å; C205-F208 PolarHBondContact O-N 3.44Å; C205-L209 WeakPolarHBondContact O-CG 3.43Å; C205-L209 PolarHBondContact O-N 3.18Å
206Q92.8Very high91.3Very high98 Ų9843.9 Ų43.946%0.45821%0.213SC..Hα-helixtrans-63-38.6176-64.4174.631.500112.1L201 S202 Y203 V204 L209 Q210L201-Q206 PolarHBondContact O-NE2 3.2Å; S202-Q206 PolarHBondContact O-N 2.81Å; S202-Q206 VanDerWaalsContact O-N 3.13Å; Y203-Q206 WeakPolarHBondContact O-CB 3.48Å; Y203-Q206 PolarHBondContact O-N 2.74Å; V204-Q206 VanDerWaalsContact C-N 3.32Å; V204-Q206 PolarHBondContact O-N 2.67Å; Q206-L209 WeakPolarHBondContact O-CB 3.5Å; Q206-L209 PolarHBondContact O-N 2.84Å; Q206-Q210 WeakPolarHBondContact O-CG 3.24Å; Q206-Q210 PolarHBondContact O-N 2.92Å
207V93.1Very high91.6Very high3 Ų345 Ų452%0.01824%0.237CC..Hα-helixtrans-64.8-41.1173.8171.80000111.2L95 F128 Y203 V204 C205 L209 Q210 I211L95-V207 HydrophobicContact CD1-CG1 4.03Å; L95-V207 HydrophobicContact CD2-CG1 4.2Å; F128-V207 HydrophobicContact CD1-CG1 4Å; F128-V207 HydrophobicContact CE1-CG1 3.55Å; F128-V207 HydrophobicContact CE2-CG1 4.14Å; F128-V207 HydrophobicContact CZ-CG1 3.61Å; F128-V207 HydrophobicContact CZ-CG2 4.24Å; Y203-V207 HydrophobicContact CD1-CG2 4.3Å; Y203-V207 HydrophobicContact CE1-CG2 3.71Å; Y203-V207 HydrophobicContact CE2-CG2 4.16Å; Y203-V207 WeakPolarHBondContact O-CG2 3.41Å; Y203-V207 PolarHBondContact O-N 2.9Å; V204-V207 PolarHBondContact O-N 3.34Å; C205-V207 VanDerWaalsContact C-N 3.32Å; C205-V207 PolarHBondContact O-N 3.46Å; V207-L209 VanDerWaalsContact C-N 3.32Å; V207-L209 PolarHBondContact O-N 3.08Å; V207-Q210 WeakPolarHBondContact O-CB 3.46Å; V207-Q210 PolarHBondContact O-N 3.46Å; V207-Q210 VanDerWaalsContact O-N 3.15Å; V207-I211 HydrophobicContact CG1-CD1 3.8Å; V207-I211 HydrophobicContact CG1-CG1 4.3Å; V207-I211 WeakPolarHBondContact O-CG1 3.42Å; V207-I211 PolarHBondContact O-N 3.2Å
208F92.6Very high91.9Very high40 Ų4045.4 Ų45.418%0.17524%0.242CC..Hα-helixtrans-65.6-32.4176.4-73.2-49.9000113.7L158 Y161 C197 V204 C205 I211 A212L158-F208 HydrophobicContact CD1-CB 4.11Å; L158-F208 HydrophobicContact CD1-CD1 4.09Å; L158-F208 HydrophobicContact CD1-CG 4.46Å; L158-F208 WeakPolarHBondContact CD1-O 3.39Å; Y161-F208 HydrophobicContact CD1-CB 4.12Å; Y161-F208 HydrophobicContact CE1-CB 4.16Å; C197-F208 WeakPolarHBondContact SG-CD2 3.35Å; C197-F208 WeakPolarHBondContact SG-CE2 3.38Å; V204-F208 HydrophobicContact CG1-CD2 3.84Å; V204-F208 HydrophobicContact CG1-CE2 3.4Å; V204-F208 VanDerWaalsContact CG1-CE2 3.4Å; V204-F208 HydrophobicContact CG1-CZ 4.2Å; V204-F208 WeakPolarHBondContact O-CD2 3.46Å; V204-F208 PolarHBondContact O-N 2.86Å; C205-F208 PolarHBondContact O-N 3.44Å; F208-I211 HydrophobicContact CD1-CD1 3.58Å; F208-I211 HydrophobicContact CE1-CD1 3.97Å; F208-I211 PolarHBondContact O-N 2.9Å; F208-A212 WeakPolarHBondContact O-CB 3.17Å; F208-A212 PolarHBondContact O-N 3.27Å
209L93.9Very high92.4Very high32 Ų3241 Ų4117%0.16823%0.23CC..Hα-helixtrans-60.7-47.6169.1-68.4170.8000111.3Y161 P162 N165 C205 Q206 V207 I211 A212 E213Y161-L209 HydrophobicContact CD1-CD2 3.62Å; Y161-L209 HydrophobicContact CD1-CG 3.94Å; Y161-L209 HydrophobicContact CE1-CD2 4.04Å; Y161-L209 HydrophobicContact CE1-CG 4Å; Y161-L209 HydrophobicContact CG-CD2 4.48Å; P162-L209 VanDerWaalsContact CA-CD2 3.5Å; P162-L209 HydrophobicContact CB-CD2 4.05Å; P162-L209 HydrophobicContact CG-CD2 4.06Å; N165-L209 HydrophobicContact CB-CD2 4.01Å; C205-L209 WeakPolarHBondContact O-CG 3.43Å; C205-L209 PolarHBondContact O-N 3.18Å; Q206-L209 WeakPolarHBondContact O-CB 3.5Å; Q206-L209 PolarHBondContact O-N 2.84Å; V207-L209 VanDerWaalsContact C-N 3.32Å; V207-L209 PolarHBondContact O-N 3.08Å; L209-I211 PolarHBondContact O-N 3.26Å; L209-A212 PolarHBondContact O-N 3.11Å; L209-E213 WeakPolarHBondContact O-CG 3.35Å; L209-E213 PolarHBondContact O-N 3.07Å
210Q94.7Very high92.9Very high87 Ų8738.1 Ų38.141%0.40721%0.214SC..Hα-helixtrans-63.9-39.5178-68175.924.900112.5F128 Q206 V207 T214F128-Q210 HydrophobicContact CD2-CB 4.04Å; F128-Q210 HydrophobicContact CE2-CB 4.44Å; Q206-Q210 WeakPolarHBondContact O-CG 3.24Å; Q206-Q210 PolarHBondContact O-N 2.92Å; V207-Q210 WeakPolarHBondContact O-CB 3.46Å; V207-Q210 PolarHBondContact O-N 3.46Å; V207-Q210 VanDerWaalsContact O-N 3.15Å; Q210-T214 WeakPolarHBondContact O-CB 3.44Å; Q210-T214 PolarHBondContact O-N 3.31Å; Q210-T214 PolarHBondContact O-OG1 2.93Å
211I95.1Very high93.3Very high0 Ų037.8 Ų37.80%021%0.212CC..Hα-helixtrans-57.7-51.7173-72.5162.2000109.8L95 F125 F128 L158 V207 F208 L209 E213 T214 M215L95-I211 HydrophobicContact CD2-CD1 4.28Å; F125-I211 HydrophobicContact CD2-CG2 3.94Å; F128-I211 HydrophobicContact CB-CB 4.24Å; F128-I211 HydrophobicContact CB-CG1 3.42Å; F128-I211 VanDerWaalsContact CB-CG1 3.42Å; F128-I211 HydrophobicContact CD1-CD1 4.25Å; F128-I211 HydrophobicContact CD1-CG1 3.87Å; F128-I211 HydrophobicContact CG-CG1 3.71Å; L158-I211 HydrophobicContact CD1-CB 4.43Å; L158-I211 HydrophobicContact CD1-CG2 4.07Å; L158-I211 HydrophobicContact CD2-CG2 3.75Å; L158-I211 HydrophobicContact CG-CG2 4.35Å; V207-I211 HydrophobicContact CG1-CD1 3.8Å; V207-I211 HydrophobicContact CG1-CG1 4.3Å; V207-I211 WeakPolarHBondContact O-CG1 3.42Å; V207-I211 PolarHBondContact O-N 3.2Å; F208-I211 HydrophobicContact CD1-CD1 3.58Å; F208-I211 HydrophobicContact CE1-CD1 3.97Å; F208-I211 PolarHBondContact O-N 2.9Å; L209-I211 PolarHBondContact O-N 3.26Å; I211-E213 PolarHBondContact O-N 2.8Å; I211-T214 PolarHBondContact O-N 2.94Å; I211-M215 HydrophobicContact CG2-CG 4.38Å; I211-M215 HydrophobicContact CG2-SD 3.87Å; I211-M215 WeakPolarHBondContact O-CB 3.43Å; I211-M215 VanDerWaalsContact O-CG 3.31Å; I211-M215 WeakPolarHBondContact O-CG 3.39Å; I211-M215 PolarHBondContact O-N 2.96Å
212A94.2Very high93.7Very high1 Ų133 Ų331%0.00819%0.187CC..Hα-helixtrans-58.8-50.6-17900000111.2L158 P162 F208 L209 T214 M215 M216L158-A212 HydrophobicContact CD1-CB 4.24Å; L158-A212 HydrophobicContact CG-CB 4.35Å; L158-A212 WeakPolarHBondContact O-CB 2.94Å; P162-A212 HydrophobicContact CG-CB 4.18Å; F208-A212 WeakPolarHBondContact O-CB 3.17Å; F208-A212 PolarHBondContact O-N 3.27Å; L209-A212 PolarHBondContact O-N 3.11Å; A212-T214 VanDerWaalsContact C-N 3.32Å; A212-T214 PolarHBondContact O-N 3.17Å; A212-M215 PolarHBondContact O-N 3.5Å; A212-M216 WeakPolarHBondContact O-CG 3.25Å; A212-M216 PolarHBondContact O-N 3.36Å; A212-M216 VanDerWaalsContact O-N 3.1Å
213E93.1Very high93.9Very high124 Ų12431.8 Ų31.858%0.57918%0.179SC*.Hα-helixtrans-57.9-43.8177.2-71.9173.3-177.200112.2L209 I211 M216 G217L209-E213 WeakPolarHBondContact O-CG 3.35Å; L209-E213 PolarHBondContact O-N 3.07Å; I211-E213 PolarHBondContact O-N 2.8Å; E213-M216 PolarHBondContact O-N 2.94Å; E213-G217 PolarHBondContact O-N 3.43Å
214T93.8Very high94.2Very high25 Ų2528.3 Ų28.315%0.15317%0.165CC..Hα-helixtrans-65.9-43.1-179-64.30000111.9F128 P131 F146 Q210 I211 A212 M216 G217F128-T214 PolarHBondContact O-OG1 3.48Å; F128-T214 VanDerWaalsContact O-OG1 3.13Å; P131-T214 HydrophobicContact CG-CG2 4.2Å; F146-T214 HydrophobicContact CE1-CG2 3.93Å; F146-T214 HydrophobicContact CE2-CG2 4.44Å; F146-T214 WeakPolarHBondContact CE2-O 3.36Å; F146-T214 HydrophobicContact CZ-CG2 3.5Å; F146-T214 VanDerWaalsContact CZ-CG2 3.5Å; Q210-T214 WeakPolarHBondContact O-CB 3.44Å; Q210-T214 PolarHBondContact O-N 3.31Å; Q210-T214 PolarHBondContact O-OG1 2.93Å; I211-T214 PolarHBondContact O-N 2.94Å; A212-T214 VanDerWaalsContact C-N 3.32Å; A212-T214 PolarHBondContact O-N 3.17Å; T214-M216 VanDerWaalsContact C-N 3.3Å; T214-M216 PolarHBondContact O-N 3.31Å; T214-G217 PolarHBondContact O-N 2.87Å
215M94.5Very high94.5Very high1 Ų127.8 Ų27.81%0.00516%0.162CC..Hα-helixtrans-62.5-38.7176.6-72.5179.268.600112.2F125 F146 Y148 L155 L158 L159 I211 A212 G217 G218 I221F125-M215 HydrophobicContact CB-CE 4.2Å; F125-M215 HydrophobicContact CB-SD 3.74Å; F146-M215 HydrophobicContact CB-CE 4.28Å; F146-M215 HydrophobicContact CB-CG 4.19Å; F146-M215 HydrophobicContact CD1-CG 4.12Å; F146-M215 HydrophobicContact CD2-CB 4.32Å; F146-M215 HydrophobicContact CD2-CG 4.23Å; F146-M215 HydrophobicContact CG-CB 4.47Å; F146-M215 HydrophobicContact CG-CG 3.91Å; Y148-M215 HydrophobicContact CD2-CE 3.95Å; Y148-M215 HydrophobicContact CD2-SD 4.39Å; L155-M215 HydrophobicContact CD1-CE 3.6Å; L158-M215 HydrophobicContact CD2-SD 3.84Å; L159-M215 HydrophobicContact CD2-CB 4.42Å; I211-M215 HydrophobicContact CG2-CG 4.38Å; I211-M215 HydrophobicContact CG2-SD 3.87Å; I211-M215 WeakPolarHBondContact O-CB 3.43Å; I211-M215 VanDerWaalsContact O-CG 3.31Å; I211-M215 WeakPolarHBondContact O-CG 3.39Å; I211-M215 PolarHBondContact O-N 2.96Å; A212-M215 PolarHBondContact O-N 3.5Å; M215-G217 PolarHBondContact O-N 3.37Å; M215-G218 PolarHBondContact O-N 2.89Å; M215-I221 HydrophobicContact CB-CD1 4.4Å; M215-I221 HydrophobicContact CE-CD1 3.88Å; M215-I221 HydrophobicContact CE-CG1 4.03Å; M215-I221 HydrophobicContact CE-CG2 3.76Å
216M92.2Very high94.7Very high51 Ų5127.9 Ų27.925%0.25116%0.162SC..Hα-helixtrans-66-23.5178.9-63.8-76.7-85.300112.5L159 A212 E213 T214 T242 V243 P244L159-M216 HydrophobicContact CD2-CG 4.15Å; L159-M216 HydrophobicContact CD2-SD 3.86Å; A212-M216 WeakPolarHBondContact O-CG 3.25Å; A212-M216 PolarHBondContact O-N 3.36Å; A212-M216 VanDerWaalsContact O-N 3.1Å; E213-M216 PolarHBondContact O-N 2.94Å; T214-M216 VanDerWaalsContact C-N 3.3Å; T214-M216 PolarHBondContact O-N 3.31Å; M216-T242 WeakPolarHBondContact CE-O 3.43Å; M216-V243 HydrophobicContact SD-CG1 4.25Å; M216-P244 HydrophobicContact CB-CG 4.43Å; M216-P244 HydrophobicContact CE-CG 4.16Å; M216-P244 VanDerWaalsContact SD-CD 3.56Å; M216-P244 HydrophobicContact SD-CG 4.43Å
217G91.3Very high94.7Very high68 Ų6827.9 Ų27.970%0.70116%0.162SC*.THydrogen-bonded Turntrans-84-3172.600000115.2E213 T214 M215E213-G217 PolarHBondContact O-N 3.43Å; T214-G217 PolarHBondContact O-N 2.87Å; M215-G217 PolarHBondContact O-N 3.37Å
218G93.4Very high94.7Very high15 Ų1529.7 Ų29.716%0.15518%0.177CC..SBendtrans-78167.6-178.300000114.6M215 G220M215-G218 PolarHBondContact O-N 2.89Å; G218-G220 VanDerWaalsContact C-N 3.26Å; G218-G220 PolarHBondContact O-N 3.35Å
219A94.9Very high94.7Very high38 Ų3828 Ų2831%0.31417%0.17SC..SBendtrans-76-12.5175.500000113.6P143 T144 Y145 P246P143-A219 HydrophobicContact CB-CB 3.89Å; T144-A219 WeakPolarHBondContact O-CB 3.05Å; T144-A219 PolarHBondContact O-N 3.29Å; Y145-A219 HydrophobicContact CD1-CB 4.38Å; Y145-A219 HydrophobicContact CD2-CB 4.29Å; Y145-A219 HydrophobicContact CE1-CB 4.08Å; Y145-A219 HydrophobicContact CE2-CB 3.99Å; Y145-A219 HydrophobicContact CG-CB 4.47Å; A219-P246 WeakPolarHBondContact O-CD 3.34Å; A219-P246 WeakPolarHBondContact O-CG 3.29Å
220G96Very high94.8Very high0 Ų026.5 Ų26.50%016%0.162CC..  trans168.4155.2-178.600000112.2Y145 F146 G218 P246Y145-G220 WeakPolarHBondContact CA-O 3.49Å; F146-G220 PolarHBondContact N-O 3.05Å; G218-G220 VanDerWaalsContact C-N 3.26Å; G218-G220 PolarHBondContact O-N 3.35Å; G220-P246 WeakPolarHBondContact CA-O 3.35Å
221I97.1Very high94.8Very high0 Ų027.3 Ų27.30%017%0.166CC..EExtended strand (participates in β ladder)trans-112.9119.3175.6-58.7168.6000108.5F146 L155 L159 M215 V223 P245 P246 L247 F248F146-I221 CarbonylContact O-C 3.58Å; F146-I221 WeakPolarHBondContact O-CA 3.04Å; L155-I221 HydrophobicContact CD1-CG2 4.42Å; L155-I221 HydrophobicContact CD2-CG2 3.94Å; L159-I221 HydrophobicContact CD1-CD1 4.06Å; L159-I221 HydrophobicContact CD2-CD1 4.25Å; M215-I221 HydrophobicContact CB-CD1 4.4Å; M215-I221 HydrophobicContact CE-CD1 3.88Å; M215-I221 HydrophobicContact CE-CG1 4.03Å; M215-I221 HydrophobicContact CE-CG2 3.76Å; I221-V223 HydrophobicContact CG2-CG2 3.87Å; I221-P245 HydrophobicContact CD1-CB 4.45Å; I221-P245 HydrophobicContact CD1-CG 3.47Å; I221-P245 VanDerWaalsContact CD1-CG 3.47Å; I221-P245 HydrophobicContact CG1-CB 4.19Å; I221-P245 HydrophobicContact CG1-CG 3.71Å; I221-P246 PolarHBondContact N-O 2.96Å; I221-L247 HydrophobicContact CB-CD1 4.15Å; I221-L247 HydrophobicContact CG2-CD1 4.18Å; I221-L247 CarbonylContact O-C 3.6Å; I221-L247 WeakPolarHBondContact O-CA 3.2Å; I221-F248 PolarHBondContact O-N 3.36Å
222I97.9Very high94.8Very high0 Ų031.2 Ų31.20%018%0.184CC..EExtended strand (participates in β ladder)trans-92.8131.3173.2-54.2165.9000107.3L22 V122 F146 Y147 Y148 F248 V250 L466 W470L22-I222 HydrophobicContact CD1-CG2 4.47Å; L22-I222 HydrophobicContact CD2-CG2 4.44Å; V122-I222 HydrophobicContact CG1-CD1 3.86Å; V122-I222 HydrophobicContact CG2-CD1 4.12Å; F146-I222 PolarHBondContact O-N 2.88Å; Y147-I222 CarbonylContact C-O 3.55Å; Y147-I222 WeakPolarHBondContact CA-O 3.31Å; Y147-I222 HydrophobicContact CD2-CB 3.9Å; Y147-I222 HydrophobicContact CD2-CG2 3.67Å; Y147-I222 WeakPolarHBondContact CD2-O 2.92Å; Y147-I222 HydrophobicContact CE2-CG2 4.02Å; Y148-I222 PolarHBondContact N-O 2.8Å; I222-F248 CarbonylContact C-O 3.57Å; I222-F248 WeakPolarHBondContact CA-O 3.45Å; I222-F248 HydrophobicContact CG1-CB 4.42Å; I222-V250 HydrophobicContact CG2-CB 4.46Å; I222-V250 HydrophobicContact CG2-CG1 4.19Å; I222-V250 HydrophobicContact CG2-CG2 3.42Å; I222-V250 VanDerWaalsContact CG2-CG2 3.42Å; I222-L466 HydrophobicContact CD1-CD1 4.39Å; I222-L466 HydrophobicContact CD1-CD2 3.54Å; I222-L466 HydrophobicContact CG1-CD1 4.43Å; I222-L466 HydrophobicContact CG1-CD2 3.86Å; I222-W470 HydrophobicContact CD1-CZ2 4.32Å
223V97.3Very high94.9Very high0 Ų031.2 Ų31.20%018%0.184CC..EExtended strand (participates in β ladder)trans-125.8135.7-177.7-169.50000110.1Y148 S150 L155 I221 T225 L247 F248 V250Y148-V223 HydrophobicContact CD1-CG1 4.34Å; S150-V223 WeakPolarHBondContact O-CG1 3.29Å; L155-V223 HydrophobicContact CD2-CG2 3.54Å; I221-V223 HydrophobicContact CG2-CG2 3.87Å; V223-T225 HydrophobicContact CB-CG2 4.06Å; V223-T225 HydrophobicContact CG1-CG2 3.59Å; V223-T225 PolarHBondContact O-N 3.48Å; V223-L247 HydrophobicContact CG2-CD1 3.45Å; V223-L247 VanDerWaalsContact CG2-CD1 3.45Å; V223-L247 HydrophobicContact CG2-CG 4.32Å; V223-F248 PolarHBondContact N-O 3.27Å; V223-V250 PolarHBondContact O-N 3.34Å
224N96.6Very high95Very high0 Ų026.1 Ų26.10%016%0.161CC..SBendtrans-8163.1175.2-1643.8000111.4Y147 Y148 G251 V253 W370 L374Y147-N224 HydrophobicContact CE2-CB 4.05Å; Y147-N224 WeakPolarHBondContact OH-CB 3.34Å; Y147-N224 PolarHBondContact OH-ND2 3.27Å; Y148-N224 PolarHBondContact O-N 3.39Å; N224-G251 WeakPolarHBondContact OD1-CA 3.03Å; N224-V253 PolarHBondContact ND2-O 3.21Å; N224-V253 WeakPolarHBondContact OD1-CA 3.46Å; N224-V253 WeakPolarHBondContact OD1-CB 3.2Å; N224-V253 PolarHBondContact OD1-N 2.88Å; N224-W370 PolarHBondContact O-NE1 3.3Å; N224-L374 HydrophobicContact CB-CD1 4.36Å; N224-L374 VanDerWaalsContact CG-CD1 3.49Å; N224-L374 WeakPolarHBondContact ND2-CD1 3.45Å; N224-L374 WeakPolarHBondContact O-CD1 3.4Å
225T97.1Very high95Very high0 Ų029.3 Ų29.30%017%0.17CC..  trans-144.6173.9177.8-166.10000110.6A152 V223 I229 E230 I234 C249 G251A152-T225 HydrophobicContact CB-CG2 4.01Å; V223-T225 HydrophobicContact CB-CG2 4.06Å; V223-T225 HydrophobicContact CG1-CG2 3.59Å; V223-T225 PolarHBondContact O-N 3.48Å; T225-I229 WeakPolarHBondContact OG1-CG2 3.38Å; T225-E230 WeakPolarHBondContact CB-OE2 3.1Å; T225-E230 PolarHBondContact OG1-OE2 3.15Å; T225-I234 HydrophobicContact CG2-CD1 3.93Å; T225-I234 HydrophobicContact CG2-CG1 4.26Å; T225-C249 HydrophobicContact CG2-CB 4.09Å; T225-C249 WeakPolarHBondContact O-CB 3.26Å; T225-G251 WeakPolarHBondContact O-CA 3.34Å; T225-G251 PolarHBondContact O-N 3.15Å
226F96.5Very high95Very high2 Ų230.1 Ų30.11%0.00918%0.176CC..  trans-142.3156.1177.563-79.6000110.7A228 I229 P252 V377 M445 A449 A452F226-A228 HydrophobicContact CD2-CB 4.02Å; F226-A228 HydrophobicContact CE2-CB 3.89Å; F226-A228 PolarHBondContact O-N 3.47Å; F226-I229 HydrophobicContact CD1-CB 4.21Å; F226-I229 HydrophobicContact CD1-CG2 3.84Å; F226-I229 HydrophobicContact CD2-CB 4.5Å; F226-I229 HydrophobicContact CE1-CB 3.76Å; F226-I229 HydrophobicContact CE1-CD1 4Å; F226-I229 HydrophobicContact CE1-CG1 4.38Å; F226-I229 HydrophobicContact CE1-CG2 3.83Å; F226-I229 HydrophobicContact CE2-CB 4.08Å; F226-I229 HydrophobicContact CG-CG2 4.28Å; F226-I229 HydrophobicContact CZ-CB 3.69Å; F226-I229 HydrophobicContact CZ-CD1 4.31Å; F226-I229 HydrophobicContact CZ-CG1 4.34Å; F226-I229 HydrophobicContact CZ-CG2 4.25Å; F226-I229 VanDerWaalsContact O-CG2 3.24Å; F226-I229 WeakPolarHBondContact O-CG2 3.42Å; F226-I229 PolarHBondContact O-N 3.12Å; F226-I229 VanDerWaalsContact O-N 3.15Å; F226-P252 HydrophobicContact CD1-CB 4.4Å; F226-P252 HydrophobicContact CD1-CG 4.29Å; F226-P252 HydrophobicContact CE1-CB 4.43Å; F226-P252 HydrophobicContact CE1-CG 4.31Å; F226-V377 HydrophobicContact CE1-CG1 4.31Å; F226-V377 HydrophobicContact CZ-CG1 3.97Å; F226-M445 HydrophobicContact CZ-CG 4.12Å; F226-A449 HydrophobicContact CE1-CB 4.14Å; F226-A449 HydrophobicContact CE2-CB 4.07Å; F226-A449 HydrophobicContact CZ-CB 3.7Å; F226-A452 HydrophobicContact CB-CB 3.88Å; F226-A452 HydrophobicContact CD2-CB 4.24Å; F226-A452 HydrophobicContact CG-CB 4.32Å
227E93.5Very high95.1Very high98 Ų9827.9 Ų27.946%0.45817%0.166SC..G310 helixtrans-52.1-47.8-169.1-171.2169.1-160.400114I229 E230 E231 T458E227-I229 PolarHBondContact O-N 3.31Å; E227-I229 VanDerWaalsContact O-N 3.13Å; E227-E230 PolarHBondContact O-N 2.86Å; E227-E231 HydrophobicContact CG-CG 4.44Å; E227-E231 WeakPolarHBondContact O-CA 3.39Å; E227-E231 WeakPolarHBondContact O-CB 3.32Å; E227-E231 PolarHBondContact O-N 3.48Å; E227-T458 WeakPolarHBondContact OE2-CG2 3.24Å
228A92.4Very high95.1Very high41 Ų4128.3 Ų28.334%0.33916%0.158SC..G310 helixtrans-66.8-17.3-174.300000115.1F226 M445F226-A228 HydrophobicContact CD2-CB 4.02Å; F226-A228 HydrophobicContact CE2-CB 3.89Å; F226-A228 PolarHBondContact O-N 3.47Å; A228-M445 HydrophobicContact CB-CE 4.44Å; A228-M445 WeakPolarHBondContact O-CE 3.38Å
229I94.5Very high94.9Very high5 Ų534.6 Ų34.63%0.02618%0.183CC..G310 helixtrans-90.9-27.3-179.3-155.5-179.9000113.2T225 F226 E227 W370 L374 V377 M403 M445T225-I229 WeakPolarHBondContact OG1-CG2 3.38Å; F226-I229 HydrophobicContact CD1-CB 4.21Å; F226-I229 HydrophobicContact CD1-CG2 3.84Å; F226-I229 HydrophobicContact CD2-CB 4.5Å; F226-I229 HydrophobicContact CE1-CB 3.76Å; F226-I229 HydrophobicContact CE1-CD1 4Å; F226-I229 HydrophobicContact CE1-CG1 4.38Å; F226-I229 HydrophobicContact CE1-CG2 3.83Å; F226-I229 HydrophobicContact CE2-CB 4.08Å; F226-I229 HydrophobicContact CG-CG2 4.28Å; F226-I229 HydrophobicContact CZ-CB 3.69Å; F226-I229 HydrophobicContact CZ-CD1 4.31Å; F226-I229 HydrophobicContact CZ-CG1 4.34Å; F226-I229 HydrophobicContact CZ-CG2 4.25Å; F226-I229 VanDerWaalsContact O-CG2 3.24Å; F226-I229 WeakPolarHBondContact O-CG2 3.42Å; F226-I229 PolarHBondContact O-N 3.12Å; F226-I229 VanDerWaalsContact O-N 3.15Å; E227-I229 PolarHBondContact O-N 3.31Å; E227-I229 VanDerWaalsContact O-N 3.13Å; I229-W370 HydrophobicContact CD1-CH2 4.28Å; I229-L374 HydrophobicContact CD1-CD2 4.25Å; I229-V377 HydrophobicContact CD1-CG1 4.3Å; I229-V377 HydrophobicContact CD1-CG2 3.95Å; I229-M403 HydrophobicContact CD1-CE 3.86Å; I229-M403 HydrophobicContact CD1-SD 4.16Å; I229-M403 HydrophobicContact CG1-CE 3.6Å; I229-M403 HydrophobicContact CG1-CG 4.19Å; I229-M403 HydrophobicContact CG1-SD 3.86Å; I229-M403 WeakPolarHBondContact O-CG 3.48Å; I229-M445 HydrophobicContact CB-SD 4.25Å; I229-M445 HydrophobicContact CG1-CG 4.36Å; I229-M445 HydrophobicContact CG1-SD 3.89Å
230E95.2Very high94.3Very high1 Ų134.7 Ų34.71%0.00518%0.179CC..SBendtrans-145.440.7-172.7-71177.8118.200111.4G151 A152 S153 T225 E227 E232 A233 I234 W370 M403G151-E230 WeakPolarHBondContact CA-OE1 3.01Å; G151-E230 VanDerWaalsContact CA-OE2 3.29Å; G151-E230 WeakPolarHBondContact CA-OE2 3.48Å; A152-E230 HydrophobicContact CB-CB 4.19Å; A152-E230 PolarHBondContact N-OE1 3.33Å; A152-E230 PolarHBondContact N-OE2 3.41Å; S153-E230 WeakPolarHBondContact CB-OE1 3.36Å; S153-E230 PolarHBondContact N-OE1 2.86Å; S153-E230 PolarHBondContact OG-OE1 2.78Å; T225-E230 WeakPolarHBondContact CB-OE2 3.1Å; T225-E230 PolarHBondContact OG1-OE2 3.15Å; E227-E230 PolarHBondContact O-N 2.86Å; E230-E232 VanDerWaalsContact C-N 3.31Å; E230-E232 PolarHBondContact O-N 2.92Å; E230-A233 HydrophobicContact CB-CB 4.45Å; E230-A233 PolarHBondContact O-N 2.99Å; E230-I234 HydrophobicContact CB-CD1 4.1Å; E230-I234 HydrophobicContact CB-CG1 4.28Å; E230-I234 WeakPolarHBondContact O-CB 3.44Å; E230-I234 WeakPolarHBondContact O-CD1 3.38Å; E230-I234 VanDerWaalsContact O-CG1 3.26Å; E230-I234 WeakPolarHBondContact O-CG1 3.31Å; E230-I234 PolarHBondContact O-N 3.15Å; E230-W370 HydrophobicContact CG-CH2 4.26Å; E230-W370 WeakPolarHBondContact OE2-CZ2 3.49Å; E230-M403 HydrophobicContact CG-CE 3.92Å
231E94.7Very high93.5Very high103 Ų10339.4 Ų39.448%0.48122%0.218SC..Hα-helixtrans-51.2-47.4-171.5-174.5-176.2163.100112.7E227 R235E227-E231 HydrophobicContact CG-CG 4.44Å; E227-E231 WeakPolarHBondContact O-CA 3.39Å; E227-E231 WeakPolarHBondContact O-CB 3.32Å; E227-E231 PolarHBondContact O-N 3.48Å; E231-R235 VanDerWaalsContact O-CB 3.29Å; E231-R235 WeakPolarHBondContact O-CB 3.34Å; E231-R235 PolarHBondContact O-N 2.85Å; E231-R235 IonicContact OE1-NH1 3.94Å
232E94.9Very high92.5Very high83 Ų8344 Ų4439%0.38825%0.246SC..Hα-helixtrans-66.7-45.3-176.6-64.7-66.5121.700111.8G184 E230 R235 A236G184-E232 WeakPolarHBondContact CA-O 3.49Å; G184-E232 WeakPolarHBondContact O-CB 3.4Å; E230-E232 VanDerWaalsContact C-N 3.31Å; E230-E232 PolarHBondContact O-N 2.92Å; E232-R235 IonicContact OE1-CZ 2.89Å; E232-R235 VanDerWaalsContact OE1-CZ 3.26Å; E232-R235 IonicContact OE1-NH1 3.91Å; E232-R235 PolarHBondContact OE1-NH1 3.19Å; E232-R235 IonicContact OE1-NH2 2.74Å; E232-R235 PolarHBondContact OE1-NH2 3.17Å; E232-R235 IonicContact OE2-CZ 2.65Å; E232-R235 IonicContact OE2-NH1 3.26Å; E232-R235 IonicContact OE2-NH2 3.89Å; E232-R235 PolarHBondContact OE2-NH2 3.02Å; E232-A236 WeakPolarHBondContact O-CB 3.26Å; E232-A236 PolarHBondContact O-N 3.06Å
233A95.3Very high91.2Very high0 Ų044.9 Ų44.90%025%0.251CS..Hα-helixtrans-66.8-42.2178.100000112A152 S153 L185 E230 A236 L237A152-A233 HydrophobicContact CB-CB 4.15Å; S153-A233 WeakPolarHBondContact OG-CB 3.33Å; L185-A233 HydrophobicContact CD2-CB 4.01Å; E230-A233 HydrophobicContact CB-CB 4.45Å; E230-A233 PolarHBondContact O-N 2.99Å; A233-A236 PolarHBondContact O-N 2.87Å; A233-L237 WeakPolarHBondContact O-CB 3.43Å; A233-L237 WeakPolarHBondContact O-CG 3.48Å; A233-L237 PolarHBondContact O-N 3.46Å
234I95.6Very high89.8Confident18 Ų1848.9 Ų48.99%0.09228%0.277CS..Hα-helixtrans-63-45.5177.6-68.5164.6000110.5A152 T225 E230 L237 S238A152-I234 HydrophobicContact CB-CG1 3.6Å; T225-I234 HydrophobicContact CG2-CD1 3.93Å; T225-I234 HydrophobicContact CG2-CG1 4.26Å; E230-I234 HydrophobicContact CB-CD1 4.1Å; E230-I234 HydrophobicContact CB-CG1 4.28Å; E230-I234 WeakPolarHBondContact O-CB 3.44Å; E230-I234 WeakPolarHBondContact O-CD1 3.38Å; E230-I234 VanDerWaalsContact O-CG1 3.26Å; E230-I234 WeakPolarHBondContact O-CG1 3.31Å; E230-I234 PolarHBondContact O-N 3.15Å; I234-L237 PolarHBondContact O-N 3.32Å; I234-S238 VanDerWaalsContact O-CB 3.3Å; I234-S238 WeakPolarHBondContact O-CB 3.47Å; I234-S238 PolarHBondContact O-N 3.47Å; I234-S238 PolarHBondContact O-OG 3.27Å
235R94.5Very high89.4Confident92 Ų9249.3 Ų49.335%0.34728%0.28SS..Hα-helixtrans-62.9-48.4178.7-172.3175.467.8-113.4-1.9111.2E231 E232 L237 S238 E239E231-R235 VanDerWaalsContact O-CB 3.29Å; E231-R235 WeakPolarHBondContact O-CB 3.34Å; E231-R235 PolarHBondContact O-N 2.85Å; E231-R235 IonicContact OE1-NH1 3.94Å; E232-R235 IonicContact OE1-CZ 2.89Å; E232-R235 VanDerWaalsContact OE1-CZ 3.26Å; E232-R235 IonicContact OE1-NH1 3.91Å; E232-R235 PolarHBondContact OE1-NH1 3.19Å; E232-R235 IonicContact OE1-NH2 2.74Å; E232-R235 PolarHBondContact OE1-NH2 3.17Å; E232-R235 IonicContact OE2-CZ 2.65Å; E232-R235 IonicContact OE2-NH1 3.26Å; E232-R235 IonicContact OE2-NH2 3.89Å; E232-R235 PolarHBondContact OE2-NH2 3.02Å; R235-L237 PolarHBondContact O-N 3.04Å; R235-S238 PolarHBondContact O-N 3.17Å; R235-S238 VanDerWaalsContact O-N 3.15Å; R235-E239 HydrophobicContact CG-CG 4.28Å; R235-E239 VanDerWaalsContact CG-OE1 3.26Å; R235-E239 WeakPolarHBondContact CG-OE1 3.46Å; R235-E239 WeakPolarHBondContact O-CB 3.49Å; R235-E239 WeakPolarHBondContact O-CG 3.23Å; R235-E239 PolarHBondContact O-N 3.44Å
236A93.9Very high89.3Confident17 Ų1752 Ų5214%0.1430%0.297CS..Hα-helixtrans-58-45.8178.300000112.4P183 E232 A233 S238 D240P183-A236 HydrophobicContact CB-CB 3.89Å; P183-A236 WeakPolarHBondContact O-CB 3.44Å; E232-A236 WeakPolarHBondContact O-CB 3.26Å; E232-A236 PolarHBondContact O-N 3.06Å; A233-A236 PolarHBondContact O-N 2.87Å; A236-S238 VanDerWaalsContact C-N 3.33Å; A236-S238 PolarHBondContact O-N 3.12Å; A236-D240 WeakPolarHBondContact O-CB 3.46Å; A236-D240 PolarHBondContact O-N 3.18Å
237L93.8Very high89.2Confident5 Ų553.4 Ų53.43%0.02631%0.305CS..Hα-helixtrans-65.5-34176.7-76.4175.7000113.4A152 L155 A156 L159 Y160 A233 I234 R235 V243 L247A152-L237 HydrophobicContact CB-CD1 4.26Å; A152-L237 WeakPolarHBondContact O-CD1 3.43Å; L155-L237 HydrophobicContact CB-CD1 4.38Å; L155-L237 HydrophobicContact CD2-CD1 3.98Å; L155-L237 HydrophobicContact CG-CD1 4.13Å; A156-L237 HydrophobicContact CB-CD1 4.15Å; A156-L237 HydrophobicContact CB-CD2 3.99Å; A156-L237 HydrophobicContact CB-CG 4.08Å; L159-L237 HydrophobicContact CD1-CD2 3.93Å; Y160-L237 HydrophobicContact CE2-CD2 4.38Å; A233-L237 WeakPolarHBondContact O-CB 3.43Å; A233-L237 WeakPolarHBondContact O-CG 3.48Å; A233-L237 PolarHBondContact O-N 3.46Å; I234-L237 PolarHBondContact O-N 3.32Å; R235-L237 PolarHBondContact O-N 3.04Å; L237-V243 HydrophobicContact CD2-CG2 4.31Å; L237-L247 HydrophobicContact CB-CD2 4.04Å; L237-L247 HydrophobicContact CD1-CD2 4.32Å
238S91.2Very high89.4Confident77 Ų7748.8 Ų48.854%0.53828%0.283SS..Hα-helixtrans-80.8-28.2-177-58.10000113.2I234 R235 A236I234-S238 VanDerWaalsContact O-CB 3.3Å; I234-S238 WeakPolarHBondContact O-CB 3.47Å; I234-S238 PolarHBondContact O-N 3.47Å; I234-S238 PolarHBondContact O-OG 3.27Å; R235-S238 PolarHBondContact O-N 3.17Å; R235-S238 VanDerWaalsContact O-N 3.15Å; A236-S238 VanDerWaalsContact C-N 3.33Å; A236-S238 PolarHBondContact O-N 3.12Å
239E89.3Confident89.6Confident146 Ų14647.7 Ų47.768%0.68227%0.273SS*.Hα-helixtrans-89.3-19.4-179.8-69.7177.9178.700113R235 A241R235-E239 HydrophobicContact CG-CG 4.28Å; R235-E239 VanDerWaalsContact CG-OE1 3.26Å; R235-E239 WeakPolarHBondContact CG-OE1 3.46Å; R235-E239 WeakPolarHBondContact O-CB 3.49Å; R235-E239 WeakPolarHBondContact O-CG 3.23Å; R235-E239 PolarHBondContact O-N 3.44Å; E239-A241 PolarHBondContact O-N 2.86Å
240D84.1Confident89.7Confident41 Ų4147.5 Ų47.522%0.21927%0.272CS..  trans-77.6106.5-180-165.8-21.1000111.9Y160 A236 T242 V243Y160-D240 WeakPolarHBondContact CE1-OD2 3.49Å; Y160-D240 VanDerWaalsContact CZ-OD2 3.31Å; Y160-D240 PolarHBondContact OH-OD2 3.37Å; A236-D240 WeakPolarHBondContact O-CB 3.46Å; A236-D240 PolarHBondContact O-N 3.18Å; D240-T242 PolarHBondContact O-N 3.44Å; D240-T242 WeakPolarHBondContact OD1-CA 3.36Å; D240-T242 VanDerWaalsContact OD1-CB 3.26Å; D240-T242 WeakPolarHBondContact OD1-CB 3.41Å; D240-T242 WeakPolarHBondContact OD1-CG2 3.05Å; D240-T242 PolarHBondContact OD1-N 3.44Å; D240-T242 PolarHBondContact OD1-OG1 3.34Å; D240-T242 PolarHBondContact OD2-OG1 3.28Å; D240-T242 VanDerWaalsContact OD2-OG1 3.11Å; D240-V243 HydrophobicContact CB-CG2 4.17Å; D240-V243 PolarHBondContact O-N 3.09Å
241A77.5Confident89.8Confident99 Ų9947.5 Ų47.582%0.81827%0.272SS*.THydrogen-bonded Turntrans-61.1-15.2176.200000114E239 V243E239-A241 PolarHBondContact O-N 2.86Å; A241-V243 VanDerWaalsContact C-N 3.3Å
242T76.1Confident89.9Confident96 Ų9643 Ų4359%0.58925%0.252SS*.THydrogen-bonded Turntrans-81.9-6.1175.372.10000113.5M216 D240 P244M216-T242 WeakPolarHBondContact CE-O 3.43Å; D240-T242 PolarHBondContact O-N 3.44Å; D240-T242 WeakPolarHBondContact OD1-CA 3.36Å; D240-T242 VanDerWaalsContact OD1-CB 3.26Å; D240-T242 WeakPolarHBondContact OD1-CB 3.41Å; D240-T242 WeakPolarHBondContact OD1-CG2 3.05Å; D240-T242 PolarHBondContact OD1-N 3.44Å; D240-T242 PolarHBondContact OD1-OG1 3.34Å; D240-T242 PolarHBondContact OD2-OG1 3.28Å; D240-T242 VanDerWaalsContact OD2-OG1 3.11Å; T242-P244 WeakPolarHBondContact O-CD 3.3Å
243V72Confident89.9Confident19 Ų1939.4 Ų39.412%0.11524%0.235CC..SBendtrans-102.384.8172.3-1780000108.8L159 M216 L237 D240 A241L159-V243 HydrophobicContact CD1-CG1 3.67Å; M216-V243 HydrophobicContact SD-CG1 4.25Å; L237-V243 HydrophobicContact CD2-CG2 4.31Å; D240-V243 HydrophobicContact CB-CG2 4.17Å; D240-V243 PolarHBondContact O-N 3.09Å; A241-V243 VanDerWaalsContact C-N 3.3Å
244P67.6Low89.7Confident84 Ų8442 Ų4255%0.54525%0.249SC..  trans-74.1-24.3-162.329-31.6000116.6M216 T242M216-P244 HydrophobicContact CB-CG 4.43Å; M216-P244 HydrophobicContact CE-CG 4.16Å; M216-P244 VanDerWaalsContact SD-CD 3.56Å; M216-P244 HydrophobicContact SD-CG 4.43Å; T242-P244 WeakPolarHBondContact O-CD 3.3Å
245P88.5Confident89.2Confident8 Ų841.8 Ų41.85%0.05225%0.248CC..SBendtrans-81138.5176.232.6-33.7000110.2I221 L247I221-P245 HydrophobicContact CD1-CB 4.45Å; I221-P245 HydrophobicContact CD1-CG 3.47Å; I221-P245 VanDerWaalsContact CD1-CG 3.47Å; I221-P245 HydrophobicContact CG1-CB 4.19Å; I221-P245 HydrophobicContact CG1-CG 3.71Å; P245-L247 PolarHBondContact O-N 2.96Å
246P93.5Very high88.5Confident57 Ų5740.2 Ų40.237%0.3726%0.256SS..PPolyproline II helixtrans-59.3136.7173.523.3-32.1000111.2A219 G220 I221 F248A219-P246 WeakPolarHBondContact O-CD 3.34Å; A219-P246 WeakPolarHBondContact O-CG 3.29Å; G220-P246 WeakPolarHBondContact CA-O 3.35Å; I221-P246 PolarHBondContact N-O 2.96Å; P246-F248 HydrophobicContact CB-CE2 3.87Å; P246-F248 HydrophobicContact CB-CZ 3.91Å; P246-F248 HydrophobicContact CG-CE2 3.76Å; P246-F248 HydrophobicContact CG-CZ 3.92Å; P246-F248 WeakPolarHBondContact O-CD2 3.47Å; P246-F248 WeakPolarHBondContact O-CE2 3.28Å
247L95.2Very high87.6Confident32 Ų3243.2 Ų43.217%0.16827%0.274CS..EExtended strand (participates in β ladder)trans-87.1135.5175.8-164.869.1000111L155 I221 V223 L237 P245L155-L247 HydrophobicContact CD2-CD1 3.69Å; I221-L247 HydrophobicContact CB-CD1 4.15Å; I221-L247 HydrophobicContact CG2-CD1 4.18Å; I221-L247 CarbonylContact O-C 3.6Å; I221-L247 WeakPolarHBondContact O-CA 3.2Å; V223-L247 HydrophobicContact CG2-CD1 3.45Å; V223-L247 VanDerWaalsContact CG2-CD1 3.45Å; V223-L247 HydrophobicContact CG2-CG 4.32Å; L237-L247 HydrophobicContact CB-CD2 4.04Å; L237-L247 HydrophobicContact CD1-CD2 4.32Å; P245-L247 PolarHBondContact O-N 2.96Å
248F96.8Very high86.5Confident1 Ų144.8 Ų44.80%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-127.692.4176.6-56.9-86.4000110.2Y145 I221 I222 V223 P246 V250 S462 K465 L466 L469Y145-F248 HydrophobicContact CD1-CE2 4.44Å; Y145-F248 HydrophobicContact CE1-CE2 4.06Å; I221-F248 PolarHBondContact O-N 3.36Å; I222-F248 CarbonylContact C-O 3.57Å; I222-F248 WeakPolarHBondContact CA-O 3.45Å; I222-F248 HydrophobicContact CG1-CB 4.42Å; V223-F248 PolarHBondContact N-O 3.27Å; P246-F248 HydrophobicContact CB-CE2 3.87Å; P246-F248 HydrophobicContact CB-CZ 3.91Å; P246-F248 HydrophobicContact CG-CE2 3.76Å; P246-F248 HydrophobicContact CG-CZ 3.92Å; P246-F248 WeakPolarHBondContact O-CD2 3.47Å; P246-F248 WeakPolarHBondContact O-CE2 3.28Å; F248-V250 HydrophobicContact CB-CG1 4.35Å; F248-V250 PolarHBondContact O-N 2.7Å; F248-S462 VanDerWaalsContact CA-OG 3.29Å; F248-S462 WeakPolarHBondContact CA-OG 3.33Å; F248-K465 HydrophobicContact CD1-CD 4.47Å; F248-K465 HydrophobicContact CE1-CB 4.44Å; F248-K465 HydrophobicContact CE1-CD 3.88Å; F248-K465 HydrophobicContact CE1-CG 4.01Å; F248-L466 HydrophobicContact CD1-CB 4.15Å; F248-L466 HydrophobicContact CD2-CD1 4.17Å; F248-L466 HydrophobicContact CE1-CB 4.37Å; F248-L466 HydrophobicContact CE1-CD1 4.49Å; F248-L466 HydrophobicContact CE2-CD1 4.15Å; F248-L466 HydrophobicContact CG-CD1 4.36Å; F248-L466 HydrophobicContact CZ-CD1 4.32Å; F248-L469 HydrophobicContact CE1-CD1 4.09Å; F248-L469 HydrophobicContact CZ-CD1 3.58Å
249C97.4Very high85.2Confident18 Ų1844.3 Ų44.312%0.12229%0.287CS..EExtended strand (participates in β ladder)trans-75.2115.5171.3-58.40000108.6T225 S462T225-C249 HydrophobicContact CG2-CB 4.09Å; T225-C249 WeakPolarHBondContact O-CB 3.26Å; C249-S462 PolarHBondContact N-OG 3.19Å; C249-S462 WeakPolarHBondContact O-CB 3.08Å; C249-S462 PolarHBondContact O-OG 2.98Å
250V97.5Very high84.5Confident1 Ų138.8 Ų38.81%0.00626%0.261CS..  trans-124.111.4-174.1-60.70000112.8L22 I222 V223 F248 V253 L463L22-V250 HydrophobicContact CD1-CG2 3.95Å; I222-V250 HydrophobicContact CG2-CB 4.46Å; I222-V250 HydrophobicContact CG2-CG1 4.19Å; I222-V250 HydrophobicContact CG2-CG2 3.42Å; I222-V250 VanDerWaalsContact CG2-CG2 3.42Å; V223-V250 PolarHBondContact O-N 3.34Å; F248-V250 HydrophobicContact CB-CG1 4.35Å; F248-V250 PolarHBondContact O-N 2.7Å; V250-V253 HydrophobicContact CG2-CG2 4.28Å; V250-V253 VanDerWaalsContact O-CG2 3.26Å; V250-V253 WeakPolarHBondContact O-CG2 3.05Å; V250-L463 HydrophobicContact CG1-CB 4.24Å
251G96.8Very high84.3Confident0 Ų043 Ų430%028%0.279CS..  trans-88.6177.8-175.700000114.3N224 T225 M453 S459N224-G251 WeakPolarHBondContact OD1-CA 3.03Å; T225-G251 WeakPolarHBondContact O-CA 3.34Å; T225-G251 PolarHBondContact O-N 3.15Å; G251-M453 VanDerWaalsContact O-SD 3.38Å; G251-S459 WeakPolarHBondContact O-CB 3.24Å; G251-S459 PolarHBondContact O-OG 3.27Å
252P96.4Very high84.7Confident10 Ų1040.2 Ų40.27%0.06525%0.25CS..  cis-75.6123.3-5.329.6-33.5000112.1F226 L374 C378 A449 M453F226-P252 HydrophobicContact CD1-CB 4.4Å; F226-P252 HydrophobicContact CD1-CG 4.29Å; F226-P252 HydrophobicContact CE1-CB 4.43Å; F226-P252 HydrophobicContact CE1-CG 4.31Å; P252-L374 HydrophobicContact CB-CD2 4.25Å; P252-C378 VanDerWaalsContact CB-SG 3.58Å; P252-C378 WeakPolarHBondContact CG-SG 3.38Å; P252-A449 HydrophobicContact CG-CB 3.88Å; P252-M453 HydrophobicContact CG-CG 4.35Å
253V94.3Very high85.4Confident7 Ų739.4 Ų39.44%0.04224%0.239CC..  trans-100.4100.5172-173.50000107.7E21 L25 N224 V250E21-V253 VanDerWaalsContact C-CG1 3.46Å; E21-V253 HydrophobicContact CB-CG1 3.51Å; L25-V253 HydrophobicContact CD2-CG2 3.76Å; N224-V253 PolarHBondContact ND2-O 3.21Å; N224-V253 WeakPolarHBondContact OD1-CA 3.46Å; N224-V253 WeakPolarHBondContact OD1-CB 3.2Å; N224-V253 PolarHBondContact OD1-N 2.88Å; V250-V253 HydrophobicContact CG2-CG2 4.28Å; V250-V253 VanDerWaalsContact O-CG2 3.26Å; V250-V253 WeakPolarHBondContact O-CG2 3.05Å
254I92.6Very high86.4Confident54 Ų5439.7 Ų39.728%0.27725%0.246SC..  trans-120.9155.4-177.858.7167.7000110.9L374 E375 C378I254-L374 HydrophobicContact CG2-CB 3.65Å; I254-E375 HydrophobicContact CB-CG 4.32Å; I254-E375 HydrophobicContact CG2-CG 4.21Å; I254-C378 HydrophobicContact CD1-CB 3.7Å
255S85.1Confident87.8Confident13 Ų1335.7 Ų35.79%0.09122%0.22CC..PPolyproline II helixtrans-73.1132175.8-174.80000110.3
256A78.9Confident88.1Confident60 Ų6038 Ų3850%0.49623%0.231SC..PPolyproline II helixtrans-62.4149.4161.400000109.7Y258A256-Y258 PolarHBondContact O-N 3.25Å
257P75.4Confident88.3Confident80 Ų8038.7 Ų38.752%0.51924%0.237SC..PPolyproline II helixtrans-53125.1165.9-24.934.5000109.8A353 A354P257-A353 HydrophobicContact CG-CB 4.19Å; P257-A354 HydrophobicContact CB-CB 4.21Å; P257-A354 HydrophobicContact CG-CB 4.36Å
258Y69.5Low88.4Confident38 Ų3838.8 Ų38.815%0.14924%0.236CC..  trans-115.7168.8169.159.8-84.5000108.6R13 Y60 A256 E260R13-Y258 PolarHBondContact NH2-OH 3.14Å; Y60-Y258 HydrophobicContact CD2-CD1 4.15Å; Y60-Y258 HydrophobicContact CD2-CD2 4.23Å; Y60-Y258 AromaticContact CD2-CE1 3.6Å; Y60-Y258 HydrophobicContact CD2-CE1 3.6Å; Y60-Y258 AromaticContact CD2-CE2 3.67Å; Y60-Y258 HydrophobicContact CD2-CE2 3.67Å; Y60-Y258 HydrophobicContact CD2-CG 4.42Å; Y60-Y258 AromaticContact CD2-CZ 3.28Å; Y60-Y258 VanDerWaalsContact CD2-OH 3.25Å; Y60-Y258 WeakPolarHBondContact CD2-OH 3.2Å; Y60-Y258 HydrophobicContact CE2-CD1 4.11Å; Y60-Y258 AromaticContact CE2-CE1 3.7Å; Y60-Y258 HydrophobicContact CE2-CE1 3.7Å; Y60-Y258 AromaticContact CE2-CZ 3.9Å; Y60-Y258 HydrophobicContact CG-CE2 4.44Å; A256-Y258 PolarHBondContact O-N 3.25Å; Y258-E260 HydrophobicContact CD1-CG 4.3Å; Y258-E260 HydrophobicContact CD2-CG 3.57Å; Y258-E260 HydrophobicContact CE1-CG 4.15Å; Y258-E260 HydrophobicContact CE2-CG 3.4Å; Y258-E260 HydrophobicContact CG-CG 4.05Å; Y258-E260 PolarHBondContact O-N 3.19Å
259G64.3Low88.4Confident67 Ų6738.8 Ų38.869%0.69124%0.235SC*.SBendtrans-6554.5-174.100000114.9
260E74.8Confident88.4Confident29 Ų2943.4 Ų43.414%0.13626%0.259CS..  trans-69.6152.4169-61-178.4110.100109.1R13 Y258 D262 W349 P351R13-E260 IonicContact CZ-OE1 3.13Å; R13-E260 IonicContact NH2-OE1 3.56Å; R13-E260 PolarHBondContact NH2-OE1 3.07Å; Y258-E260 HydrophobicContact CD1-CG 4.3Å; Y258-E260 HydrophobicContact CD2-CG 3.57Å; Y258-E260 HydrophobicContact CE1-CG 4.15Å; Y258-E260 HydrophobicContact CE2-CG 3.4Å; Y258-E260 HydrophobicContact CG-CG 4.05Å; Y258-E260 PolarHBondContact O-N 3.19Å; E260-D262 PolarHBondContact O-N 2.88Å; E260-D262 VanDerWaalsContact O-N 3.16Å; E260-W349 WeakPolarHBondContact OE1-CZ2 3.49Å; E260-W349 PolarHBondContact OE1-NE1 3.49Å; E260-P351 HydrophobicContact CB-CB 4.2Å
261E81Confident88.4Confident130 Ų13050.1 Ų50.161%0.60729%0.294SS*.  trans-67.5114.7178.6-166.2-175.6-17500110.3K263E261-K263 HydrophobicContact CG-CG 3.87Å; E261-K263 WeakPolarHBondContact OE2-CE 3.38Å
262D86.1Confident88.5Confident40 Ų4051.1 Ų51.121%0.21430%0.299CS..  trans-73.3-27-179.1177.453000113.3E260 G264 C265 L266 P351E260-D262 PolarHBondContact O-N 2.88Å; E260-D262 VanDerWaalsContact O-N 3.16Å; D262-G264 PolarHBondContact O-N 3.04Å; D262-G264 VanDerWaalsContact OD2-C 3.3Å; D262-G264 WeakPolarHBondContact OD2-CA 3.36Å; D262-G264 PolarHBondContact OD2-N 3.26Å; D262-C265 VanDerWaalsContact O-CB 3.3Å; D262-C265 WeakPolarHBondContact O-CB 3.38Å; D262-C265 PolarHBondContact O-N 3.47Å; D262-C265 PolarHBondContact O-SG 3.15Å; D262-C265 VanDerWaalsContact OD1-CB 3.31Å; D262-C265 WeakPolarHBondContact OD1-CB 3.43Å; D262-C265 PolarHBondContact OD1-N 3.38Å; D262-C265 PolarHBondContact OD2-N 3.12Å; D262-L266 WeakPolarHBondContact OD1-CG 3.3Å; D262-L266 PolarHBondContact OD1-N 2.77Å; D262-L266 PolarHBondContact OD2-N 2.84Å; D262-P351 HydrophobicContact CB-CG 4.31Å
263K89.9Confident88.5Confident80 Ų8053.9 Ų53.935%0.34832%0.317SS..THydrogen-bonded Turntrans50.725.7-174.1-55.3-172.7-177.2-171.40113.8E261 M344 V346 R347E261-K263 HydrophobicContact CG-CG 3.87Å; E261-K263 WeakPolarHBondContact OE2-CE 3.38Å; K263-M344 VanDerWaalsContact O-CE 3.26Å; K263-M344 WeakPolarHBondContact O-CE 3.41Å; K263-V346 HydrophobicContact CB-CG1 4.38Å; K263-R347 PolarHBondContact NZ-O 2.89Å
264G93.8Very high88.7Confident25 Ų2556.6 Ų56.626%0.25834%0.336SS..THydrogen-bonded Turntrans82.72.9-179.400000115.1D262 L266 S267 W268D262-G264 PolarHBondContact O-N 3.04Å; D262-G264 VanDerWaalsContact OD2-C 3.3Å; D262-G264 WeakPolarHBondContact OD2-CA 3.36Å; D262-G264 PolarHBondContact OD2-N 3.26Å; G264-L266 PolarHBondContact O-N 3.31Å; G264-S267 PolarHBondContact O-N 3.29Å; G264-S267 PolarHBondContact O-OG 3.46Å; G264-W268 PolarHBondContact O-N 3.29Å
265C96.1Very high89Confident0 Ų058.5 Ų58.50%034%0.344CS..Hα-helixtrans-52.6-51.8-178.8-67.40000112D262 S267 W268 L269 L308 I355D262-C265 VanDerWaalsContact O-CB 3.3Å; D262-C265 WeakPolarHBondContact O-CB 3.38Å; D262-C265 PolarHBondContact O-N 3.47Å; D262-C265 PolarHBondContact O-SG 3.15Å; D262-C265 VanDerWaalsContact OD1-CB 3.31Å; D262-C265 WeakPolarHBondContact OD1-CB 3.43Å; D262-C265 PolarHBondContact OD1-N 3.38Å; D262-C265 PolarHBondContact OD2-N 3.12Å; C265-S267 VanDerWaalsContact C-N 3.33Å; C265-S267 PolarHBondContact O-N 3.22Å; C265-W268 PolarHBondContact O-N 2.69Å; C265-L269 VanDerWaalsContact O-CG 3.3Å; C265-L269 WeakPolarHBondContact O-CG 3.41Å; C265-L269 PolarHBondContact O-N 2.9Å; C265-L308 HydrophobicContact CB-CD1 3.82Å; C265-I355 HydrophobicContact CB-CD1 3.92Å; C265-I355 HydrophobicContact CB-CG1 4.24Å
266L95.7Very high89.6Confident55 Ų5558.9 Ų58.929%0.28835%0.346SS..Hα-helixtrans-64.4-38.5-178.8-67.6174.1000112D262 G264 W268 L269 N270 A354D262-L266 WeakPolarHBondContact OD1-CG 3.3Å; D262-L266 PolarHBondContact OD1-N 2.77Å; D262-L266 PolarHBondContact OD2-N 2.84Å; G264-L266 PolarHBondContact O-N 3.31Å; L266-W268 VanDerWaalsContact C-N 3.32Å; L266-W268 PolarHBondContact O-N 3.1Å; L266-L269 HydrophobicContact CD2-CD1 4.35Å; L266-L269 PolarHBondContact O-N 3.19Å; L266-N270 PolarHBondContact O-N 2.87Å; L266-N270 PolarHBondContact O-ND2 3.35Å; L266-N270 VanDerWaalsContact O-ND2 3.13Å; L266-A354 HydrophobicContact CD1-CB 4.26Å; L266-A354 HydrophobicContact CD2-CB 4.2Å
267S96Very high90.5Very high72 Ų7256 Ų5650%0.50332%0.323SS..Hα-helixtrans-64.9-37177.271.50000112.6G264 C265G264-S267 PolarHBondContact O-N 3.29Å; G264-S267 PolarHBondContact O-OG 3.46Å; C265-S267 VanDerWaalsContact C-N 3.33Å; C265-S267 PolarHBondContact O-N 3.22Å
268W97.2Very high91.7Very high35 Ų3552.2 Ų52.213%0.13330%0.298CS..Hα-helixtrans-70.8-39.7175.3178.990.3000111.7G264 C265 L266 N270 L271 Q272 V277 F307 L308 M344G264-W268 PolarHBondContact O-N 3.29Å; C265-W268 PolarHBondContact O-N 2.69Å; L266-W268 VanDerWaalsContact C-N 3.32Å; L266-W268 PolarHBondContact O-N 3.1Å; W268-N270 VanDerWaalsContact C-N 3.35Å; W268-N270 PolarHBondContact O-N 2.74Å; W268-L271 PolarHBondContact O-N 2.83Å; W268-Q272 HydrophobicContact CD2-CG 4.31Å; W268-Q272 HydrophobicContact CE3-CG 4.04Å; W268-Q272 HydrophobicContact CH2-CG 3.93Å; W268-Q272 HydrophobicContact CZ2-CG 4.19Å; W268-Q272 HydrophobicContact CZ3-CG 3.85Å; W268-Q272 WeakPolarHBondContact O-CG 3.5Å; W268-Q272 PolarHBondContact O-NE2 2.98Å; W268-Q272 VanDerWaalsContact O-NE2 3.12Å; W268-V277 HydrophobicContact CH2-CG1 4.11Å; W268-V277 HydrophobicContact CH2-CG2 4.11Å; W268-V277 HydrophobicContact CZ3-CG1 3.8Å; W268-V277 HydrophobicContact CZ3-CG2 3.97Å; W268-F307 VanDerWaalsContact CH2-O 3.27Å; W268-F307 WeakPolarHBondContact CH2-O 3.39Å; W268-L308 HydrophobicContact CE3-CD1 4.39Å; W268-L308 HydrophobicContact CZ3-CB 4.18Å; W268-M344 HydrophobicContact CB-SD 3.48Å; W268-M344 WeakPolarHBondContact CB-SD 3.18Å; W268-M344 HydrophobicContact CD2-CB 3.74Å; W268-M344 HydrophobicContact CD2-CG 4.5Å; W268-M344 HydrophobicContact CD2-SD 4.01Å; W268-M344 HydrophobicContact CE3-CB 4.06Å; W268-M344 HydrophobicContact CE3-SD 4.35Å; W268-M344 HydrophobicContact CG-CB 4.13Å; W268-M344 HydrophobicContact CG-CG 4.46Å; W268-M344 HydrophobicContact CG-SD 3.62Å; W268-M344 HydrophobicContact CH2-CB 4.41Å; W268-M344 HydrophobicContact CZ2-CB 4.11Å; W268-M344 HydrophobicContact CZ3-CB 4.37Å
269L97.9Very high93Very high0 Ų050.5 Ų50.50%029%0.291CS..Hα-helixtrans-62.7-38.2177.3-74.4167.4000112.5C265 L266 L271 Q272 V277 L308 I355 H358 S360 V361C265-L269 VanDerWaalsContact O-CG 3.3Å; C265-L269 WeakPolarHBondContact O-CG 3.41Å; C265-L269 PolarHBondContact O-N 2.9Å; L266-L269 HydrophobicContact CD2-CD1 4.35Å; L266-L269 PolarHBondContact O-N 3.19Å; L269-L271 PolarHBondContact O-N 3.4Å; L269-Q272 WeakPolarHBondContact O-CB 3.3Å; L269-Q272 PolarHBondContact O-N 3.34Å; L269-V277 HydrophobicContact CD2-CB 4.14Å; L269-V277 HydrophobicContact CD2-CG1 3.93Å; L269-V277 HydrophobicContact CD2-CG2 4.03Å; L269-L308 HydrophobicContact CD1-CD1 4.03Å; L269-L308 HydrophobicContact CD2-CD1 4.28Å; L269-L308 HydrophobicContact CG-CD1 4.1Å; L269-I355 HydrophobicContact CD1-CB 4.29Å; L269-I355 HydrophobicContact CD1-CG1 4.06Å; L269-I355 HydrophobicContact CD1-CG2 3.88Å; L269-H358 VanDerWaalsContact C-CE1 3.43Å; L269-H358 HydrophobicContact CD1-CB 4.16Å; L269-H358 PolarHBondContact O-CE1 3.34Å; L269-S360 PolarHBondContact O-OG 3.11Å; L269-V361 HydrophobicContact CD2-CG2 4.09Å
270N97.3Very high94.7Very high116 Ų11647.3 Ų47.362%0.6226%0.258SS*.THydrogen-bonded Turntrans-56.7-22.1175.5-77.3-43000113.8L266 W268 H358L266-N270 PolarHBondContact O-N 2.87Å; L266-N270 PolarHBondContact O-ND2 3.35Å; L266-N270 VanDerWaalsContact O-ND2 3.13Å; W268-N270 VanDerWaalsContact C-N 3.35Å; W268-N270 PolarHBondContact O-N 2.74Å; N270-H358 PolarHBondContact OD1-NE2 3.13Å; N270-H358 VanDerWaalsContact OD1-NE2 3.16Å
271L97.3Very high95.7Very high141 Ų14146.4 Ų46.474%0.73826%0.255SS*.THydrogen-bonded Turntrans-91.3-6179.1-57.7176.1000113W268 L269W268-L271 PolarHBondContact O-N 2.83Å; L269-L271 PolarHBondContact O-N 3.4Å
272Q98.2Very high96.4Very high22 Ų2240.6 Ų40.610%0.10323%0.228CC..SBendtrans-96.7146-176.6-50.3-48.7-45.700111.1W268 L269 V277 R306 S360W268-Q272 HydrophobicContact CD2-CG 4.31Å; W268-Q272 HydrophobicContact CE3-CG 4.04Å; W268-Q272 HydrophobicContact CH2-CG 3.93Å; W268-Q272 HydrophobicContact CZ2-CG 4.19Å; W268-Q272 HydrophobicContact CZ3-CG 3.85Å; W268-Q272 WeakPolarHBondContact O-CG 3.5Å; W268-Q272 PolarHBondContact O-NE2 2.98Å; W268-Q272 VanDerWaalsContact O-NE2 3.12Å; L269-Q272 WeakPolarHBondContact O-CB 3.3Å; L269-Q272 PolarHBondContact O-N 3.34Å; Q272-V277 HydrophobicContact CB-CG2 3.58Å; Q272-V277 HydrophobicContact CG-CG2 3.66Å; Q272-R306 VanDerWaalsContact OE1-NE 3.12Å; Q272-S360 PolarHBondContact O-OG 3.48Å
273P98Very high96.6Very high68 Ų6839.2 Ų39.244%0.44222%0.224SC..PPolyproline II helixtrans-56.9152.7172.7-21.831.2000112.8Q275 S276 S360P273-Q275 PolarHBondContact O-N 2.9Å; P273-S276 WeakPolarHBondContact CD-OG 3.36Å; P273-S276 WeakPolarHBondContact O-CB 3.26Å; P273-S276 PolarHBondContact O-N 3.08Å; P273-S276 PolarHBondContact O-OG 3.35Å; P273-S360 WeakPolarHBondContact O-CA 3.11Å; P273-S360 WeakPolarHBondContact O-CB 3.24Å
274S98Very high96.3Very high64 Ų6436.5 Ų36.545%0.44822%0.215SC..THydrogen-bonded Turntrans-50.9136.7172.4-171.80000111.5S276 D359S274-S276 PolarHBondContact O-N 3.08Å; S274-S276 VanDerWaalsContact O-N 3.07Å; S274-D359 WeakPolarHBondContact CA-OD2 3.48Å; S274-D359 WeakPolarHBondContact CB-OD2 3.16Å; S274-D359 PolarHBondContact OG-OD1 3.49Å; S274-D359 PolarHBondContact OG-OD2 2.83Å
275Q97.8Very high95.9Very high94 Ų9437 Ų3744%0.43921%0.211SC..THydrogen-bonded Turntrans49.532.9177-56.2-177.51600115.3P273 D359 S360 G362 M430P273-Q275 PolarHBondContact O-N 2.9Å; Q275-D359 PolarHBondContact N-O 2.84Å; Q275-S360 CarbonylContact C-O 3.6Å; Q275-G362 WeakPolarHBondContact O-CA 3.39Å; Q275-M430 WeakPolarHBondContact O-CE 3.23Å
276S98.4Very high95.6Very high20 Ų2037.1 Ų37.114%0.1421%0.212CC..  trans-107.5-14-174.671.10000114.8P273 S274 R306 S360P273-S276 WeakPolarHBondContact CD-OG 3.36Å; P273-S276 WeakPolarHBondContact O-CB 3.26Å; P273-S276 PolarHBondContact O-N 3.08Å; P273-S276 PolarHBondContact O-OG 3.35Å; S274-S276 PolarHBondContact O-N 3.08Å; S274-S276 VanDerWaalsContact O-N 3.07Å; S276-R306 WeakPolarHBondContact O-CB 3.39Å; S276-S360 PolarHBondContact N-O 2.83Å
277V98.8Very high95.3Very high0 Ų037.4 Ų37.40%021%0.209CC..EExtended strand (participates in β ladder)trans-102.3133.7-175-179.10000110.9W268 L269 Q272 R306 L308 S360 V361 G362 G363W268-V277 HydrophobicContact CH2-CG1 4.11Å; W268-V277 HydrophobicContact CH2-CG2 4.11Å; W268-V277 HydrophobicContact CZ3-CG1 3.8Å; W268-V277 HydrophobicContact CZ3-CG2 3.97Å; L269-V277 HydrophobicContact CD2-CB 4.14Å; L269-V277 HydrophobicContact CD2-CG1 3.93Å; L269-V277 HydrophobicContact CD2-CG2 4.03Å; Q272-V277 HydrophobicContact CB-CG2 3.58Å; Q272-V277 HydrophobicContact CG-CG2 3.66Å; V277-R306 CarbonylContact C-O 3.58Å; V277-R306 WeakPolarHBondContact CA-O 3.35Å; V277-R306 HydrophobicContact CB-CB 4.5Å; V277-R306 HydrophobicContact CG2-CB 3.98Å; V277-L308 HydrophobicContact CG1-CB 4.14Å; V277-S360 WeakPolarHBondContact CB-O 3.18Å; V277-S360 PolarHBondContact N-O 2.79Å; V277-V361 CarbonylContact O-C 3.34Å; V277-V361 WeakPolarHBondContact O-CA 3.43Å; V277-G362 PolarHBondContact O-N 3.28Å; V277-G363 PolarHBondContact O-N 2.88Å
278V98.8Very high95.2Very high1 Ų134.6 Ų34.61%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-97.4120.6168.1-178.20000110L280 R306 F307 L308 G363 V365 V426 M430V278-L280 HydrophobicContact CG1-CD1 4.27Å; V278-R306 PolarHBondContact N-O 2.92Å; V278-F307 CarbonylContact O-C 3.53Å; V278-F307 VanDerWaalsContact O-CA 3.22Å; V278-F307 WeakPolarHBondContact O-CA 3.48Å; V278-L308 PolarHBondContact O-N 3.38Å; V278-G363 CarbonylContact C-O 3.58Å; V278-G363 WeakPolarHBondContact CA-O 3.48Å; V278-V365 HydrophobicContact CG1-CG2 3.77Å; V278-V426 HydrophobicContact CG2-CG1 4.13Å; V278-M430 HydrophobicContact CG2-CE 3.93Å; V278-M430 HydrophobicContact CG2-CG 3.56Å; V278-M430 HydrophobicContact CG2-SD 3.44Å; V278-M430 WeakPolarHBondContact CG2-SD 3.49Å
279L98.7Very high95Very high1 Ų134.8 Ų34.81%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-77.1136.6169.6173.762.6000109.5C281 L308 V310 Q352 I355 L356 G363 F364 V365L279-C281 HydrophobicContact CD1-CB 4.25Å; L279-C281 HydrophobicContact CD2-CB 4.44Å; L279-C281 HydrophobicContact CG-CB 4.27Å; L279-L308 CarbonylContact C-O 3.54Å; L279-L308 WeakPolarHBondContact CA-O 3.42Å; L279-L308 HydrophobicContact CD1-CB 4.5Å; L279-L308 HydrophobicContact CD1-CD2 3.84Å; L279-V310 HydrophobicContact CD1-CG2 4.46Å; L279-Q352 HydrophobicContact CD2-CG 4.23Å; L279-I355 HydrophobicContact CB-CG2 4.5Å; L279-I355 HydrophobicContact CD1-CG2 4.04Å; L279-I355 HydrophobicContact CD2-CG2 3.97Å; L279-I355 HydrophobicContact CG-CG2 4.39Å; L279-L356 HydrophobicContact CD2-CD2 3.81Å; L279-L356 HydrophobicContact CD2-CG 3.98Å; L279-G363 PolarHBondContact N-O 2.97Å; L279-F364 HydrophobicContact CB-CD2 3.99Å; L279-F364 HydrophobicContact CD2-CD2 3.77Å; L279-F364 HydrophobicContact CD2-CE2 3.8Å; L279-F364 HydrophobicContact CD2-CG 4.47Å; L279-F364 HydrophobicContact CD2-CZ 4.47Å; L279-F364 HydrophobicContact CG-CD2 3.75Å; L279-F364 HydrophobicContact CG-CE2 3.95Å; L279-F364 CarbonylContact O-C 3.59Å; L279-F364 WeakPolarHBondContact O-CA 3.17Å; L279-V365 PolarHBondContact O-N 3.04Å
280L98.6Very high94.7Very high0 Ų041 Ų410%022%0.218CC..EExtended strand (participates in β ladder)trans-118.8111165.5-6792.8000108.7V278 F282 I296 L300 F307 L308 W309 V310 V365V278-L280 HydrophobicContact CG1-CD1 4.27Å; L280-F282 HydrophobicContact CB-CE2 4.14Å; L280-F282 HydrophobicContact CD2-CZ 4.42Å; L280-I296 HydrophobicContact CD2-CG2 4.29Å; L280-L300 HydrophobicContact CD1-CD1 4.16Å; L280-L300 HydrophobicContact CD1-CD2 3.54Å; L280-L300 HydrophobicContact CD1-CG 4.49Å; L280-L300 HydrophobicContact CD2-CD1 4.24Å; L280-L300 HydrophobicContact CD2-CD2 3.85Å; L280-L300 HydrophobicContact CD2-CG 4.41Å; L280-L300 HydrophobicContact CG-CD2 4.34Å; L280-F307 HydrophobicContact CD1-CB 4.02Å; L280-L308 PolarHBondContact N-O 3.39Å; L280-W309 HydrophobicContact CB-CB 4.26Å; L280-W309 HydrophobicContact CB-CG 4.13Å; L280-V310 PolarHBondContact O-N 3.41Å; L280-V365 HydrophobicContact CB-CB 4.41Å; L280-V365 HydrophobicContact CD1-CG2 4.42Å; L280-V365 HydrophobicContact CD2-CB 3.97Å; L280-V365 HydrophobicContact CD2-CG1 4.29Å; L280-V365 HydrophobicContact CD2-CG2 3.9Å; L280-V365 HydrophobicContact CG-CB 3.76Å; L280-V365 HydrophobicContact CG-CG2 3.72Å
281C96.9Very high94.5Very high10 Ų1038.3 Ų38.37%0.06821%0.212CC..EExtended strand (participates in β ladder)trans-145.5127.6176.6-169.50000110.9L279 V310 Q352 F364 V365L279-C281 HydrophobicContact CD1-CB 4.25Å; L279-C281 HydrophobicContact CD2-CB 4.44Å; L279-C281 HydrophobicContact CG-CB 4.27Å; C281-V310 HydrophobicContact CB-CB 4.35Å; C281-V310 HydrophobicContact CB-CG2 4.14Å; C281-Q352 PolarHBondContact SG-OE1 3.24Å; C281-F364 HydrophobicContact CB-CE2 3.85Å; C281-F364 HydrophobicContact CB-CZ 4.39Å; C281-V365 PolarHBondContact N-O 2.79Å
282F95.6Very high94.5Very high8 Ų832.1 Ų32.14%0.03518%0.179CC..  trans-110.728.8-171-57.7-88.8000112.3L280 G286 F288 V365 H367 W386 L388L280-F282 HydrophobicContact CB-CE2 4.14Å; L280-F282 HydrophobicContact CD2-CZ 4.42Å; F282-G286 VanDerWaalsContact O-CA 3.23Å; F282-G286 WeakPolarHBondContact O-CA 3.09Å; F282-G286 PolarHBondContact O-N 3.23Å; F282-F288 HydrophobicContact CB-CE2 4.1Å; F282-F288 AromaticContact CD1-CE2 3.8Å; F282-F288 HydrophobicContact CD1-CE2 3.8Å; F282-F288 AromaticContact CD1-CZ 3.57Å; F282-F288 HydrophobicContact CD1-CZ 3.57Å; F282-F288 AromaticContact CD2-CE2 3.47Å; F282-F288 HydrophobicContact CD2-CE2 3.47Å; F282-F288 VanDerWaalsContact CD2-CE2 3.47Å; F282-F288 HydrophobicContact CD2-CZ 4.1Å; F282-F288 AromaticContact CE1-CE2 4Å; F282-F288 HydrophobicContact CE1-CE2 4Å; F282-F288 AromaticContact CE1-CZ 3.62Å; F282-F288 HydrophobicContact CE1-CZ 3.62Å; F282-F288 AromaticContact CE2-CE2 3.67Å; F282-F288 HydrophobicContact CE2-CE2 3.67Å; F282-F288 HydrophobicContact CE2-CZ 4.13Å; F282-F288 AromaticContact CG-CE2 3.51Å; F282-F288 HydrophobicContact CG-CE2 3.51Å; F282-F288 AromaticContact CG-CZ 3.8Å; F282-F288 HydrophobicContact CG-CZ 3.8Å; F282-F288 AromaticContact CZ-CE2 3.93Å; F282-F288 HydrophobicContact CZ-CE2 3.93Å; F282-F288 AromaticContact CZ-CZ 3.89Å; F282-F288 HydrophobicContact CZ-CZ 3.89Å; F282-V365 HydrophobicContact CE1-CG1 4.22Å; F282-V365 HydrophobicContact CZ-CG1 4.12Å; F282-H367 VanDerWaalsContact C-CG 3.45Å; F282-H367 HydrophobicContact CB-CB 4.16Å; F282-H367 HydrophobicContact CD1-CB 4.18Å; F282-H367 PolarHBondContact O-CD2 2.83Å; F282-W386 HydrophobicContact CE1-CB 4.28Å; F282-W386 HydrophobicContact CE1-CD2 4.03Å; F282-W386 AromaticContact CE1-CE3 3.9Å; F282-W386 HydrophobicContact CE1-CE3 3.9Å; F282-W386 HydrophobicContact CE1-CG 4.21Å; F282-W386 HydrophobicContact CZ-CE3 4Å; F282-W386 HydrophobicContact CZ-CZ3 4.3Å; F282-L388 HydrophobicContact CB-CD1 3.93Å; F282-L388 HydrophobicContact CD1-CD1 4.12Å; F282-L388 HydrophobicContact CG-CD1 4.38Å
283G89.5Confident94.4Very high12 Ų1231 Ų3112%0.12417%0.174CC..THydrogen-bonded Turntrans71.2-166.2177.100000113.8H367G283-H367 WeakPolarHBondContact CA-CE1 3.49Å; G283-H367 PolarHBondContact N-CE1 2.78Å; G283-H367 PolarHBondContact N-ND1 2.53Å
284S84.2Confident94.3Very high23 Ų2332.6 Ų32.616%0.16117%0.174CC..THydrogen-bonded Turntrans-79.3-19.4-17466.40000114.7
285M84.6Confident94.3Very high35 Ų3531.7 Ų31.717%0.17216%0.163CC..THydrogen-bonded Turntrans-117.8-13.8-176.7-58.3-173.87300113.9P90 H91 R287 Y389P90-M285 HydrophobicContact CB-CE 4Å; H91-M285 HydrophobicContact CB-CE 3.73Å; H91-M285 HydrophobicContact CB-SD 3.88Å; M285-R287 PolarHBondContact O-N 3.02Å; M285-R287 PolarHBondContact O-NH1 3.38Å; M285-Y389 HydrophobicContact CB-CE1 4.05Å
286G89.3Confident94.4Very high3 Ų327.2 Ų27.23%0.03114%0.142CC..  trans-60.9123.3177.400000110.8F282 R312F282-G286 VanDerWaalsContact O-CA 3.23Å; F282-G286 WeakPolarHBondContact O-CA 3.09Å; F282-G286 PolarHBondContact O-N 3.23Å; G286-R312 WeakPolarHBondContact O-CB 3.37Å
287R90.6Very high94.4Very high60 Ų6026.3 Ų26.323%0.22614%0.135CC..  trans-139151.1180-68.3179.3-178.491.2-4.3107.7M285 R312 T313 E314M285-R287 PolarHBondContact O-N 3.02Å; M285-R287 PolarHBondContact O-NH1 3.38Å; R287-R312 HydrophobicContact CG-CB 4.17Å; R287-T313 WeakPolarHBondContact CD-O 3.5Å; R287-E314 HydrophobicContact CB-CG 3.87Å
288F93.2Very high94.3Very high14 Ų1428.8 Ų28.86%0.06115%0.148CC..BIsolated β-bridgetrans-128.4147.7178.4-65.1-77.4000111.2F282 Q292 L293 I296 R312 E314 W386 L388F282-F288 HydrophobicContact CB-CE2 4.1Å; F282-F288 AromaticContact CD1-CE2 3.8Å; F282-F288 HydrophobicContact CD1-CE2 3.8Å; F282-F288 AromaticContact CD1-CZ 3.57Å; F282-F288 HydrophobicContact CD1-CZ 3.57Å; F282-F288 AromaticContact CD2-CE2 3.47Å; F282-F288 HydrophobicContact CD2-CE2 3.47Å; F282-F288 VanDerWaalsContact CD2-CE2 3.47Å; F282-F288 HydrophobicContact CD2-CZ 4.1Å; F282-F288 AromaticContact CE1-CE2 4Å; F282-F288 HydrophobicContact CE1-CE2 4Å; F282-F288 AromaticContact CE1-CZ 3.62Å; F282-F288 HydrophobicContact CE1-CZ 3.62Å; F282-F288 AromaticContact CE2-CE2 3.67Å; F282-F288 HydrophobicContact CE2-CE2 3.67Å; F282-F288 HydrophobicContact CE2-CZ 4.13Å; F282-F288 AromaticContact CG-CE2 3.51Å; F282-F288 HydrophobicContact CG-CE2 3.51Å; F282-F288 AromaticContact CG-CZ 3.8Å; F282-F288 HydrophobicContact CG-CZ 3.8Å; F282-F288 AromaticContact CZ-CE2 3.93Å; F282-F288 HydrophobicContact CZ-CE2 3.93Å; F282-F288 AromaticContact CZ-CZ 3.89Å; F282-F288 HydrophobicContact CZ-CZ 3.89Å; F288-Q292 HydrophobicContact CB-CB 4.17Å; F288-Q292 HydrophobicContact CB-CG 4.21Å; F288-Q292 HydrophobicContact CD1-CB 4.29Å; F288-Q292 HydrophobicContact CD1-CG 3.52Å; F288-Q292 HydrophobicContact CE1-CG 4.2Å; F288-Q292 HydrophobicContact CG-CG 4.14Å; F288-L293 HydrophobicContact CB-CD2 3.8Å; F288-L293 HydrophobicContact CB-CG 3.96Å; F288-L293 HydrophobicContact CD2-CD2 4.31Å; F288-L293 HydrophobicContact CG-CD2 4.46Å; F288-I296 HydrophobicContact CD1-CD1 4.41Å; F288-I296 HydrophobicContact CD2-CD1 4.05Å; F288-I296 HydrophobicContact CE2-CD1 4.19Å; F288-I296 HydrophobicContact CG-CD1 4.15Å; F288-I296 HydrophobicContact CZ-CD1 4.4Å; F288-R312 PolarHBondContact N-O 3.44Å; F288-E314 PolarHBondContact O-N 3.41Å; F288-W386 HydrophobicContact CE1-CZ2 4.05Å; F288-L388 HydrophobicContact CE1-CD1 4.32Å; F288-L388 HydrophobicContact CE1-CD2 3.56Å; F288-L388 HydrophobicContact CE2-CD1 4.4Å; F288-L388 HydrophobicContact CZ-CD1 3.86Å; F288-L388 HydrophobicContact CZ-CD2 3.77Å; F288-L388 HydrophobicContact CZ-CG 4.43Å
289S92.5Very high94.3Very high39 Ų3928.7 Ų28.727%0.27315%0.148SC..  trans-60.5155.7167.475.50000110.8A291 Q292 L293 E314S289-A291 PolarHBondContact O-N 2.83Å; S289-Q292 PolarHBondContact O-N 2.97Å; S289-Q292 VanDerWaalsContact O-N 3.09Å; S289-Q292 PolarHBondContact OG-N 3.47Å; S289-L293 WeakPolarHBondContact O-CG 3.4Å; S289-L293 PolarHBondContact O-N 2.94Å; S289-E314 WeakPolarHBondContact CA-OE2 3.46Å; S289-E314 WeakPolarHBondContact CB-OE2 3.39Å; S289-E314 PolarHBondContact N-OE2 3.39Å
290R92.4Very high94.3Very high131 Ų13128.8 Ų28.849%0.49415%0.148SC..Hα-helixtrans-57-36.5177-62.1-175-172.61774.2112.4L293 K294 L330R290-L293 PolarHBondContact O-N 2.85Å; R290-K294 WeakPolarHBondContact O-CG 3.41Å; R290-K294 PolarHBondContact O-N 3.02Å; R290-K294 VanDerWaalsContact O-N 3.13Å; R290-L330 HydrophobicContact CG-CD2 4.15Å
291A93.9Very high94.3Very high59 Ų5932.2 Ų32.249%0.48816%0.164SC..Hα-helixtrans-62.8-44.6177.200000111.4S289 K294 E295 F416S289-A291 PolarHBondContact O-N 2.83Å; A291-K294 PolarHBondContact O-N 2.99Å; A291-E295 PolarHBondContact O-N 3.46Å; A291-F416 HydrophobicContact CB-CE2 4.27Å
292Q96.5Very high94.2Very high10 Ų1036.7 Ų36.75%0.04718%0.182CC..Hα-helixtrans-69.9-36.7179.1-174.76176.200112.3F288 S289 K294 E295 I296 W386 F416 V417F288-Q292 HydrophobicContact CB-CB 4.17Å; F288-Q292 HydrophobicContact CB-CG 4.21Å; F288-Q292 HydrophobicContact CD1-CB 4.29Å; F288-Q292 HydrophobicContact CD1-CG 3.52Å; F288-Q292 HydrophobicContact CE1-CG 4.2Å; F288-Q292 HydrophobicContact CG-CG 4.14Å; S289-Q292 PolarHBondContact O-N 2.97Å; S289-Q292 VanDerWaalsContact O-N 3.09Å; S289-Q292 PolarHBondContact OG-N 3.47Å; Q292-K294 VanDerWaalsContact C-N 3.3Å; Q292-K294 PolarHBondContact O-N 2.97Å; Q292-E295 PolarHBondContact O-N 2.93Å; Q292-I296 HydrophobicContact CG-CD1 4.22Å; Q292-I296 VanDerWaalsContact O-CG1 3.31Å; Q292-I296 WeakPolarHBondContact O-CG1 3.43Å; Q292-I296 PolarHBondContact O-N 2.88Å; Q292-W386 HydrophobicContact CG-CZ2 4.37Å; Q292-F416 HydrophobicContact CB-CD2 4.46Å; Q292-F416 HydrophobicContact CB-CE2 4.18Å; Q292-F416 VanDerWaalsContact OE1-CD2 3.22Å; Q292-V417 PolarHBondContact NE2-O 2.93Å
293L96.6Very high94.3Very high0 Ų036.3 Ų36.30%018%0.181CC..Hα-helixtrans-59.4-40.3173.3-68.1176.8000111.9F288 S289 R290 I296 A297 W309 V311 L330F288-L293 HydrophobicContact CB-CD2 3.8Å; F288-L293 HydrophobicContact CB-CG 3.96Å; F288-L293 HydrophobicContact CD2-CD2 4.31Å; F288-L293 HydrophobicContact CG-CD2 4.46Å; S289-L293 WeakPolarHBondContact O-CG 3.4Å; S289-L293 PolarHBondContact O-N 2.94Å; R290-L293 PolarHBondContact O-N 2.85Å; L293-I296 PolarHBondContact O-N 2.96Å; L293-A297 PolarHBondContact O-N 3.43Å; L293-W309 HydrophobicContact CB-CH2 4.42Å; L293-W309 HydrophobicContact CD2-CH2 4.09Å; L293-W309 HydrophobicContact CD2-CZ2 3.58Å; L293-W309 WeakPolarHBondContact O-CH2 3.47Å; L293-V311 HydrophobicContact CD1-CG1 4.37Å; L293-V311 HydrophobicContact CD2-CG1 4.15Å; L293-L330 HydrophobicContact CD1-CD1 4.37Å; L293-L330 HydrophobicContact CD1-CD2 4.45Å
294K96.6Very high94.7Very high100 Ų10041.1 Ų41.144%0.43520%0.2SC..Hα-helixtrans-63-44.6175.4-72.5178.9-179.7-173.90112.2R290 A291 Q292 I296 A297 I298 P332R290-K294 WeakPolarHBondContact O-CG 3.41Å; R290-K294 PolarHBondContact O-N 3.02Å; R290-K294 VanDerWaalsContact O-N 3.13Å; A291-K294 PolarHBondContact O-N 2.99Å; Q292-K294 VanDerWaalsContact C-N 3.3Å; Q292-K294 PolarHBondContact O-N 2.97Å; K294-I296 VanDerWaalsContact C-N 3.33Å; K294-I296 PolarHBondContact O-N 2.9Å; K294-A297 PolarHBondContact O-N 2.76Å; K294-I298 VanDerWaalsContact O-CG1 3.28Å; K294-I298 WeakPolarHBondContact O-CG1 3.38Å; K294-I298 PolarHBondContact O-N 2.8Å; K294-P332 HydrophobicContact CB-CG 4.48Å; K294-P332 HydrophobicContact CG-CG 4.46Å
295E98Very high95.4Very high46 Ų4641.1 Ų41.122%0.21520%0.198CC..Hα-helixtrans-65.2-36.3175.7-74.1-58117.200112.6A291 Q292 I298 G299 F416 S419A291-E295 PolarHBondContact O-N 3.46Å; Q292-E295 PolarHBondContact O-N 2.93Å; E295-I298 PolarHBondContact O-N 3.37Å; E295-G299 PolarHBondContact O-N 2.72Å; E295-F416 HydrophobicContact CB-CZ 4.22Å; E295-F416 HydrophobicContact CG-CE1 3.68Å; E295-F416 HydrophobicContact CG-CE2 4.49Å; E295-F416 HydrophobicContact CG-CZ 3.39Å; E295-S419 WeakPolarHBondContact O-CA 3.26Å; E295-S419 VanDerWaalsContact O-CB 3.27Å; E295-S419 WeakPolarHBondContact O-CB 3.48Å; E295-S419 WeakPolarHBondContact OE2-CA 3.49Å; E295-S419 WeakPolarHBondContact OE2-CB 3.21Å; E295-S419 PolarHBondContact OE2-N 2.87Å; E295-S419 PolarHBondContact OE2-OG 3.24Å
296I98.4Very high96.1Very high0 Ų043.2 Ų43.20%020%0.204CC..Hα-helixtrans-59.9-50.6173.8-68.7162.9000109.9L280 F288 Q292 L293 K294 I298 G299 L300 W309 W386 L422L280-I296 HydrophobicContact CD2-CG2 4.29Å; F288-I296 HydrophobicContact CD1-CD1 4.41Å; F288-I296 HydrophobicContact CD2-CD1 4.05Å; F288-I296 HydrophobicContact CE2-CD1 4.19Å; F288-I296 HydrophobicContact CG-CD1 4.15Å; F288-I296 HydrophobicContact CZ-CD1 4.4Å; Q292-I296 HydrophobicContact CG-CD1 4.22Å; Q292-I296 VanDerWaalsContact O-CG1 3.31Å; Q292-I296 WeakPolarHBondContact O-CG1 3.43Å; Q292-I296 PolarHBondContact O-N 2.88Å; L293-I296 PolarHBondContact O-N 2.96Å; K294-I296 VanDerWaalsContact C-N 3.33Å; K294-I296 PolarHBondContact O-N 2.9Å; I296-I298 PolarHBondContact O-N 2.89Å; I296-G299 PolarHBondContact O-N 3.06Å; I296-G299 VanDerWaalsContact O-N 3.17Å; I296-L300 HydrophobicContact CG2-CD1 3.91Å; I296-L300 HydrophobicContact CG2-CG 4.28Å; I296-L300 WeakPolarHBondContact O-CG 3.17Å; I296-L300 PolarHBondContact O-N 3.46Å; I296-W309 HydrophobicContact CB-CH2 3.81Å; I296-W309 HydrophobicContact CB-CZ2 3.79Å; I296-W309 HydrophobicContact CD1-CZ2 4.04Å; I296-W309 HydrophobicContact CG2-CD2 4.07Å; I296-W309 HydrophobicContact CG2-CE3 4.21Å; I296-W309 HydrophobicContact CG2-CH2 3.54Å; I296-W309 HydrophobicContact CG2-CZ2 3.34Å; I296-W309 HydrophobicContact CG2-CZ3 3.96Å; I296-W386 HydrophobicContact CD1-CH2 3.93Å; I296-W386 HydrophobicContact CD1-CZ3 4.36Å; I296-W386 HydrophobicContact CG1-CH2 3.59Å; I296-W386 HydrophobicContact CG1-CZ3 3.98Å; I296-L422 HydrophobicContact CB-CD2 4.08Å; I296-L422 HydrophobicContact CG1-CD2 4.07Å; I296-L422 HydrophobicContact CG2-CD2 3.85Å
297A98.3Very high96.5Very high0 Ų043.3 Ų43.30%020%0.203CC..Hα-helixtrans-57.1-48.6178.900000112.1L293 K294 G299 L300 E301 W309 L331 P332 F335L293-A297 PolarHBondContact O-N 3.43Å; K294-A297 PolarHBondContact O-N 2.76Å; A297-G299 VanDerWaalsContact C-N 3.32Å; A297-G299 PolarHBondContact O-N 2.94Å; A297-L300 PolarHBondContact O-N 2.55Å; A297-E301 PolarHBondContact O-N 2.98Å; A297-W309 HydrophobicContact CB-CH2 4.49Å; A297-W309 HydrophobicContact CB-CZ3 4.07Å; A297-L331 HydrophobicContact CB-CD2 4.31Å; A297-P332 VanDerWaalsContact CB-CD 3.44Å; A297-P332 HydrophobicContact CB-CG 3.88Å; A297-F335 HydrophobicContact CB-CD1 4.3Å; A297-F335 HydrophobicContact CB-CD2 3.9Å; A297-F335 HydrophobicContact CB-CE1 4.15Å; A297-F335 HydrophobicContact CB-CE2 3.74Å; A297-F335 HydrophobicContact CB-CG 4.16Å; A297-F335 HydrophobicContact CB-CZ 3.87Å; A297-F335 WeakPolarHBondContact O-CE2 3.2Å
298I98.3Very high96.9Very high52 Ų5240.4 Ų40.427%0.26719%0.192SC..Hα-helixtrans-62.7-40.2178-63.8164.9000110.9K294 E295 I296 E301 K302 P332K294-I298 VanDerWaalsContact O-CG1 3.28Å; K294-I298 WeakPolarHBondContact O-CG1 3.38Å; K294-I298 PolarHBondContact O-N 2.8Å; E295-I298 PolarHBondContact O-N 3.37Å; I296-I298 PolarHBondContact O-N 2.89Å; I298-E301 PolarHBondContact O-N 2.95Å; I298-K302 HydrophobicContact CG2-CD 3.97Å; I298-K302 HydrophobicContact CG2-CG 4.39Å; I298-K302 WeakPolarHBondContact O-CB 3.45Å; I298-K302 VanDerWaalsContact O-CG 3.27Å; I298-K302 WeakPolarHBondContact O-CG 3.41Å; I298-K302 PolarHBondContact O-N 3.44Å; I298-P332 HydrophobicContact CG1-CG 4.11Å
299G98.5Very high97.1Very high0 Ų039.8 Ų39.80%019%0.189CC..Hα-helixtrans-66-40.8178.700000112.9E295 I296 A297 K302 S303 S419 G423E295-G299 PolarHBondContact O-N 2.72Å; I296-G299 PolarHBondContact O-N 3.06Å; I296-G299 VanDerWaalsContact O-N 3.17Å; A297-G299 VanDerWaalsContact C-N 3.32Å; A297-G299 PolarHBondContact O-N 2.94Å; G299-K302 PolarHBondContact O-N 2.76Å; G299-S303 WeakPolarHBondContact O-CB 3.39Å; G299-S303 PolarHBondContact O-N 2.84Å; G299-S419 WeakPolarHBondContact CA-O 3.34Å; G299-G423 VanDerWaalsContact O-CA 3.3Å; G299-G423 WeakPolarHBondContact O-CA 3.37Å
300L98.5Very high97.3Very high2 Ų238.4 Ų38.41%0.0118%0.179CC..Hα-helixtrans-63.6-46.7174.7-69.1175.1000111.7L280 I296 A297 K302 S303 F307 W309L280-L300 HydrophobicContact CD1-CD1 4.16Å; L280-L300 HydrophobicContact CD1-CD2 3.54Å; L280-L300 HydrophobicContact CD1-CG 4.49Å; L280-L300 HydrophobicContact CD2-CD1 4.24Å; L280-L300 HydrophobicContact CD2-CD2 3.85Å; L280-L300 HydrophobicContact CD2-CG 4.41Å; L280-L300 HydrophobicContact CG-CD2 4.34Å; I296-L300 HydrophobicContact CG2-CD1 3.91Å; I296-L300 HydrophobicContact CG2-CG 4.28Å; I296-L300 WeakPolarHBondContact O-CG 3.17Å; I296-L300 PolarHBondContact O-N 3.46Å; A297-L300 PolarHBondContact O-N 2.55Å; L300-K302 PolarHBondContact O-N 3.32Å; L300-S303 WeakPolarHBondContact O-CB 3.41Å; L300-S303 PolarHBondContact O-N 3.47Å; L300-S303 VanDerWaalsContact O-N 3.14Å; L300-S303 PolarHBondContact O-OG 3.33Å; L300-F307 HydrophobicContact CB-CD1 3.99Å; L300-F307 HydrophobicContact CB-CE1 3.98Å; L300-F307 HydrophobicContact CB-CG 4.38Å; L300-F307 HydrophobicContact CB-CZ 4.37Å; L300-F307 HydrophobicContact CD1-CD2 3.87Å; L300-F307 HydrophobicContact CD1-CE2 4.09Å; L300-F307 HydrophobicContact CD1-CG 4.1Å; L300-F307 HydrophobicContact CD1-CZ 4.49Å; L300-F307 HydrophobicContact CD2-CB 4.18Å; L300-F307 HydrophobicContact CD2-CD1 4.48Å; L300-F307 HydrophobicContact CD2-CG 4.26Å; L300-F307 HydrophobicContact CG-CG 4.49Å; L300-W309 HydrophobicContact CD1-CB 4.4Å; L300-W309 HydrophobicContact CD1-CD2 4.09Å; L300-W309 HydrophobicContact CD1-CE3 3.77Å; L300-W309 HydrophobicContact CD1-CG 4.39Å; L300-W309 HydrophobicContact CD1-CZ3 4.4Å
301E97.3Very high97.4Very high73 Ų7332.2 Ų32.234%0.34116%0.156SC..Hα-helixtrans-58.6-46.6176-170.2170.5175.400110.9A297 I298 S303 E304 F335 R338 T339A297-E301 PolarHBondContact O-N 2.98Å; I298-E301 PolarHBondContact O-N 2.95Å; E301-S303 VanDerWaalsContact C-N 3.28Å; E301-S303 PolarHBondContact O-N 3.22Å; E301-E304 PolarHBondContact O-N 3.23Å; E301-F335 HydrophobicContact CB-CE2 4.29Å; E301-R338 IonicContact OE1-CZ 2.64Å; E301-R338 IonicContact OE1-NE 3.06Å; E301-R338 PolarHBondContact OE1-NE 2.99Å; E301-R338 IonicContact OE1-NH2 3.76Å; E301-R338 IonicContact OE2-CZ 3.71Å; E301-R338 IonicContact OE2-NE 3.8Å; E301-R338 IonicContact OE2-NH2 3.74Å; E301-R338 PolarHBondContact OE2-NH2 2.87Å; E301-T339 HydrophobicContact CG-CG2 4.41Å
302K96.5Very high97.2Very high104 Ų10431.5 Ų31.545%0.45214%0.14SC..Hα-helixtrans-65.4-24.3176.4-75.7175.5179.3172.60114.2I298 G299 L300 E304 S419 R427I298-K302 HydrophobicContact CG2-CD 3.97Å; I298-K302 HydrophobicContact CG2-CG 4.39Å; I298-K302 WeakPolarHBondContact O-CB 3.45Å; I298-K302 VanDerWaalsContact O-CG 3.27Å; I298-K302 WeakPolarHBondContact O-CG 3.41Å; I298-K302 PolarHBondContact O-N 3.44Å; G299-K302 PolarHBondContact O-N 2.76Å; L300-K302 PolarHBondContact O-N 3.32Å; K302-E304 PolarHBondContact O-N 3.17Å; K302-S419 PolarHBondContact NZ-OG 3.34Å; K302-S419 VanDerWaalsContact NZ-OG 3.13Å; K302-R427 PolarHBondContact O-NH2 2.77Å
303S97.6Very high96.6Very high0 Ų032.4 Ų32.40%015%0.147CC..Hα-helixtrans-72-21.6179.878.80000112.9G299 L300 E301 Q305G299-S303 WeakPolarHBondContact O-CB 3.39Å; G299-S303 PolarHBondContact O-N 2.84Å; L300-S303 WeakPolarHBondContact O-CB 3.41Å; L300-S303 PolarHBondContact O-N 3.47Å; L300-S303 VanDerWaalsContact O-N 3.14Å; L300-S303 PolarHBondContact O-OG 3.33Å; E301-S303 VanDerWaalsContact C-N 3.28Å; E301-S303 PolarHBondContact O-N 3.22Å; S303-Q305 PolarHBondContact O-N 3.33Å; S303-Q305 PolarHBondContact O-NE2 3.31Å; S303-Q305 VanDerWaalsContact O-NE2 3.11Å; S303-Q305 PolarHBondContact OG-N 3.45Å
304E97Very high95.8Very high113 Ų11337.3 Ų37.353%0.52817%0.17SC..  trans59.62.3-174.6-58.6172.6124.100115.5E301 K302 K342 R427E301-E304 PolarHBondContact O-N 3.23Å; K302-E304 PolarHBondContact O-N 3.17Å; E304-K342 PolarHBondContact O-NZ 3.23Å; E304-K342 VanDerWaalsContact O-NZ 3.09Å; E304-R427 IonicContact OE2-CZ 2.69Å; E304-R427 IonicContact OE2-NH1 3.8Å; E304-R427 PolarHBondContact OE2-NH1 3.49Å; E304-R427 IonicContact OE2-NH2 3.42Å; E304-R427 PolarHBondContact OE2-NH2 3.49Å
305Q98.4Very high94.4Very high23 Ų2338.2 Ų38.211%0.10718%0.179CC..  trans-76.5158.7176.7-56.3-49.4-57.700111.3S303 V426 M430 E431S303-Q305 PolarHBondContact O-N 3.33Å; S303-Q305 PolarHBondContact O-NE2 3.31Å; S303-Q305 VanDerWaalsContact O-NE2 3.11Å; S303-Q305 PolarHBondContact OG-N 3.45Å; Q305-V426 HydrophobicContact CB-CG1 4Å; Q305-V426 HydrophobicContact CG-CG1 3.71Å; Q305-M430 HydrophobicContact CG-CB 4.27Å; Q305-M430 HydrophobicContact CG-CG 4.12Å; Q305-E431 VanDerWaalsContact NE2-CD 3.35Å; Q305-E431 PolarHBondContact NE2-OE1 3.11Å
306R98.7Very high92.2Very high79 Ų7937.9 Ų37.930%0.29819%0.187SC..EExtended strand (participates in β ladder)trans-77.6144.1168.1-64.6170.8169.4753.5109.6Q272 S276 V277 V278 K342Q272-R306 VanDerWaalsContact OE1-NE 3.12Å; S276-R306 WeakPolarHBondContact O-CB 3.39Å; V277-R306 CarbonylContact C-O 3.58Å; V277-R306 WeakPolarHBondContact CA-O 3.35Å; V277-R306 HydrophobicContact CB-CB 4.5Å; V277-R306 HydrophobicContact CG2-CB 3.98Å; V278-R306 PolarHBondContact N-O 2.92Å; R306-K342 CarbonylContact C-O 3.48Å; R306-K342 WeakPolarHBondContact CA-O 3.2Å; R306-K342 VanDerWaalsContact CB-O 3.31Å; R306-K342 WeakPolarHBondContact CB-O 3.38Å; R306-K342 HydrophobicContact CG-CB 4.06Å; R306-K342 HydrophobicContact CG-CG 4.23Å
307F98.8Very high89.7Confident4 Ų440.8 Ų40.82%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-142.8149.4-177.763.4-94.3000113.2W268 V278 L280 L300 W309 F335 T339 K342 G343 M344 V345W268-F307 VanDerWaalsContact CH2-O 3.27Å; W268-F307 WeakPolarHBondContact CH2-O 3.39Å; V278-F307 CarbonylContact O-C 3.53Å; V278-F307 VanDerWaalsContact O-CA 3.22Å; V278-F307 WeakPolarHBondContact O-CA 3.48Å; L280-F307 HydrophobicContact CD1-CB 4.02Å; L300-F307 HydrophobicContact CB-CD1 3.99Å; L300-F307 HydrophobicContact CB-CE1 3.98Å; L300-F307 HydrophobicContact CB-CG 4.38Å; L300-F307 HydrophobicContact CB-CZ 4.37Å; L300-F307 HydrophobicContact CD1-CD2 3.87Å; L300-F307 HydrophobicContact CD1-CE2 4.09Å; L300-F307 HydrophobicContact CD1-CG 4.1Å; L300-F307 HydrophobicContact CD1-CZ 4.49Å; L300-F307 HydrophobicContact CD2-CB 4.18Å; L300-F307 HydrophobicContact CD2-CD1 4.48Å; L300-F307 HydrophobicContact CD2-CG 4.26Å; L300-F307 HydrophobicContact CG-CG 4.49Å; F307-W309 HydrophobicContact CD2-CB 4.2Å; F307-F335 HydrophobicContact CE2-CE1 4.48Å; F307-F335 HydrophobicContact CE2-CZ 4.04Å; F307-F335 HydrophobicContact CZ-CE1 4.29Å; F307-F335 HydrophobicContact CZ-CE2 4.29Å; F307-F335 AromaticContact CZ-CZ 3.57Å; F307-F335 HydrophobicContact CZ-CZ 3.57Å; F307-T339 HydrophobicContact CE1-CG2 4.21Å; F307-T339 HydrophobicContact CZ-CG2 4.08Å; F307-K342 PolarHBondContact N-O 3.01Å; F307-G343 WeakPolarHBondContact O-CA 3.45Å; F307-M344 PolarHBondContact O-N 3.25Å; F307-V345 HydrophobicContact CE2-CG2 4.14Å
308L98.6Very high87Confident0 Ų046.4 Ų46.40%026%0.264CS..EExtended strand (participates in β ladder)trans-121.2116.4164.8-168.9164.5000107.2C265 W268 L269 V277 V278 L279 L280 V310 M344 V346 I355C265-L308 HydrophobicContact CB-CD1 3.82Å; W268-L308 HydrophobicContact CE3-CD1 4.39Å; W268-L308 HydrophobicContact CZ3-CB 4.18Å; L269-L308 HydrophobicContact CD1-CD1 4.03Å; L269-L308 HydrophobicContact CD2-CD1 4.28Å; L269-L308 HydrophobicContact CG-CD1 4.1Å; V277-L308 HydrophobicContact CG1-CB 4.14Å; V278-L308 PolarHBondContact O-N 3.38Å; L279-L308 CarbonylContact C-O 3.54Å; L279-L308 WeakPolarHBondContact CA-O 3.42Å; L279-L308 HydrophobicContact CD1-CB 4.5Å; L279-L308 HydrophobicContact CD1-CD2 3.84Å; L280-L308 PolarHBondContact N-O 3.39Å; L308-V310 HydrophobicContact CD2-CG2 4.23Å; L308-M344 CarbonylContact C-O 3.58Å; L308-M344 WeakPolarHBondContact CA-O 3.44Å; L308-M344 HydrophobicContact CG-CB 4.48Å; L308-V346 HydrophobicContact CD2-CG2 4.19Å; L308-I355 HydrophobicContact CD1-CD1 4.1Å; L308-I355 HydrophobicContact CD1-CG1 4.49Å; L308-I355 HydrophobicContact CD1-CG2 4.39Å; L308-I355 HydrophobicContact CD2-CD1 4.19Å
309W98.1Very high84.4Confident1 Ų151.3 Ų51.30%0.00429%0.291CS..EExtended strand (participates in β ladder)trans-117.7119.3-174-179.720.4000112.2L280 L293 I296 A297 L300 F307 V311 L331 F335 M344 V345 V346L280-W309 HydrophobicContact CB-CB 4.26Å; L280-W309 HydrophobicContact CB-CG 4.13Å; L293-W309 HydrophobicContact CB-CH2 4.42Å; L293-W309 HydrophobicContact CD2-CH2 4.09Å; L293-W309 HydrophobicContact CD2-CZ2 3.58Å; L293-W309 WeakPolarHBondContact O-CH2 3.47Å; I296-W309 HydrophobicContact CB-CH2 3.81Å; I296-W309 HydrophobicContact CB-CZ2 3.79Å; I296-W309 HydrophobicContact CD1-CZ2 4.04Å; I296-W309 HydrophobicContact CG2-CD2 4.07Å; I296-W309 HydrophobicContact CG2-CE3 4.21Å; I296-W309 HydrophobicContact CG2-CH2 3.54Å; I296-W309 HydrophobicContact CG2-CZ2 3.34Å; I296-W309 HydrophobicContact CG2-CZ3 3.96Å; A297-W309 HydrophobicContact CB-CH2 4.49Å; A297-W309 HydrophobicContact CB-CZ3 4.07Å; L300-W309 HydrophobicContact CD1-CB 4.4Å; L300-W309 HydrophobicContact CD1-CD2 4.09Å; L300-W309 HydrophobicContact CD1-CE3 3.77Å; L300-W309 HydrophobicContact CD1-CG 4.39Å; L300-W309 HydrophobicContact CD1-CZ3 4.4Å; F307-W309 HydrophobicContact CD2-CB 4.2Å; W309-V311 HydrophobicContact CD2-CG2 3.46Å; W309-V311 VanDerWaalsContact CD2-CG2 3.46Å; W309-V311 HydrophobicContact CE3-CG2 3.86Å; W309-V311 HydrophobicContact CG-CG2 3.91Å; W309-V311 HydrophobicContact CH2-CG2 4.06Å; W309-V311 HydrophobicContact CZ2-CG2 3.7Å; W309-V311 HydrophobicContact CZ3-CG2 4.14Å; W309-L331 HydrophobicContact CH2-CD2 3.64Å; W309-L331 HydrophobicContact CZ3-CD2 3.58Å; W309-F335 HydrophobicContact CZ3-CE1 4.4Å; W309-M344 PolarHBondContact N-O 3.16Å; W309-V345 HydrophobicContact CE3-CG1 4.44Å; W309-V345 HydrophobicContact CE3-CG2 4.28Å; W309-V345 WeakPolarHBondContact O-CA 3.11Å; W309-V346 PolarHBondContact O-N 3.05Å
310V96Very high81.9Confident10 Ų1056 Ų566%0.06132%0.316CS..EExtended strand (participates in β ladder)trans-87.7107.2171-170.20000109.4L279 L280 C281 L308 V346 D348 A350L279-V310 HydrophobicContact CD1-CG2 4.46Å; L280-V310 PolarHBondContact O-N 3.41Å; C281-V310 HydrophobicContact CB-CB 4.35Å; C281-V310 HydrophobicContact CB-CG2 4.14Å; L308-V310 HydrophobicContact CD2-CG2 4.23Å; V310-V346 CarbonylContact C-O 3.57Å; V310-V346 WeakPolarHBondContact CA-O 3.33Å; V310-V346 HydrophobicContact CB-CG2 4.31Å; V310-V346 HydrophobicContact CG1-CG2 4.45Å; V310-V346 HydrophobicContact CG2-CG2 3.88Å; V310-D348 WeakPolarHBondContact CG1-O 3.41Å; V310-A350 HydrophobicContact CG2-CB 3.63Å
311V93.8Very high79.4Confident0 Ų061.9 Ų61.90%036%0.357CS..EExtended strand (participates in β ladder)trans-93.6132.4-175.4174.60000111.2L293 W309 L327 L330 V345 V346 D348L293-V311 HydrophobicContact CD1-CG1 4.37Å; L293-V311 HydrophobicContact CD2-CG1 4.15Å; W309-V311 HydrophobicContact CD2-CG2 3.46Å; W309-V311 VanDerWaalsContact CD2-CG2 3.46Å; W309-V311 HydrophobicContact CE3-CG2 3.86Å; W309-V311 HydrophobicContact CG-CG2 3.91Å; W309-V311 HydrophobicContact CH2-CG2 4.06Å; W309-V311 HydrophobicContact CZ2-CG2 3.7Å; W309-V311 HydrophobicContact CZ3-CG2 4.14Å; V311-L327 HydrophobicContact CB-CD2 4.2Å; V311-L327 HydrophobicContact CG1-CD2 4.17Å; V311-L327 HydrophobicContact CG2-CD2 4.49Å; V311-L330 HydrophobicContact CG1-CD1 4.48Å; V311-V345 HydrophobicContact CB-CG1 4.33Å; V311-V345 HydrophobicContact CG2-CG1 3.42Å; V311-V345 VanDerWaalsContact CG2-CG1 3.42Å; V311-V346 PolarHBondContact N-O 2.82Å; V311-D348 PolarHBondContact O-N 3.43Å
312R89.9Confident77.3Confident44 Ų4461.2 Ų61.217%0.16636%0.364CS..  trans-136130.1165.8-71176.9177.9-98.9-3.8109.2G286 R287 F288 D348G286-R312 WeakPolarHBondContact O-CB 3.37Å; R287-R312 HydrophobicContact CG-CB 4.17Å; F288-R312 PolarHBondContact N-O 3.44Å; R312-D348 PolarHBondContact NE-O 2.79Å; R312-D348 VanDerWaalsContact NH2-C 3.33Å; R312-D348 PolarHBondContact NH2-O 3.14Å
313T84.7Confident75.6Confident30 Ų3064.9 Ų64.918%0.18438%0.383CS..BIsolated β-bridgetrans-97.4149.9176.6-167.40000110.5R287 L315 L330R287-T313 WeakPolarHBondContact CD-O 3.5Å; T313-L315 PolarHBondContact O-N 3.17Å; T313-L330 HydrophobicContact CG2-CD1 4.31Å
314E80.7Confident74.5Confident103 Ų10371 Ų7148%0.48141%0.412SS..PPolyproline II helixtrans-57.5134.1166.2-73.7169.9177.400109.6R287 F288 S289 G316R287-E314 HydrophobicContact CB-CG 3.87Å; F288-E314 PolarHBondContact O-N 3.41Å; S289-E314 WeakPolarHBondContact CA-OE2 3.46Å; S289-E314 WeakPolarHBondContact CB-OE2 3.39Å; S289-E314 PolarHBondContact N-OE2 3.39Å; E314-G316 PolarHBondContact O-N 3.08Å
315L66Low73.8Confident118 Ų11867.6 Ų67.662%0.61840%0.397SS*.PPolyproline II helixtrans-66.2128167.2-64.3172.5000106.3L52 T313L52-L315 HydrophobicContact CD2-CD1 4.15Å; T313-L315 PolarHBondContact O-N 3.17Å
316G52.5Low73.3Confident39 Ų3968.8 Ų68.840%0.40241%0.408SS..PPolyproline II helixtrans-56.5161.5172.600000111.2E314 D320E314-G316 PolarHBondContact O-N 3.08Å; G316-D320 VanDerWaalsContact CA-OD2 3.29Å; G316-D320 WeakPolarHBondContact CA-OD2 3.28Å
317G46.3Very low72.9Confident61 Ų6166.6 Ų66.663%0.62940%0.402SS*.PPolyproline II helixtrans-54.2173.2-175.400000113.4D319 D320G317-D319 PolarHBondContact O-N 3.47Å; G317-D320 PolarHBondContact O-N 3.25Å
318A41.7Very low72.5Confident118 Ų11871.6 Ų71.698%0.97543%0.429SS*.THydrogen-bonded Turntrans-53.7-4.4-170.600000117.5
319D43.3Very low72.1Confident156 Ų15677.1 Ų77.183%0.83445%0.454SS*.THydrogen-bonded Turntrans-103.1-5.2174.9-87.6-27.7000114.8G317 S321G317-D319 PolarHBondContact O-N 3.47Å; D319-S321 VanDerWaalsContact C-N 3.34Å; D319-S321 PolarHBondContact O-N 2.91Å
320D46.4Very low71.8Confident98 Ų9877.1 Ų77.152%0.52446%0.455SS..  trans-82.582.3-179.6-84.3-19.6000111.3G316 G317 A322G316-D320 VanDerWaalsContact CA-OD2 3.29Å; G316-D320 WeakPolarHBondContact CA-OD2 3.28Å; G317-D320 PolarHBondContact O-N 3.25Å; D320-A322 HydrophobicContact CB-CB 4.14Å; D320-A322 PolarHBondContact O-N 3.28Å
321S45.8Very low71.7Confident125 Ų12577 Ų7787%0.87445%0.454SS*.  trans-67.213.7149.755.30000112.9D319 E323D319-S321 VanDerWaalsContact C-N 3.34Å; D319-S321 PolarHBondContact O-N 2.91Å; S321-E323 PolarHBondContact O-N 3.08Å
322A52.4Low71.8Confident60 Ų6078.4 Ų78.450%0.49646%0.462SS..  trans-69.1128.8-175.500000110.8D320D320-A322 HydrophobicContact CB-CB 4.14Å; D320-A322 PolarHBondContact O-N 3.28Å
323E61.1Low72.1Confident181 Ų18185 Ų8585%0.84650%0.495SS*.  trans-46.3141.2171.5-68178.3163.600111S321 L325S321-E323 PolarHBondContact O-N 3.08Å; E323-L325 PolarHBondContact O-N 3.07Å
324E74.2Confident72.6Confident128 Ų12885.1 Ų85.160%0.59850%0.503SS*.  trans-63.1104.9179.1-172.5174.6-166.600109.4R347E324-R347 VanDerWaalsContact CD-NH1 3.33Å; E324-R347 IonicContact OE1-CZ 2.85Å; E324-R347 IonicContact OE1-NE 3.53Å; E324-R347 IonicContact OE1-NH1 3.5Å; E324-R347 PolarHBondContact OE1-NH1 3.04Å
325L81.9Confident73.4Confident41 Ų4180.3 Ų80.322%0.21548%0.48CS..  trans-50.1143.4-177.8-68.7-174.5000112.2E323 E329 L330 R347E323-L325 PolarHBondContact O-N 3.07Å; L325-E329 HydrophobicContact CB-CB 4.17Å; L325-E329 HydrophobicContact CD1-CB 4.41Å; L325-E329 HydrophobicContact CD2-CB 4.35Å; L325-L330 HydrophobicContact CB-CD2 4.07Å; L325-L330 HydrophobicContact CB-CG 4.05Å; L325-L330 HydrophobicContact CD1-CD2 3.75Å; L325-L330 HydrophobicContact CD1-CG 4.46Å; L325-R347 PolarHBondContact O-NH2 3.16Å
326S88.5Confident74.9Confident49 Ų4976.8 Ų76.834%0.34346%0.462SS..  trans-63.4162.8170.264.80000111.8D328 E329 L330S326-D328 PolarHBondContact O-N 3.08Å; S326-E329 WeakPolarHBondContact CB-OE2 3.36Å; S326-E329 PolarHBondContact N-OE2 3.02Å; S326-E329 PolarHBondContact O-N 3.12Å; S326-E329 VanDerWaalsContact OG-CG 3.26Å; S326-E329 WeakPolarHBondContact OG-CG 3.48Å; S326-E329 PolarHBondContact OG-N 2.77Å; S326-E329 PolarHBondContact OG-OE2 3.38Å; S326-L330 PolarHBondContact O-N 2.81Å
327L91.1Very high77Confident33 Ų3380.7 Ų80.717%0.17347%0.47CS..Hα-helixtrans-62.5-35.2173.4-71.1175.3000111.4V311 E329 L330 L331 L336 V345V311-L327 HydrophobicContact CB-CD2 4.2Å; V311-L327 HydrophobicContact CG1-CD2 4.17Å; V311-L327 HydrophobicContact CG2-CD2 4.49Å; L327-E329 VanDerWaalsContact C-N 3.26Å; L327-E329 PolarHBondContact O-N 2.75Å; L327-L330 PolarHBondContact O-N 3.42Å; L327-L331 HydrophobicContact CB-CD1 4.39Å; L327-L331 WeakPolarHBondContact O-CB 3.2Å; L327-L331 VanDerWaalsContact O-CG 3.23Å; L327-L331 WeakPolarHBondContact O-CG 3.38Å; L327-L331 PolarHBondContact O-N 2.74Å; L327-L336 HydrophobicContact CB-CD1 3.99Å; L327-V345 HydrophobicContact CD1-CB 4.38Å; L327-V345 HydrophobicContact CD1-CG1 3.95Å; L327-V345 HydrophobicContact CD2-CG1 4.08Å
328D90.3Very high79.4Confident108 Ų10884 Ų8458%0.57846%0.463SS*.Hα-helixtrans-62.4-31.7176.5-66.4-73.4000112.9S326S326-D328 PolarHBondContact O-N 3.08Å
329E89.6Confident82Confident116 Ų11679 Ų7954%0.54242%0.42SS..Hα-helixtrans-82.1-26.2176.8-71.2167.3118.300113.3L325 S326 L327L325-E329 HydrophobicContact CB-CB 4.17Å; L325-E329 HydrophobicContact CD1-CB 4.41Å; L325-E329 HydrophobicContact CD2-CB 4.35Å; S326-E329 WeakPolarHBondContact CB-OE2 3.36Å; S326-E329 PolarHBondContact N-OE2 3.02Å; S326-E329 PolarHBondContact O-N 3.12Å; S326-E329 VanDerWaalsContact OG-CG 3.26Å; S326-E329 WeakPolarHBondContact OG-CG 3.48Å; S326-E329 PolarHBondContact OG-N 2.77Å; S326-E329 PolarHBondContact OG-OE2 3.38Å; L327-E329 VanDerWaalsContact C-N 3.26Å; L327-E329 PolarHBondContact O-N 2.75Å
330L90.5Very high84.5Confident2 Ų277 Ų771%0.0140%0.404CS..Hα-helixtrans-80.8-33.1178.5-74.2-178.1000113R290 L293 V311 T313 L325 S326 L327R290-L330 HydrophobicContact CG-CD2 4.15Å; L293-L330 HydrophobicContact CD1-CD1 4.37Å; L293-L330 HydrophobicContact CD1-CD2 4.45Å; V311-L330 HydrophobicContact CG1-CD1 4.48Å; T313-L330 HydrophobicContact CG2-CD1 4.31Å; L325-L330 HydrophobicContact CB-CD2 4.07Å; L325-L330 HydrophobicContact CB-CG 4.05Å; L325-L330 HydrophobicContact CD1-CD2 3.75Å; L325-L330 HydrophobicContact CD1-CG 4.46Å; S326-L330 PolarHBondContact O-N 2.81Å; L327-L330 PolarHBondContact O-N 3.42Å
331L94.4Very high86.7Confident8 Ų880 Ų804%0.04242%0.415CS..SBendtrans-100.1164.9-171-57.1177.5000111.1A297 W309 L327 F335 L336 V345A297-L331 HydrophobicContact CB-CD2 4.31Å; W309-L331 HydrophobicContact CH2-CD2 3.64Å; W309-L331 HydrophobicContact CZ3-CD2 3.58Å; L327-L331 HydrophobicContact CB-CD1 4.39Å; L327-L331 WeakPolarHBondContact O-CB 3.2Å; L327-L331 VanDerWaalsContact O-CG 3.23Å; L327-L331 WeakPolarHBondContact O-CG 3.38Å; L327-L331 PolarHBondContact O-N 2.74Å; L331-F335 HydrophobicContact CB-CB 4.37Å; L331-F335 HydrophobicContact CB-CD1 4.11Å; L331-F335 HydrophobicContact CD1-CD1 3.68Å; L331-F335 HydrophobicContact CD1-CE1 3.98Å; L331-F335 HydrophobicContact CG-CD1 4.4Å; L331-L336 HydrophobicContact CD1-CD2 3.81Å; L331-L336 HydrophobicContact CD1-CG 4.31Å; L331-V345 HydrophobicContact CD1-CG1 4.26Å; L331-V345 HydrophobicContact CD1-CG2 4.46Å
332P96.3Very high89.1Confident28 Ų2878.2 Ų78.218%0.18239%0.392CS..PPolyproline II helixtrans-56.5141.9172.9-23.534.3000111.4K294 A297 I298 G334 F335K294-P332 HydrophobicContact CB-CG 4.48Å; K294-P332 HydrophobicContact CG-CG 4.46Å; A297-P332 VanDerWaalsContact CB-CD 3.44Å; A297-P332 HydrophobicContact CB-CG 3.88Å; I298-P332 HydrophobicContact CG1-CG 4.11Å; P332-G334 PolarHBondContact O-N 3.43Å; P332-F335 HydrophobicContact CB-CB 4.38Å; P332-F335 WeakPolarHBondContact O-CB 3.39Å; P332-F335 PolarHBondContact O-N 3.22Å
333E96.2Very high91.2Very high183 Ų18375.8 Ų75.886%0.85537%0.372SS*.THydrogen-bonded Turntrans-50.4129.3-178.7-175.3-178.2172.800111.3F335 R338E333-F335 PolarHBondContact O-N 2.98Å; E333-R338 PolarHBondContact O-NH1 2.68Å
334G96.3Very high93Very high33 Ų3368.7 Ų68.734%0.3434%0.339SS..THydrogen-bonded Turntrans71.25.4179.200000115.7P332 L336 E337 R338P332-G334 PolarHBondContact O-N 3.43Å; G334-L336 PolarHBondContact O-N 3.22Å; G334-E337 PolarHBondContact O-N 3.39Å; G334-R338 WeakPolarHBondContact O-CG 3.46Å; G334-R338 PolarHBondContact O-N 3.45Å; G334-R338 PolarHBondContact O-NH1 3.2Å
335F97.6Very high94.1Very high1 Ų163.7 Ų63.70%0.00432%0.317CS..Hα-helixtrans-57-46.6-178.7170.5-101.4000113A297 E301 F307 W309 L331 P332 E333 E337 R338 T339 V345A297-F335 HydrophobicContact CB-CD1 4.3Å; A297-F335 HydrophobicContact CB-CD2 3.9Å; A297-F335 HydrophobicContact CB-CE1 4.15Å; A297-F335 HydrophobicContact CB-CE2 3.74Å; A297-F335 HydrophobicContact CB-CG 4.16Å; A297-F335 HydrophobicContact CB-CZ 3.87Å; A297-F335 WeakPolarHBondContact O-CE2 3.2Å; E301-F335 HydrophobicContact CB-CE2 4.29Å; F307-F335 HydrophobicContact CE2-CE1 4.48Å; F307-F335 HydrophobicContact CE2-CZ 4.04Å; F307-F335 HydrophobicContact CZ-CE1 4.29Å; F307-F335 HydrophobicContact CZ-CE2 4.29Å; F307-F335 AromaticContact CZ-CZ 3.57Å; F307-F335 HydrophobicContact CZ-CZ 3.57Å; W309-F335 HydrophobicContact CZ3-CE1 4.4Å; L331-F335 HydrophobicContact CB-CB 4.37Å; L331-F335 HydrophobicContact CB-CD1 4.11Å; L331-F335 HydrophobicContact CD1-CD1 3.68Å; L331-F335 HydrophobicContact CD1-CE1 3.98Å; L331-F335 HydrophobicContact CG-CD1 4.4Å; P332-F335 HydrophobicContact CB-CB 4.38Å; P332-F335 WeakPolarHBondContact O-CB 3.39Å; P332-F335 PolarHBondContact O-N 3.22Å; E333-F335 PolarHBondContact O-N 2.98Å; F335-E337 VanDerWaalsContact C-N 3.33Å; F335-E337 PolarHBondContact O-N 3.46Å; F335-R338 PolarHBondContact O-N 3.46Å; F335-T339 HydrophobicContact CD2-CG2 3.96Å; F335-T339 HydrophobicContact CE2-CG2 3.68Å; F335-T339 HydrophobicContact CZ-CG2 4.2Å; F335-T339 WeakPolarHBondContact O-CB 3.29Å; F335-T339 WeakPolarHBondContact O-CG2 3.38Å; F335-T339 PolarHBondContact O-N 3.4Å; F335-T339 PolarHBondContact O-OG1 2.99Å; F335-V345 HydrophobicContact CE1-CG2 3.94Å
336L96.9Very high94.7Very high45 Ų4562.1 Ų62.124%0.23631%0.309CS..Hα-helixtrans-60.8-43.8179.9-63.6-179.3000111.3L327 L331 G334 T339 K340 V345L327-L336 HydrophobicContact CB-CD1 3.99Å; L331-L336 HydrophobicContact CD1-CD2 3.81Å; L331-L336 HydrophobicContact CD1-CG 4.31Å; G334-L336 PolarHBondContact O-N 3.22Å; L336-T339 PolarHBondContact O-N 3.12Å; L336-K340 WeakPolarHBondContact O-CB 3.35Å; L336-K340 PolarHBondContact O-N 3.45Å; L336-V345 HydrophobicContact CD2-CB 3.87Å; L336-V345 HydrophobicContact CD2-CG2 3.65Å
337E96.4Very high94.8Very high121 Ų12161.7 Ų61.757%0.56530%0.301SS*.Hα-helixtrans-68.4-42.6179.1-178.458.1-158.600112.2G334 F335 T339 K340G334-E337 PolarHBondContact O-N 3.39Å; F335-E337 VanDerWaalsContact C-N 3.33Å; F335-E337 PolarHBondContact O-N 3.46Å; E337-T339 VanDerWaalsContact C-N 3.25Å; E337-T339 PolarHBondContact O-N 3.06Å; E337-K340 WeakPolarHBondContact O-CG 3.31Å; E337-K340 WeakPolarHBondContact OE1-CE 3.33Å; E337-K340 IonicContact OE1-NZ 3.46Å; E337-K340 PolarHBondContact OE1-NZ 3.29Å; E337-K340 IonicContact OE2-NZ 3.78Å
338R96.7Very high94.5Very high129 Ų12962.6 Ų62.649%0.48731%0.306SS..Hα-helixtrans-64.9-29177.3-73.4-163.4-55-77-4.9113E301 E333 G334 F335E301-R338 IonicContact OE1-CZ 2.64Å; E301-R338 IonicContact OE1-NE 3.06Å; E301-R338 PolarHBondContact OE1-NE 2.99Å; E301-R338 IonicContact OE1-NH2 3.76Å; E301-R338 IonicContact OE2-CZ 3.71Å; E301-R338 IonicContact OE2-NE 3.8Å; E301-R338 IonicContact OE2-NH2 3.74Å; E301-R338 PolarHBondContact OE2-NH2 2.87Å; E333-R338 PolarHBondContact O-NH1 2.68Å; G334-R338 WeakPolarHBondContact O-CG 3.46Å; G334-R338 PolarHBondContact O-N 3.45Å; G334-R338 PolarHBondContact O-NH1 3.2Å; F335-R338 PolarHBondContact O-N 3.46Å
339T96.7Very high94.3Very high13 Ų1360.3 Ų60.38%0.0829%0.289CS..Hα-helixtrans-104.5-5.5-174.559.80000114.5E301 F307 F335 L336 E337 E341 K342 G343E301-T339 HydrophobicContact CG-CG2 4.41Å; F307-T339 HydrophobicContact CE1-CG2 4.21Å; F307-T339 HydrophobicContact CZ-CG2 4.08Å; F335-T339 HydrophobicContact CD2-CG2 3.96Å; F335-T339 HydrophobicContact CE2-CG2 3.68Å; F335-T339 HydrophobicContact CZ-CG2 4.2Å; F335-T339 WeakPolarHBondContact O-CB 3.29Å; F335-T339 WeakPolarHBondContact O-CG2 3.38Å; F335-T339 PolarHBondContact O-N 3.4Å; F335-T339 PolarHBondContact O-OG1 2.99Å; L336-T339 PolarHBondContact O-N 3.12Å; E337-T339 VanDerWaalsContact C-N 3.25Å; E337-T339 PolarHBondContact O-N 3.06Å; T339-E341 PolarHBondContact O-N 3.24Å; T339-K342 CarbonylContact O-C 3.57Å; T339-K342 PolarHBondContact O-N 3.3Å; T339-G343 WeakPolarHBondContact O-CA 3.48Å; T339-G343 PolarHBondContact O-N 3.11Å
340K94.3Very high94.3Very high114 Ų11455 Ų5550%0.49627%0.265SS..THydrogen-bonded Turntrans-49.2-28.4-172.770.8-173.5179.6179.30116.6L336 E337L336-K340 WeakPolarHBondContact O-CB 3.35Å; L336-K340 PolarHBondContact O-N 3.45Å; E337-K340 WeakPolarHBondContact O-CG 3.31Å; E337-K340 WeakPolarHBondContact OE1-CE 3.33Å; E337-K340 IonicContact OE1-NZ 3.46Å; E337-K340 PolarHBondContact OE1-NZ 3.29Å; E337-K340 IonicContact OE2-NZ 3.78Å
341E93.1Very high94.4Very high161 Ų16155.2 Ų55.275%0.75227%0.266SS*.THydrogen-bonded Turntrans-80.2-24.7179.1-63.7-17117000113.6T339T339-E341 PolarHBondContact O-N 3.24Å
342K95.9Very high94.3Very high89 Ų8955.6 Ų55.639%0.38727%0.268SS..THydrogen-bonded Turntrans-120.5-17.1-175.4-68.2-174.7175.4-172.90113.6E304 R306 F307 T339E304-K342 PolarHBondContact O-NZ 3.23Å; E304-K342 VanDerWaalsContact O-NZ 3.09Å; R306-K342 CarbonylContact C-O 3.48Å; R306-K342 WeakPolarHBondContact CA-O 3.2Å; R306-K342 VanDerWaalsContact CB-O 3.31Å; R306-K342 WeakPolarHBondContact CB-O 3.38Å; R306-K342 HydrophobicContact CG-CB 4.06Å; R306-K342 HydrophobicContact CG-CG 4.23Å; F307-K342 PolarHBondContact N-O 3.01Å; T339-K342 CarbonylContact O-C 3.57Å; T339-K342 PolarHBondContact O-N 3.3Å
343G97.8Very high94.2Very high8 Ų855 Ų558%0.08227%0.265CS..EExtended strand (participates in β ladder)trans-126.3137.5-170.400000112.1F307 T339F307-G343 WeakPolarHBondContact O-CA 3.45Å; T339-G343 WeakPolarHBondContact O-CA 3.48Å; T339-G343 PolarHBondContact O-N 3.11Å
344M97.7Very high94.1Very high32 Ų3246.9 Ų46.916%0.15823%0.229CC..EExtended strand (participates in β ladder)trans-121.7132.1165.8-177.6171.8-175.500109.4K263 W268 F307 L308 W309 V346K263-M344 VanDerWaalsContact O-CE 3.26Å; K263-M344 WeakPolarHBondContact O-CE 3.41Å; W268-M344 HydrophobicContact CB-SD 3.48Å; W268-M344 WeakPolarHBondContact CB-SD 3.18Å; W268-M344 HydrophobicContact CD2-CB 3.74Å; W268-M344 HydrophobicContact CD2-CG 4.5Å; W268-M344 HydrophobicContact CD2-SD 4.01Å; W268-M344 HydrophobicContact CE3-CB 4.06Å; W268-M344 HydrophobicContact CE3-SD 4.35Å; W268-M344 HydrophobicContact CG-CB 4.13Å; W268-M344 HydrophobicContact CG-CG 4.46Å; W268-M344 HydrophobicContact CG-SD 3.62Å; W268-M344 HydrophobicContact CH2-CB 4.41Å; W268-M344 HydrophobicContact CZ2-CB 4.11Å; W268-M344 HydrophobicContact CZ3-CB 4.37Å; F307-M344 PolarHBondContact O-N 3.25Å; L308-M344 CarbonylContact C-O 3.58Å; L308-M344 WeakPolarHBondContact CA-O 3.44Å; L308-M344 HydrophobicContact CG-CB 4.48Å; W309-M344 PolarHBondContact N-O 3.16Å; M344-V346 HydrophobicContact CE-CG1 3.64Å; M344-V346 HydrophobicContact CG-CG1 4.22Å
345V97.1Very high94.1Very high23 Ų2345.3 Ų45.314%0.13921%0.213CC..EExtended strand (participates in β ladder)trans-117.5126176-173.90000108.7F307 W309 V311 L327 L331 F335 L336F307-V345 HydrophobicContact CE2-CG2 4.14Å; W309-V345 HydrophobicContact CE3-CG1 4.44Å; W309-V345 HydrophobicContact CE3-CG2 4.28Å; W309-V345 WeakPolarHBondContact O-CA 3.11Å; V311-V345 HydrophobicContact CB-CG1 4.33Å; V311-V345 HydrophobicContact CG2-CG1 3.42Å; V311-V345 VanDerWaalsContact CG2-CG1 3.42Å; L327-V345 HydrophobicContact CD1-CB 4.38Å; L327-V345 HydrophobicContact CD1-CG1 3.95Å; L327-V345 HydrophobicContact CD2-CG1 4.08Å; L331-V345 HydrophobicContact CD1-CG1 4.26Å; L331-V345 HydrophobicContact CD1-CG2 4.46Å; F335-V345 HydrophobicContact CE1-CG2 3.94Å; L336-V345 HydrophobicContact CD2-CB 3.87Å; L336-V345 HydrophobicContact CD2-CG2 3.65Å
346V94.4Very high94.1Very high8 Ų845.5 Ų45.55%0.04821%0.214CC..EExtended strand (participates in β ladder)trans-123.5141.6177-650000110.2K263 L308 W309 V310 V311 M344 A350K263-V346 HydrophobicContact CB-CG1 4.38Å; L308-V346 HydrophobicContact CD2-CG2 4.19Å; W309-V346 PolarHBondContact O-N 3.05Å; V310-V346 CarbonylContact C-O 3.57Å; V310-V346 WeakPolarHBondContact CA-O 3.33Å; V310-V346 HydrophobicContact CB-CG2 4.31Å; V310-V346 HydrophobicContact CG1-CG2 4.45Å; V310-V346 HydrophobicContact CG2-CG2 3.88Å; V311-V346 PolarHBondContact N-O 2.82Å; M344-V346 HydrophobicContact CE-CG1 3.64Å; M344-V346 HydrophobicContact CG-CG1 4.22Å; V346-A350 HydrophobicContact CG2-CB 3.99Å
347R90.9Very high94Very high41 Ų4146.2 Ų46.216%0.15522%0.223CC..EExtended strand (participates in β ladder)trans-87.7139.9179.9-177.3178.1-95-85.3-0.4111K263 E324 L325 W349K263-R347 PolarHBondContact NZ-O 2.89Å; E324-R347 VanDerWaalsContact CD-NH1 3.33Å; E324-R347 IonicContact OE1-CZ 2.85Å; E324-R347 IonicContact OE1-NE 3.53Å; E324-R347 IonicContact OE1-NH1 3.5Å; E324-R347 PolarHBondContact OE1-NH1 3.04Å; L325-R347 PolarHBondContact O-NH2 3.16Å; R347-W349 VanDerWaalsContact C-N 3.31Å; R347-W349 PolarHBondContact O-N 3.06Å
348D85.3Confident94.1Very high52 Ų5241.9 Ų41.928%0.27820%0.203SC..SBendtrans62.8-66.7174.3-60.2-48.3000116.9V310 V311 R312V310-D348 WeakPolarHBondContact CG1-O 3.41Å; V311-D348 PolarHBondContact O-N 3.43Å; R312-D348 PolarHBondContact NE-O 2.79Å; R312-D348 VanDerWaalsContact NH2-C 3.33Å; R312-D348 PolarHBondContact NH2-O 3.14Å
349W86.4Confident94.1Very high60 Ų6040.6 Ų40.623%0.22721%0.206CC..  trans-132.2142.2-166.5-162.5-93.2000111.6R13 E260 R347R13-W349 VanDerWaalsContact NH1-CZ2 3.31Å; E260-W349 WeakPolarHBondContact OE1-CZ2 3.49Å; E260-W349 PolarHBondContact OE1-NE1 3.49Å; R347-W349 VanDerWaalsContact C-N 3.31Å; R347-W349 PolarHBondContact O-N 3.06Å
350A90Very high94.2Very high4 Ų440.2 Ų40.23%0.03320%0.203CC..  trans-146.7153169.800000108.3V310 V346 Q352 I355V310-A350 HydrophobicContact CG2-CB 3.63Å; V346-A350 HydrophobicContact CG2-CB 3.99Å; A350-Q352 PolarHBondContact O-N 2.91Å; A350-I355 HydrophobicContact CB-CD1 3.66Å
351P91.3Very high94.4Very high6 Ų635.2 Ų35.24%0.03918%0.182CC..  trans-74.676.9-177.831.9-36.5000110.4E260 D262 A353 A354 I355E260-P351 HydrophobicContact CB-CB 4.2Å; D262-P351 HydrophobicContact CB-CG 4.31Å; P351-A353 VanDerWaalsContact C-N 3.3Å; P351-A353 PolarHBondContact O-N 3.4Å; P351-A354 HydrophobicContact CB-CB 4Å; P351-A354 HydrophobicContact CG-CB 4.3Å; P351-A354 WeakPolarHBondContact O-CB 3.33Å; P351-A354 PolarHBondContact O-N 2.87Å; P351-I355 HydrophobicContact CG-CD1 4.4Å; P351-I355 HydrophobicContact CG-CG1 4.39Å; P351-I355 PolarHBondContact O-N 2.94Å
352Q93.8Very high94.7Very high17 Ų1727.5 Ų27.58%0.07915%0.146CC..Hα-helixtrans-51.3-45.7-170179.5172.2-63.500112.9L279 C281 A350 A354 I355 L356 S372 E375L279-Q352 HydrophobicContact CD2-CG 4.23Å; C281-Q352 PolarHBondContact SG-OE1 3.24Å; A350-Q352 PolarHBondContact O-N 2.91Å; Q352-A354 PolarHBondContact O-N 3.14Å; Q352-I355 PolarHBondContact O-N 3.42Å; Q352-L356 HydrophobicContact CG-CD1 3.84Å; Q352-L356 HydrophobicContact CG-CG 4.28Å; Q352-L356 WeakPolarHBondContact O-CB 3.49Å; Q352-L356 WeakPolarHBondContact O-CG 3.38Å; Q352-L356 PolarHBondContact O-N 3.43Å; Q352-S372 VanDerWaalsContact NE2-CB 3.32Å; Q352-S372 PolarHBondContact NE2-OG 3.02Å; Q352-E375 PolarHBondContact NE2-OE2 3.48Å
353A92.7Very high94.8Very high15 Ų1523.3 Ų23.312%0.12413%0.128CC..Hα-helixtrans-61.1-43.2178.700000112P257 P351 L356 S357P257-A353 HydrophobicContact CG-CB 4.19Å; P351-A353 VanDerWaalsContact C-N 3.3Å; P351-A353 PolarHBondContact O-N 3.4Å; A353-L356 PolarHBondContact O-N 3.26Å; A353-S357 PolarHBondContact O-N 3.49Å; A353-S357 VanDerWaalsContact O-N 3.12Å; A353-S357 PolarHBondContact O-OG 3.42Å
354A94.3Very high94.8Very high13 Ų1322.9 Ų22.911%0.10712%0.124CC..Hα-helixtrans-66.1-41.1177.300000111.6P257 L266 P351 Q352 S357 H358P257-A354 HydrophobicContact CB-CB 4.21Å; P257-A354 HydrophobicContact CG-CB 4.36Å; L266-A354 HydrophobicContact CD1-CB 4.26Å; L266-A354 HydrophobicContact CD2-CB 4.2Å; P351-A354 HydrophobicContact CB-CB 4Å; P351-A354 HydrophobicContact CG-CB 4.3Å; P351-A354 WeakPolarHBondContact O-CB 3.33Å; P351-A354 PolarHBondContact O-N 2.87Å; Q352-A354 PolarHBondContact O-N 3.14Å; A354-S357 PolarHBondContact O-N 2.93Å; A354-S357 PolarHBondContact O-OG 3.31Å; A354-H358 PolarHBondContact O-N 3.22Å
355I96.9Very high94.9Very high0 Ų021.4 Ų21.40%012%0.116CC..Hα-helixtrans-63.1-48.3177-67.6166.4000110.7C265 L269 L279 L308 A350 P351 Q352 S357 H358 V361C265-I355 HydrophobicContact CB-CD1 3.92Å; C265-I355 HydrophobicContact CB-CG1 4.24Å; L269-I355 HydrophobicContact CD1-CB 4.29Å; L269-I355 HydrophobicContact CD1-CG1 4.06Å; L269-I355 HydrophobicContact CD1-CG2 3.88Å; L279-I355 HydrophobicContact CB-CG2 4.5Å; L279-I355 HydrophobicContact CD1-CG2 4.04Å; L279-I355 HydrophobicContact CD2-CG2 3.97Å; L279-I355 HydrophobicContact CG-CG2 4.39Å; L308-I355 HydrophobicContact CD1-CD1 4.1Å; L308-I355 HydrophobicContact CD1-CG1 4.49Å; L308-I355 HydrophobicContact CD1-CG2 4.39Å; L308-I355 HydrophobicContact CD2-CD1 4.19Å; A350-I355 HydrophobicContact CB-CD1 3.66Å; P351-I355 HydrophobicContact CG-CD1 4.4Å; P351-I355 HydrophobicContact CG-CG1 4.39Å; P351-I355 PolarHBondContact O-N 2.94Å; Q352-I355 PolarHBondContact O-N 3.42Å; I355-S357 PolarHBondContact O-N 3.03Å; I355-H358 WeakPolarHBondContact O-CB 3.47Å; I355-H358 PolarHBondContact O-N 3.41Å; I355-V361 HydrophobicContact CG2-CG2 3.87Å; I355-V361 WeakPolarHBondContact O-CG2 3.02Å
356L97.2Very high95Very high4 Ų420.3 Ų20.32%0.02111%0.11CC..Hα-helixtrans-61.1-32179.3-74.5172.8000112.5L279 Q352 A353 H358 F364 E375 E379 V381L279-L356 HydrophobicContact CD2-CD2 3.81Å; L279-L356 HydrophobicContact CD2-CG 3.98Å; Q352-L356 HydrophobicContact CG-CD1 3.84Å; Q352-L356 HydrophobicContact CG-CG 4.28Å; Q352-L356 WeakPolarHBondContact O-CB 3.49Å; Q352-L356 WeakPolarHBondContact O-CG 3.38Å; Q352-L356 PolarHBondContact O-N 3.43Å; A353-L356 PolarHBondContact O-N 3.26Å; L356-H358 PolarHBondContact O-N 2.93Å; L356-F364 HydrophobicContact CD1-CD1 4.48Å; L356-F364 HydrophobicContact CD1-CE1 4.27Å; L356-F364 HydrophobicContact CD2-CB 4.13Å; L356-F364 HydrophobicContact CD2-CD1 3.97Å; L356-F364 HydrophobicContact CD2-CE1 4.46Å; L356-F364 HydrophobicContact CD2-CG 4.01Å; L356-E375 HydrophobicContact CD1-CB 3.68Å; L356-E379 HydrophobicContact CB-CB 4.38Å; L356-E379 HydrophobicContact CB-CG 4.19Å; L356-E379 WeakPolarHBondContact O-CB 3.49Å; L356-V381 HydrophobicContact CD2-CB 4.23Å; L356-V381 HydrophobicContact CD2-CG1 4.09Å; L356-V381 HydrophobicContact CD2-CG2 4.21Å
357S95.7Very high95.1Very high61 Ų6120.3 Ų20.343%0.42711%0.109SC..THydrogen-bonded Turntrans-75-8.517673.60000114.5A353 A354 I355A353-S357 PolarHBondContact O-N 3.49Å; A353-S357 VanDerWaalsContact O-N 3.12Å; A353-S357 PolarHBondContact O-OG 3.42Å; A354-S357 PolarHBondContact O-N 2.93Å; A354-S357 PolarHBondContact O-OG 3.31Å; I355-S357 PolarHBondContact O-N 3.03Å
358H97.4Very high95.4Very high30 Ų3018.3 Ų18.314%0.13910%0.102CC..SBendtrans-82.1131.5-174.9-166.6-72.8000111.7L269 N270 A354 I355 L356 S360 V361L269-H358 VanDerWaalsContact C-CE1 3.43Å; L269-H358 HydrophobicContact CD1-CB 4.16Å; L269-H358 PolarHBondContact O-CE1 3.34Å; N270-H358 PolarHBondContact OD1-NE2 3.13Å; N270-H358 VanDerWaalsContact OD1-NE2 3.16Å; A354-H358 PolarHBondContact O-N 3.22Å; I355-H358 WeakPolarHBondContact O-CB 3.47Å; I355-H358 PolarHBondContact O-N 3.41Å; L356-H358 PolarHBondContact O-N 2.93Å; H358-S360 PolarHBondContact CE1-OG 3.4Å; H358-S360 PolarHBondContact ND1-N 2.75Å; H358-S360 VanDerWaalsContact ND1-N 3.18Å; H358-S360 PolarHBondContact ND1-OG 3.45Å; H358-S360 PolarHBondContact O-N 2.89Å; H358-S360 VanDerWaalsContact O-N 3.11Å; H358-V361 HydrophobicContact CB-CG2 4.42Å; H358-V361 WeakPolarHBondContact O-CB 3.47Å; H358-V361 PolarHBondContact O-N 2.85Å
359D97.7Very high95.9Very high102 Ų10216.4 Ų16.455%0.5459%0.094SC..THydrogen-bonded Turntrans-55.6-35-174.6-178.766.7000114S274 Q275 V361S274-D359 WeakPolarHBondContact CA-OD2 3.48Å; S274-D359 WeakPolarHBondContact CB-OD2 3.16Å; S274-D359 PolarHBondContact OG-OD1 3.49Å; S274-D359 PolarHBondContact OG-OD2 2.83Å; Q275-D359 PolarHBondContact N-O 2.84Å; D359-V361 PolarHBondContact O-N 3.2Å
360S98.5Very high96.4Very high5 Ų513.8 Ų13.84%0.0358%0.084CC..THydrogen-bonded Turntrans-66.7-15.7177-46.80000115L269 Q272 P273 Q275 S276 V277 H358 G362L269-S360 PolarHBondContact O-OG 3.11Å; Q272-S360 PolarHBondContact O-OG 3.48Å; P273-S360 WeakPolarHBondContact O-CA 3.11Å; P273-S360 WeakPolarHBondContact O-CB 3.24Å; Q275-S360 CarbonylContact C-O 3.6Å; S276-S360 PolarHBondContact N-O 2.83Å; V277-S360 WeakPolarHBondContact CB-O 3.18Å; V277-S360 PolarHBondContact N-O 2.79Å; H358-S360 PolarHBondContact CE1-OG 3.4Å; H358-S360 PolarHBondContact ND1-N 2.75Å; H358-S360 VanDerWaalsContact ND1-N 3.18Å; H358-S360 PolarHBondContact ND1-OG 3.45Å; H358-S360 PolarHBondContact O-N 2.89Å; H358-S360 VanDerWaalsContact O-N 3.11Å; S360-G362 PolarHBondContact O-N 3.01Å
361V98.6Very high96.6Very high8 Ų815.3 Ų15.35%0.0489%0.092CC..EExtended strand (participates in β ladder)trans-78.2115.5177.7176.50000110.2L269 V277 I355 H358 D359 V381L269-V361 HydrophobicContact CD2-CG2 4.09Å; V277-V361 CarbonylContact O-C 3.34Å; V277-V361 WeakPolarHBondContact O-CA 3.43Å; I355-V361 HydrophobicContact CG2-CG2 3.87Å; I355-V361 WeakPolarHBondContact O-CG2 3.02Å; H358-V361 HydrophobicContact CB-CG2 4.42Å; H358-V361 WeakPolarHBondContact O-CB 3.47Å; H358-V361 PolarHBondContact O-N 2.85Å; D359-V361 PolarHBondContact O-N 3.2Å; V361-V381 HydrophobicContact CG1-CG1 3.85Å; V361-V381 HydrophobicContact CG1-CG2 4.23Å
362G98.5Very high96.8Very high0 Ų015.5 Ų15.50%09%0.093CC..EExtended strand (participates in β ladder)trans-105.5-13-179.100000114.6Q275 V277 S360 P382 R439Q275-G362 WeakPolarHBondContact O-CA 3.39Å; V277-G362 PolarHBondContact O-N 3.28Å; S360-G362 PolarHBondContact O-N 3.01Å; G362-P382 WeakPolarHBondContact O-CD 3.45Å; G362-P382 WeakPolarHBondContact O-CG 3.44Å; G362-R439 VanDerWaalsContact O-CZ 3.29Å; G362-R439 PolarHBondContact O-NH1 3.26Å; G362-R439 PolarHBondContact O-NH2 2.76Å
363G98.8Very high97Very high0 Ų014.7 Ų14.70%09%0.089CC..EExtended strand (participates in β ladder)trans-165164.917800000113.4V277 V278 L279 P382V277-G363 PolarHBondContact O-N 2.88Å; V278-G363 CarbonylContact C-O 3.58Å; V278-G363 WeakPolarHBondContact CA-O 3.48Å; L279-G363 PolarHBondContact N-O 2.97Å; G363-P382 CarbonylContact C-O 3.5Å; G363-P382 VanDerWaalsContact CA-O 3.28Å; G363-P382 WeakPolarHBondContact CA-O 3.49Å
364F98.8Very high97.2Very high0 Ų014 Ų140%08%0.084CC..EExtended strand (participates in β ladder)trans-139.1114.1-177.9179.2-152.2000112.4L279 C281 L356 T366 A376 V381 P382 M383 V384L279-F364 HydrophobicContact CB-CD2 3.99Å; L279-F364 HydrophobicContact CD2-CD2 3.77Å; L279-F364 HydrophobicContact CD2-CE2 3.8Å; L279-F364 HydrophobicContact CD2-CG 4.47Å; L279-F364 HydrophobicContact CD2-CZ 4.47Å; L279-F364 HydrophobicContact CG-CD2 3.75Å; L279-F364 HydrophobicContact CG-CE2 3.95Å; L279-F364 CarbonylContact O-C 3.59Å; L279-F364 WeakPolarHBondContact O-CA 3.17Å; C281-F364 HydrophobicContact CB-CE2 3.85Å; C281-F364 HydrophobicContact CB-CZ 4.39Å; L356-F364 HydrophobicContact CD1-CD1 4.48Å; L356-F364 HydrophobicContact CD1-CE1 4.27Å; L356-F364 HydrophobicContact CD2-CB 4.13Å; L356-F364 HydrophobicContact CD2-CD1 3.97Å; L356-F364 HydrophobicContact CD2-CE1 4.46Å; L356-F364 HydrophobicContact CD2-CG 4.01Å; F364-T366 HydrophobicContact CD1-CG2 4.25Å; F364-T366 VanDerWaalsContact CE1-CB 3.46Å; F364-T366 HydrophobicContact CE1-CG2 4.28Å; F364-T366 WeakPolarHBondContact CE1-OG1 3.31Å; F364-T366 VanDerWaalsContact CZ-CB 3.5Å; F364-T366 WeakPolarHBondContact CZ-OG1 3.44Å; F364-A376 HydrophobicContact CD1-CB 3.83Å; F364-A376 HydrophobicContact CE1-CB 4.4Å; F364-V381 HydrophobicContact CB-CG1 3.8Å; F364-P382 PolarHBondContact N-O 2.93Å; F364-M383 HydrophobicContact CB-CG 4.18Å; F364-M383 HydrophobicContact CD1-CG 4.18Å; F364-M383 HydrophobicContact CD1-SD 4.48Å; F364-M383 CarbonylContact O-C 3.58Å; F364-M383 WeakPolarHBondContact O-CA 3.39Å; F364-V384 PolarHBondContact O-N 2.66Å
365V98.8Very high97.3Very high0 Ų014.6 Ų14.60%08%0.084CC..EExtended strand (participates in β ladder)trans-83.1114.6165.5-168.90000108.1V278 L279 L280 C281 F282 V384 W386 L422 V426V278-V365 HydrophobicContact CG1-CG2 3.77Å; L279-V365 PolarHBondContact O-N 3.04Å; L280-V365 HydrophobicContact CB-CB 4.41Å; L280-V365 HydrophobicContact CD1-CG2 4.42Å; L280-V365 HydrophobicContact CD2-CB 3.97Å; L280-V365 HydrophobicContact CD2-CG1 4.29Å; L280-V365 HydrophobicContact CD2-CG2 3.9Å; L280-V365 HydrophobicContact CG-CB 3.76Å; L280-V365 HydrophobicContact CG-CG2 3.72Å; C281-V365 PolarHBondContact N-O 2.79Å; F282-V365 HydrophobicContact CE1-CG1 4.22Å; F282-V365 HydrophobicContact CZ-CG1 4.12Å; V365-V384 WeakPolarHBondContact CA-O 3.48Å; V365-V384 HydrophobicContact CB-CB 4.4Å; V365-V384 HydrophobicContact CG1-CB 4.25Å; V365-V384 HydrophobicContact CG1-CG1 4.38Å; V365-V384 HydrophobicContact CG2-CB 4.09Å; V365-V384 HydrophobicContact CG2-CG2 4.38Å; V365-W386 HydrophobicContact CG1-CB 4.38Å; V365-W386 HydrophobicContact CG1-CE3 3.95Å; V365-L422 HydrophobicContact CG1-CD1 4.36Å; V365-V426 HydrophobicContact CG2-CG2 4.01Å
366T98.5Very high97.4Very high0 Ų014.6 Ų14.60%08%0.084CC..EExtended strand (participates in β ladder)trans-128146.3-170.3-177.10000111.9F364 C368 M383 V384 W386 M399F364-T366 HydrophobicContact CD1-CG2 4.25Å; F364-T366 VanDerWaalsContact CE1-CB 3.46Å; F364-T366 HydrophobicContact CE1-CG2 4.28Å; F364-T366 WeakPolarHBondContact CE1-OG1 3.31Å; F364-T366 VanDerWaalsContact CZ-CB 3.5Å; F364-T366 WeakPolarHBondContact CZ-OG1 3.44Å; T366-C368 PolarHBondContact O-N 2.97Å; T366-C368 VanDerWaalsContact O-N 3.16Å; T366-C368 PolarHBondContact OG1-N 3Å; T366-M383 HydrophobicContact CG2-CB 4.29Å; T366-M383 HydrophobicContact CG2-CG 4.15Å; T366-M383 HydrophobicContact CG2-SD 3.95Å; T366-V384 PolarHBondContact N-O 2.98Å; T366-W386 PolarHBondContact O-N 2.87Å; T366-M399 HydrophobicContact CG2-CE 4.25Å
367H97.1Very high97.4Very high8 Ų814.4 Ų14.44%0.0378%0.083CC..  trans-65.5-0.7166.568.8-52.2000114.9F282 G283 G369 S372 W386 L388 Q392F282-H367 VanDerWaalsContact C-CG 3.45Å; F282-H367 HydrophobicContact CB-CB 4.16Å; F282-H367 HydrophobicContact CD1-CB 4.18Å; F282-H367 PolarHBondContact O-CD2 2.83Å; G283-H367 WeakPolarHBondContact CA-CE1 3.49Å; G283-H367 PolarHBondContact N-CE1 2.78Å; G283-H367 PolarHBondContact N-ND1 2.53Å; H367-G369 PolarHBondContact O-N 3.37Å; H367-S372 PolarHBondContact CE1-OG 3.05Å; H367-W386 VanDerWaalsContact CA-O 3.25Å; H367-W386 WeakPolarHBondContact CA-O 3.35Å; H367-L388 HydrophobicContact CB-CD1 4.07Å; H367-L388 HydrophobicContact CB-CG 4.18Å; H367-Q392 PolarHBondContact CD2-NE2 3.18Å; H367-Q392 VanDerWaalsContact CD2-NE2 3.3Å; H367-Q392 WeakPolarHBondContact O-CB 3.47Å; H367-Q392 WeakPolarHBondContact O-CG 3.4Å; H367-Q392 PolarHBondContact O-OE1 3.24Å
368C97.9Very high97.5Very high0 Ų012.5 Ų12.50%07%0.07CC..  trans64.518.9-179.9-42.90000114.6T366 W370 A385 Q392 N395 M399T366-C368 PolarHBondContact O-N 2.97Å; T366-C368 VanDerWaalsContact O-N 3.16Å; T366-C368 PolarHBondContact OG1-N 3Å; C368-W370 PolarHBondContact O-N 3.41Å; C368-A385 WeakPolarHBondContact SG-CA 3.47Å; C368-A385 WeakPolarHBondContact SG-CB 3.27Å; C368-Q392 HydrophobicContact CB-CB 4.15Å; C368-N395 HydrophobicContact CB-CB 4.07Å; C368-N395 WeakPolarHBondContact O-CB 3.33Å; C368-N395 PolarHBondContact O-ND2 3.09Å; C368-M399 HydrophobicContact CB-SD 3.98Å
369G95.8Very high97.5Very high11 Ų1114 Ų1411%0.1138%0.077CC..  trans-61.4132.5167.300000109.8H367 N371 S372 V373H367-G369 PolarHBondContact O-N 3.37Å; G369-N371 VanDerWaalsContact C-N 3.32Å; G369-N371 PolarHBondContact O-N 3.3Å; G369-S372 WeakPolarHBondContact O-CB 3.44Å; G369-S372 PolarHBondContact O-N 2.88Å; G369-V373 PolarHBondContact O-N 2.9Å; G369-V373 VanDerWaalsContact O-N 3.07Å
370W96.3Very high97.5Very high5 Ų59.9 Ų9.92%0.0196%0.058CC..Hα-helixtrans-57.5-40-166.3-169.2-114.9000114.3S150 G151 N224 I229 E230 C368 S372 V373 L374 M403S150-W370 VanDerWaalsContact C-CD1 3.4Å; S150-W370 VanDerWaalsContact CA-CD1 3.42Å; G151-W370 VanDerWaalsContact CA-CE2 3.44Å; N224-W370 PolarHBondContact O-NE1 3.3Å; I229-W370 HydrophobicContact CD1-CH2 4.28Å; E230-W370 HydrophobicContact CG-CH2 4.26Å; E230-W370 WeakPolarHBondContact OE2-CZ2 3.49Å; C368-W370 PolarHBondContact O-N 3.41Å; W370-S372 VanDerWaalsContact C-N 3.29Å; W370-S372 PolarHBondContact O-N 3.38Å; W370-V373 HydrophobicContact CE3-CB 4.24Å; W370-V373 HydrophobicContact CE3-CG1 4.27Å; W370-V373 HydrophobicContact CZ3-CG1 4.19Å; W370-V373 WeakPolarHBondContact O-CB 3.32Å; W370-V373 PolarHBondContact O-N 3.21Å; W370-V373 VanDerWaalsContact O-N 3.11Å; W370-L374 HydrophobicContact CZ2-CD2 4.07Å; W370-L374 WeakPolarHBondContact O-CG 3.36Å; W370-L374 PolarHBondContact O-N 2.85Å; W370-M403 HydrophobicContact CH2-CE 3.4Å; W370-M403 HydrophobicContact CZ3-CE 3.64Å
371N94.2Very high97.5Very high36 Ų369.9 Ų9.919%0.1936%0.058CC..Hα-helixtrans-56.3-43.3174.5-68.7-16.6000112.3G14 G369 L374 E375G14-N371 PolarHBondContact O-ND2 2.98Å; G369-N371 VanDerWaalsContact C-N 3.32Å; G369-N371 PolarHBondContact O-N 3.3Å; N371-L374 PolarHBondContact O-N 3.15Å; N371-E375 VanDerWaalsContact O-CG 3.29Å; N371-E375 WeakPolarHBondContact O-CG 3.42Å; N371-E375 PolarHBondContact O-N 2.94Å
372S95.8Very high97.5Very high10 Ų109.5 Ų9.57%0.076%0.056CC..Hα-helixtrans-71.5-31.2178.8-57.50000112.5Q352 H367 G369 W370 A376Q352-S372 VanDerWaalsContact NE2-CB 3.32Å; Q352-S372 PolarHBondContact NE2-OG 3.02Å; H367-S372 PolarHBondContact CE1-OG 3.05Å; G369-S372 WeakPolarHBondContact O-CB 3.44Å; G369-S372 PolarHBondContact O-N 2.88Å; W370-S372 VanDerWaalsContact C-N 3.29Å; W370-S372 PolarHBondContact O-N 3.38Å; S372-A376 WeakPolarHBondContact O-CB 3.49Å; S372-A376 PolarHBondContact O-N 3.22Å; S372-A376 VanDerWaalsContact O-N 3.12Å
373V97.5Very high97.5Very high0 Ų09.5 Ų9.50%06%0.056CC..Hα-helixtrans-64.3-48.2171.6176.80000109.9G369 W370 E375 A376 V377 M383 M399G369-V373 PolarHBondContact O-N 2.9Å; G369-V373 VanDerWaalsContact O-N 3.07Å; W370-V373 HydrophobicContact CE3-CB 4.24Å; W370-V373 HydrophobicContact CE3-CG1 4.27Å; W370-V373 HydrophobicContact CZ3-CG1 4.19Å; W370-V373 WeakPolarHBondContact O-CB 3.32Å; W370-V373 PolarHBondContact O-N 3.21Å; W370-V373 VanDerWaalsContact O-N 3.11Å; V373-E375 PolarHBondContact O-N 3.36Å; V373-A376 PolarHBondContact O-N 3.44Å; V373-V377 HydrophobicContact CG1-CG2 4.45Å; V373-V377 WeakPolarHBondContact O-CG2 3.45Å; V373-V377 PolarHBondContact O-N 2.99Å; V373-M383 HydrophobicContact CG1-CE 4.37Å; V373-M399 HydrophobicContact CG1-CG 4.28Å; V373-M399 HydrophobicContact CG1-SD 4.26Å; V373-M399 HydrophobicContact CG2-CE 4.03Å; V373-M399 HydrophobicContact CG2-SD 3.57Å; V373-M399 VanDerWaalsContact CG2-SD 3.57Å
374L97.2Very high97.5Very high0 Ų09.5 Ų9.50%06%0.056CC..Hα-helixtrans-62.7-42.9178.3-66.7-180000112.4N224 I229 P252 I254 W370 N371 A376 V377 C378N224-L374 HydrophobicContact CB-CD1 4.36Å; N224-L374 VanDerWaalsContact CG-CD1 3.49Å; N224-L374 WeakPolarHBondContact ND2-CD1 3.45Å; N224-L374 WeakPolarHBondContact O-CD1 3.4Å; I229-L374 HydrophobicContact CD1-CD2 4.25Å; P252-L374 HydrophobicContact CB-CD2 4.25Å; I254-L374 HydrophobicContact CG2-CB 3.65Å; W370-L374 HydrophobicContact CZ2-CD2 4.07Å; W370-L374 WeakPolarHBondContact O-CG 3.36Å; W370-L374 PolarHBondContact O-N 2.85Å; N371-L374 PolarHBondContact O-N 3.15Å; L374-A376 VanDerWaalsContact C-N 3.32Å; L374-A376 PolarHBondContact O-N 3.36Å; L374-V377 PolarHBondContact O-N 3.33Å; L374-C378 WeakPolarHBondContact O-CB 2.93Å; L374-C378 PolarHBondContact O-N 2.98Å; L374-C378 PolarHBondContact O-SG 3.22Å
375E96.7Very high97.5Very high27 Ų279.5 Ų9.513%0.1266%0.056CC..Hα-helixtrans-56.8-46.3174.7-73.3165.6-17800111.2I254 Q352 L356 N371 V373 C378 E379I254-E375 HydrophobicContact CB-CG 4.32Å; I254-E375 HydrophobicContact CG2-CG 4.21Å; Q352-E375 PolarHBondContact NE2-OE2 3.48Å; L356-E375 HydrophobicContact CD1-CB 3.68Å; N371-E375 VanDerWaalsContact O-CG 3.29Å; N371-E375 WeakPolarHBondContact O-CG 3.42Å; N371-E375 PolarHBondContact O-N 2.94Å; V373-E375 PolarHBondContact O-N 3.36Å; E375-C378 PolarHBondContact O-N 3.13Å; E375-E379 PolarHBondContact O-N 2.94Å
376A97.9Very high97.5Very high0 Ų09.6 Ų9.60%06%0.056CC..Hα-helixtrans-67.6-37.9178.700000113F364 S372 V373 L374 E379 G380 V381 M383F364-A376 HydrophobicContact CD1-CB 3.83Å; F364-A376 HydrophobicContact CE1-CB 4.4Å; S372-A376 WeakPolarHBondContact O-CB 3.49Å; S372-A376 PolarHBondContact O-N 3.22Å; S372-A376 VanDerWaalsContact O-N 3.12Å; V373-A376 PolarHBondContact O-N 3.44Å; L374-A376 VanDerWaalsContact C-N 3.32Å; L374-A376 PolarHBondContact O-N 3.36Å; A376-E379 CarbonylContact O-C 3.53Å; A376-E379 PolarHBondContact O-N 3.39Å; A376-G380 PolarHBondContact O-N 3.09Å; A376-V381 HydrophobicContact CB-CB 4.49Å; A376-V381 PolarHBondContact O-N 2.87Å; A376-M383 HydrophobicContact CB-CE 4.16Å; A376-M383 HydrophobicContact CB-CG 4.1Å; A376-M383 HydrophobicContact CB-SD 3.65Å
377V97.7Very high97.3Very high0 Ų09.7 Ų9.70%06%0.056CC..Hα-helixtrans-64.1-47.5174.5165.50000111.1F226 I229 V373 L374 E379 G380 M383 I442 M445 K446F226-V377 HydrophobicContact CE1-CG1 4.31Å; F226-V377 HydrophobicContact CZ-CG1 3.97Å; I229-V377 HydrophobicContact CD1-CG1 4.3Å; I229-V377 HydrophobicContact CD1-CG2 3.95Å; V373-V377 HydrophobicContact CG1-CG2 4.45Å; V373-V377 WeakPolarHBondContact O-CG2 3.45Å; V373-V377 PolarHBondContact O-N 2.99Å; L374-V377 PolarHBondContact O-N 3.33Å; V377-E379 PolarHBondContact O-N 3.46Å; V377-G380 PolarHBondContact O-N 3Å; V377-G380 VanDerWaalsContact O-N 3.12Å; V377-M383 HydrophobicContact CG2-CE 4.38Å; V377-I442 HydrophobicContact CG2-CD1 4.39Å; V377-I442 HydrophobicContact CG2-CG1 4.43Å; V377-M445 HydrophobicContact CG1-CB 4.09Å; V377-M445 HydrophobicContact CG1-CG 3.6Å; V377-K446 WeakPolarHBondContact O-CA 3.39Å; V377-K446 WeakPolarHBondContact O-CB 3.49Å
378C97.1Very high97.2Very high21 Ų2111.2 Ų11.214%0.1427%0.065CC..Hα-helixtrans-61.5-27.8177-72.80000112.2P252 I254 L374 E375 K446P252-C378 VanDerWaalsContact CB-SG 3.58Å; P252-C378 WeakPolarHBondContact CG-SG 3.38Å; I254-C378 HydrophobicContact CD1-CB 3.7Å; L374-C378 WeakPolarHBondContact O-CB 2.93Å; L374-C378 PolarHBondContact O-N 2.98Å; L374-C378 PolarHBondContact O-SG 3.22Å; E375-C378 PolarHBondContact O-N 3.13Å; C378-K446 WeakPolarHBondContact O-CD 3.43Å; C378-K446 WeakPolarHBondContact O-CE 3.42Å; C378-K446 VanDerWaalsContact O-CG 3.27Å; C378-K446 WeakPolarHBondContact O-CG 3.28Å
379E97.4Very high96.9Very high62 Ų6213.1 Ų13.129%0.297%0.072SC..Hα-helixtrans-94.4-9.8175.9-63.6-54.5160.400115.1L356 E375 A376 V377 V381 K446L356-E379 HydrophobicContact CB-CB 4.38Å; L356-E379 HydrophobicContact CB-CG 4.19Å; L356-E379 WeakPolarHBondContact O-CB 3.49Å; E375-E379 PolarHBondContact O-N 2.94Å; A376-E379 CarbonylContact O-C 3.53Å; A376-E379 PolarHBondContact O-N 3.39Å; V377-E379 PolarHBondContact O-N 3.46Å; E379-V381 VanDerWaalsContact C-N 3.34Å; E379-V381 HydrophobicContact CB-CG2 3.96Å; E379-K446 PolarHBondContact O-NZ 2.98Å; E379-K446 IonicContact OE2-NZ 2.82Å; E379-K446 PolarHBondContact OE2-NZ 3.41Å
380G97.9Very high96.7Very high14 Ų1413.9 Ų13.914%0.1448%0.078CC..THydrogen-bonded Turntrans72.829-179.900000112.6A376 V377 I442A376-G380 PolarHBondContact O-N 3.09Å; V377-G380 PolarHBondContact O-N 3Å; V377-G380 VanDerWaalsContact O-N 3.12Å; G380-I442 WeakPolarHBondContact O-CG2 3.18Å
381V98.6Very high96.6Very high6 Ų615.7 Ų15.74%0.0369%0.086CC..  trans-94.4112.6-177.3179.30000110.6L356 V361 F364 A376 E379 I442L356-V381 HydrophobicContact CD2-CB 4.23Å; L356-V381 HydrophobicContact CD2-CG1 4.09Å; L356-V381 HydrophobicContact CD2-CG2 4.21Å; V361-V381 HydrophobicContact CG1-CG1 3.85Å; V361-V381 HydrophobicContact CG1-CG2 4.23Å; F364-V381 HydrophobicContact CB-CG1 3.8Å; A376-V381 HydrophobicContact CB-CB 4.49Å; A376-V381 PolarHBondContact O-N 2.87Å; E379-V381 VanDerWaalsContact C-N 3.34Å; E379-V381 HydrophobicContact CB-CG2 3.96Å; V381-I442 VanDerWaalsContact C-CD1 3.48Å; V381-I442 WeakPolarHBondContact O-CD1 3.39Å
382P98.5Very high96.7Very high0 Ų014.1 Ų14.10%08%0.078CC..  trans-67.1152.2-177.533.4-39.1000111.4G362 G363 F364 L429 I438 I442G362-P382 WeakPolarHBondContact O-CD 3.45Å; G362-P382 WeakPolarHBondContact O-CG 3.44Å; G363-P382 CarbonylContact C-O 3.5Å; G363-P382 VanDerWaalsContact CA-O 3.28Å; G363-P382 WeakPolarHBondContact CA-O 3.49Å; F364-P382 PolarHBondContact N-O 2.93Å; P382-L429 HydrophobicContact CB-CD1 3.98Å; P382-L429 HydrophobicContact CB-CG 4.48Å; P382-L429 HydrophobicContact CG-CD1 4.48Å; P382-L429 HydrophobicContact CG-CG 4.48Å; P382-I438 HydrophobicContact CB-CG2 3.54Å; P382-I442 HydrophobicContact CB-CG2 4.34Å
383M98.8Very high96.7Very high0 Ų014.8 Ų14.80%08%0.079CC..EExtended strand (participates in β ladder)trans-119.9151.2-166-71.6171.3-79.900115.1F364 T366 V373 A376 V377 M399 V405 A406 L407 I442F364-M383 HydrophobicContact CB-CG 4.18Å; F364-M383 HydrophobicContact CD1-CG 4.18Å; F364-M383 HydrophobicContact CD1-SD 4.48Å; F364-M383 CarbonylContact O-C 3.58Å; F364-M383 WeakPolarHBondContact O-CA 3.39Å; T366-M383 HydrophobicContact CG2-CB 4.29Å; T366-M383 HydrophobicContact CG2-CG 4.15Å; T366-M383 HydrophobicContact CG2-SD 3.95Å; V373-M383 HydrophobicContact CG1-CE 4.37Å; A376-M383 HydrophobicContact CB-CE 4.16Å; A376-M383 HydrophobicContact CB-CG 4.1Å; A376-M383 HydrophobicContact CB-SD 3.65Å; V377-M383 HydrophobicContact CG2-CE 4.38Å; M383-M399 HydrophobicContact CB-CE 4.08Å; M383-M399 HydrophobicContact CE-CE 3.79Å; M383-M399 HydrophobicContact CG-CE 4.42Å; M383-M399 HydrophobicContact SD-CE 3.46Å; M383-M399 WeakPolarHBondContact SD-CE 3.33Å; M383-V405 HydrophobicContact CE-CB 4.4Å; M383-V405 HydrophobicContact CE-CG2 3.78Å; M383-V405 PolarHBondContact N-O 3.45Å; M383-A406 HydrophobicContact CB-CB 3.95Å; M383-A406 CarbonylContact O-C 3.56Å; M383-A406 WeakPolarHBondContact O-CA 3.38Å; M383-L407 PolarHBondContact O-N 3.17Å; M383-I442 HydrophobicContact CE-CD1 3.95Å
384V98.8Very high96.6Very high0 Ų014.9 Ų14.90%08%0.08CC..EExtended strand (participates in β ladder)trans-107.1117.9155.2-178.20000107.6F364 V365 T366 L407 V409 R425 L429F364-V384 PolarHBondContact O-N 2.66Å; V365-V384 WeakPolarHBondContact CA-O 3.48Å; V365-V384 HydrophobicContact CB-CB 4.4Å; V365-V384 HydrophobicContact CG1-CB 4.25Å; V365-V384 HydrophobicContact CG1-CG1 4.38Å; V365-V384 HydrophobicContact CG2-CB 4.09Å; V365-V384 HydrophobicContact CG2-CG2 4.38Å; T366-V384 PolarHBondContact N-O 2.98Å; V384-L407 CarbonylContact C-O 3.47Å; V384-L407 WeakPolarHBondContact CA-O 3.49Å; V384-V409 HydrophobicContact CG1-CG1 3.53Å; V384-R425 HydrophobicContact CG1-CB 3.96Å; V384-R425 HydrophobicContact CG2-CB 4.36Å; V384-L429 HydrophobicContact CG2-CB 4.16Å; V384-L429 HydrophobicContact CG2-CD2 3.75Å; V384-L429 HydrophobicContact CG2-CG 4.44Å
385A98.7Very high96.6Very high0 Ų014.9 Ų14.90%08%0.08CC..EExtended strand (participates in β ladder)trans-87.2115.6-176.500000110.7C368 R396 M399 A406 L407 V409C368-A385 WeakPolarHBondContact SG-CA 3.47Å; C368-A385 WeakPolarHBondContact SG-CB 3.27Å; A385-R396 HydrophobicContact CB-CB 4.14Å; A385-R396 HydrophobicContact CB-CG 3.76Å; A385-M399 HydrophobicContact CB-CE 4.2Å; A385-A406 HydrophobicContact CB-CB 4.14Å; A385-L407 PolarHBondContact N-O 3.4Å; A385-V409 PolarHBondContact O-N 3.25Å; A385-V409 VanDerWaalsContact O-N 3.11Å
386W98.1Very high96.6Very high2 Ų215 Ų151%0.0088%0.079CC..  trans-132.578.2-179.3-172.3-13.1000111.2F282 F288 Q292 I296 V365 T366 H367 V409 V417 L422F282-W386 HydrophobicContact CE1-CB 4.28Å; F282-W386 HydrophobicContact CE1-CD2 4.03Å; F282-W386 AromaticContact CE1-CE3 3.9Å; F282-W386 HydrophobicContact CE1-CE3 3.9Å; F282-W386 HydrophobicContact CE1-CG 4.21Å; F282-W386 HydrophobicContact CZ-CE3 4Å; F282-W386 HydrophobicContact CZ-CZ3 4.3Å; F288-W386 HydrophobicContact CE1-CZ2 4.05Å; Q292-W386 HydrophobicContact CG-CZ2 4.37Å; I296-W386 HydrophobicContact CD1-CH2 3.93Å; I296-W386 HydrophobicContact CD1-CZ3 4.36Å; I296-W386 HydrophobicContact CG1-CH2 3.59Å; I296-W386 HydrophobicContact CG1-CZ3 3.98Å; V365-W386 HydrophobicContact CG1-CB 4.38Å; V365-W386 HydrophobicContact CG1-CE3 3.95Å; T366-W386 PolarHBondContact O-N 2.87Å; H367-W386 VanDerWaalsContact CA-O 3.25Å; H367-W386 WeakPolarHBondContact CA-O 3.35Å; W386-V409 HydrophobicContact CB-CG1 4.06Å; W386-V409 HydrophobicContact CB-CG2 3.78Å; W386-V409 HydrophobicContact CD2-CG1 4.27Å; W386-V409 HydrophobicContact CD2-CG2 4.13Å; W386-V409 HydrophobicContact CE3-CG1 4.22Å; W386-V409 HydrophobicContact CG-CG1 4.25Å; W386-V409 HydrophobicContact CG-CG2 3.62Å; W386-V417 HydrophobicContact CD2-CG2 4.3Å; W386-V417 VanDerWaalsContact CE2-CG2 3.46Å; W386-V417 HydrophobicContact CH2-CB 3.71Å; W386-V417 HydrophobicContact CH2-CG1 4.01Å; W386-V417 HydrophobicContact CH2-CG2 4.14Å; W386-V417 HydrophobicContact CZ2-CB 3.38Å; W386-V417 HydrophobicContact CZ2-CG1 4.1Å; W386-V417 HydrophobicContact CZ2-CG2 3.38Å; W386-V417 HydrophobicContact CZ3-CG1 4.47Å; W386-L422 HydrophobicContact CE3-CD1 4Å; W386-L422 HydrophobicContact CH2-CD2 4.46Å; W386-L422 HydrophobicContact CZ3-CD1 3.64Å; W386-L422 HydrophobicContact CZ3-CD2 3.87Å; W386-L422 HydrophobicContact CZ3-CG 4.2Å
387P96.1Very high96.5Very high1 Ų115.2 Ų15.21%0.0068%0.08CC..  trans-67.7150.6-175.232.5-37.8000112.9Q392 K393 R396P387-Q392 VanDerWaalsContact CB-C 3.44Å; P387-Q392 HydrophobicContact CB-CB 3.49Å; P387-Q392 VanDerWaalsContact CB-CB 3.49Å; P387-K393 HydrophobicContact CB-CG 3.84Å; P387-K393 HydrophobicContact CG-CG 3.72Å; P387-R396 HydrophobicContact CG-CB 4.26Å
388L93.8Very high96.4Very high41 Ų4115.2 Ų15.222%0.2158%0.08CC..  trans-125.6-46.8-178-57.3179.7000113.1F282 F288 H367F282-L388 HydrophobicContact CB-CD1 3.93Å; F282-L388 HydrophobicContact CD1-CD1 4.12Å; F282-L388 HydrophobicContact CG-CD1 4.38Å; F288-L388 HydrophobicContact CE1-CD1 4.32Å; F288-L388 HydrophobicContact CE1-CD2 3.56Å; F288-L388 HydrophobicContact CE2-CD1 4.4Å; F288-L388 HydrophobicContact CZ-CD1 3.86Å; F288-L388 HydrophobicContact CZ-CD2 3.77Å; F288-L388 HydrophobicContact CZ-CG 4.43Å; H367-L388 HydrophobicContact CB-CD1 4.07Å; H367-L388 HydrophobicContact CB-CG 4.18Å
389Y91.6Very high96.5Very high40 Ų4014.2 Ų14.216%0.1577%0.073CC..SBendtrans-149.5177-172.558.5-94.4000112.4H91 M285 Q392H91-Y389 HydrophobicContact CB-CD2 4.22Å; M285-Y389 HydrophobicContact CB-CE1 4.05Å; Y389-Q392 WeakPolarHBondContact O-CB 3.37Å; Y389-Q392 WeakPolarHBondContact O-CG 3.38Å; Y389-Q392 PolarHBondContact O-N 3.13Å; Y389-Q392 PolarHBondContact O-NE2 3.19Å; Y389-Q392 PolarHBondContact O-OE1 3.15Å
390A92.4Very high96.5Very high27 Ų2713.7 Ų13.722%0.2237%0.074CC..THydrogen-bonded Turntrans51-141.317900000112.8P194 Q392P194-A390 WeakPolarHBondContact CB-O 3.36Å; A390-Q392 PolarHBondContact O-N 3.18Å
391E93.9Very high96.3Very high43 Ų4317.5 Ų17.520%0.2019%0.087CC..THydrogen-bonded Turntrans-828.7-177.985.8-64.3174.100113.9S150 P154 K393 M394 N395S150-E391 PolarHBondContact OG-OE1 2.96Å; P154-E391 HydrophobicContact CB-CB 4.33Å; P154-E391 HydrophobicContact CB-CG 4.01Å; P154-E391 HydrophobicContact CG-CG 4.29Å; E391-K393 PolarHBondContact O-N 2.94Å; E391-K393 VanDerWaalsContact O-N 3.12Å; E391-M394 WeakPolarHBondContact O-CA 3.49Å; E391-M394 WeakPolarHBondContact O-CB 3.43Å; E391-M394 PolarHBondContact O-N 3.11Å; E391-N395 PolarHBondContact O-N 3.43Å; E391-N395 PolarHBondContact OE1-ND2 3.44Å; E391-N395 VanDerWaalsContact OE1-ND2 3.1Å
392Q96.2Very high96.1Very high3 Ų318.9 Ų18.91%0.0149%0.093CC..Hα-helixtrans-60.4-30.7-171.8-69164.910.500113.7H367 C368 P387 Y389 A390 M394 N395 R396H367-Q392 PolarHBondContact CD2-NE2 3.18Å; H367-Q392 VanDerWaalsContact CD2-NE2 3.3Å; H367-Q392 WeakPolarHBondContact O-CB 3.47Å; H367-Q392 WeakPolarHBondContact O-CG 3.4Å; H367-Q392 PolarHBondContact O-OE1 3.24Å; C368-Q392 HydrophobicContact CB-CB 4.15Å; P387-Q392 VanDerWaalsContact CB-C 3.44Å; P387-Q392 HydrophobicContact CB-CB 3.49Å; P387-Q392 VanDerWaalsContact CB-CB 3.49Å; Y389-Q392 WeakPolarHBondContact O-CB 3.37Å; Y389-Q392 WeakPolarHBondContact O-CG 3.38Å; Y389-Q392 PolarHBondContact O-N 3.13Å; Y389-Q392 PolarHBondContact O-NE2 3.19Å; Y389-Q392 PolarHBondContact O-OE1 3.15Å; A390-Q392 PolarHBondContact O-N 3.18Å; Q392-M394 VanDerWaalsContact C-N 3.33Å; Q392-N395 PolarHBondContact O-N 3.44Å; Q392-R396 WeakPolarHBondContact O-CB 3.35Å; Q392-R396 PolarHBondContact O-N 3.24Å
393K95.6Very high96Very high24 Ų2419.2 Ų19.210%0.1049%0.094CC..Hα-helixtrans-66-37.1174-72.5-178.9170.1-170.80112.1D192 F193 N195 P387 E391 M397D192-K393 CarbonylContact O-C 3.56Å; F193-K393 WeakPolarHBondContact O-CD 3.32Å; N195-K393 PolarHBondContact OD1-NZ 2.98Å; P387-K393 HydrophobicContact CB-CG 3.84Å; P387-K393 HydrophobicContact CG-CG 3.72Å; E391-K393 PolarHBondContact O-N 2.94Å; E391-K393 VanDerWaalsContact O-N 3.12Å; K393-M397 PolarHBondContact O-N 3.2Å; K393-M397 VanDerWaalsContact O-N 3.08Å
394M95.1Very high95.9Very high1 Ų124.3 Ų24.31%0.00512%0.117CC..Hα-helixtrans-66.2-46.7172-172.264.4176.900110.2P154 L157 L185 I188 D192 E391 Q392 R396 M397 V398P154-M394 HydrophobicContact CB-CG 4.1Å; L157-M394 HydrophobicContact CB-CE 4.17Å; L157-M394 HydrophobicContact CD2-CE 4.41Å; L157-M394 HydrophobicContact CD2-CG 4.48Å; L157-M394 HydrophobicContact CD2-SD 4.16Å; L185-M394 HydrophobicContact CD1-CE 3.62Å; L185-M394 HydrophobicContact CD2-CE 4.49Å; I188-M394 HydrophobicContact CD1-CE 3.68Å; I188-M394 HydrophobicContact CD1-SD 4.22Å; I188-M394 HydrophobicContact CG1-CE 4.31Å; D192-M394 PolarHBondContact O-N 2.9Å; D192-M394 VanDerWaalsContact O-N 3.16Å; E391-M394 WeakPolarHBondContact O-CA 3.49Å; E391-M394 WeakPolarHBondContact O-CB 3.43Å; E391-M394 PolarHBondContact O-N 3.11Å; Q392-M394 VanDerWaalsContact C-N 3.33Å; M394-R396 PolarHBondContact O-N 3.01Å; M394-M397 HydrophobicContact CE-CE 3.62Å; M394-M397 WeakPolarHBondContact O-CB 3.49Å; M394-M397 PolarHBondContact O-N 2.74Å; M394-M397 VanDerWaalsContact O-N 3.08Å; M394-M397 HydrophobicContact SD-CE 3.54Å; M394-M397 VanDerWaalsContact SD-CE 3.54Å; M394-V398 WeakPolarHBondContact O-CG2 3.45Å; M394-V398 PolarHBondContact O-N 3.12Å
395N97.1Very high95.8Very high0 Ų024.3 Ų24.30%012%0.117CC..Hα-helixtrans-59-45.8176.8-64-13000111.3C368 E391 Q392 M397 V398 M399C368-N395 HydrophobicContact CB-CB 4.07Å; C368-N395 WeakPolarHBondContact O-CB 3.33Å; C368-N395 PolarHBondContact O-ND2 3.09Å; E391-N395 PolarHBondContact O-N 3.43Å; E391-N395 PolarHBondContact OE1-ND2 3.44Å; E391-N395 VanDerWaalsContact OE1-ND2 3.1Å; Q392-N395 PolarHBondContact O-N 3.44Å; N395-M397 VanDerWaalsContact C-N 3.3Å; N395-M397 PolarHBondContact O-N 3.48Å; N395-V398 PolarHBondContact O-N 3.2Å; N395-M399 HydrophobicContact CB-SD 4.48Å; N395-M399 WeakPolarHBondContact O-CB 3.35Å; N395-M399 WeakPolarHBondContact O-CG 3.44Å; N395-M399 PolarHBondContact O-N 3Å
396R97.5Very high95.8Very high30 Ų3024.6 Ų24.611%0.11312%0.119CC..Hα-helixtrans-52.8-48.7173173.5-161.966.9-161.3-0.5111.1D191 D192 A385 P387 Q392 M394 V398 M399 V400 A408 E411D191-R396 PolarHBondContact O-NH2 2.97Å; D192-R396 IonicContact OD1-NH2 2.8Å; D192-R396 PolarHBondContact OD1-NH2 3.03Å; A385-R396 HydrophobicContact CB-CB 4.14Å; A385-R396 HydrophobicContact CB-CG 3.76Å; P387-R396 HydrophobicContact CG-CB 4.26Å; Q392-R396 WeakPolarHBondContact O-CB 3.35Å; Q392-R396 PolarHBondContact O-N 3.24Å; M394-R396 PolarHBondContact O-N 3.01Å; R396-V398 VanDerWaalsContact C-N 3.35Å; R396-V398 PolarHBondContact O-N 3.19Å; R396-M399 PolarHBondContact O-N 3.46Å; R396-V400 HydrophobicContact CG-CG2 4.45Å; R396-V400 WeakPolarHBondContact O-CB 3.29Å; R396-V400 VanDerWaalsContact O-CG2 3.26Å; R396-V400 WeakPolarHBondContact O-CG2 3.26Å; R396-V400 PolarHBondContact O-N 3.46Å; R396-A408 HydrophobicContact CG-CB 4.13Å; R396-E411 IonicContact NH1-OE1 3.51Å; R396-E411 PolarHBondContact NH1-OE1 3.03Å
397M96Very high95.8Very high4 Ų424.6 Ų24.62%0.0212%0.119CC..Hα-helixtrans-57.5-49-179.1-177.6-78.9-71.200111P186 I188 D192 K393 M394 N395 V400 K401P186-M397 HydrophobicContact CB-SD 3.76Å; P186-M397 HydrophobicContact CG-SD 3.69Å; I188-M397 HydrophobicContact CG1-CE 4.22Å; D192-M397 HydrophobicContact CB-CB 4.32Å; D192-M397 HydrophobicContact CB-CG 4.39Å; D192-M397 WeakPolarHBondContact OD2-CG 3.31Å; K393-M397 PolarHBondContact O-N 3.2Å; K393-M397 VanDerWaalsContact O-N 3.08Å; M394-M397 HydrophobicContact CE-CE 3.62Å; M394-M397 WeakPolarHBondContact O-CB 3.49Å; M394-M397 PolarHBondContact O-N 2.74Å; M394-M397 VanDerWaalsContact O-N 3.08Å; M394-M397 HydrophobicContact SD-CE 3.54Å; M394-M397 VanDerWaalsContact SD-CE 3.54Å; N395-M397 VanDerWaalsContact C-N 3.3Å; N395-M397 PolarHBondContact O-N 3.48Å; M397-V400 PolarHBondContact O-N 3.15Å; M397-K401 HydrophobicContact CG-CD 3.8Å; M397-K401 HydrophobicContact CG-CG 4.47Å; M397-K401 VanDerWaalsContact O-CB 3.31Å; M397-K401 WeakPolarHBondContact O-CB 3.45Å; M397-K401 WeakPolarHBondContact O-CG 3.29Å; M397-K401 PolarHBondContact O-N 2.97Å; M397-K401 HydrophobicContact SD-CB 4.4Å; M397-K401 HydrophobicContact SD-CD 3.81Å; M397-K401 HydrophobicContact SD-CG 4.45Å
398V96Very high95.9Very high1 Ų126 Ų261%0.00613%0.131CC..Hα-helixtrans-64.3-46.7179177.80000111S153 M394 N395 R396 V400 E402 M403S153-V398 VanDerWaalsContact CB-CG2 3.46Å; M394-V398 WeakPolarHBondContact O-CG2 3.45Å; M394-V398 PolarHBondContact O-N 3.12Å; N395-V398 PolarHBondContact O-N 3.2Å; R396-V398 VanDerWaalsContact C-N 3.35Å; R396-V398 PolarHBondContact O-N 3.19Å; V398-V400 PolarHBondContact O-N 3.42Å; V398-E402 HydrophobicContact CG1-CB 4.26Å; V398-E402 WeakPolarHBondContact O-CA 3.29Å; V398-E402 WeakPolarHBondContact O-CB 3.13Å; V398-E402 PolarHBondContact O-N 3.13Å; V398-M403 HydrophobicContact CG1-CE 3.54Å; V398-M403 HydrophobicContact CG1-CG 4.15Å; V398-M403 HydrophobicContact CG1-SD 4.3Å; V398-M403 PolarHBondContact O-N 2.86Å
399M97.6Very high96.1Very high0 Ų024.3 Ų24.30%012%0.122CC..Hα-helixtrans-56.8-37.3178.3-71.2165.268.600112.9T366 C368 V373 M383 A385 N395 R396 M403 K404 V405 A406T366-M399 HydrophobicContact CG2-CE 4.25Å; C368-M399 HydrophobicContact CB-SD 3.98Å; V373-M399 HydrophobicContact CG1-CG 4.28Å; V373-M399 HydrophobicContact CG1-SD 4.26Å; V373-M399 HydrophobicContact CG2-CE 4.03Å; V373-M399 HydrophobicContact CG2-SD 3.57Å; V373-M399 VanDerWaalsContact CG2-SD 3.57Å; M383-M399 HydrophobicContact CB-CE 4.08Å; M383-M399 HydrophobicContact CE-CE 3.79Å; M383-M399 HydrophobicContact CG-CE 4.42Å; M383-M399 HydrophobicContact SD-CE 3.46Å; M383-M399 WeakPolarHBondContact SD-CE 3.33Å; A385-M399 HydrophobicContact CB-CE 4.2Å; N395-M399 HydrophobicContact CB-SD 4.48Å; N395-M399 WeakPolarHBondContact O-CB 3.35Å; N395-M399 WeakPolarHBondContact O-CG 3.44Å; N395-M399 PolarHBondContact O-N 3Å; R396-M399 PolarHBondContact O-N 3.46Å; M399-M403 HydrophobicContact CB-SD 4.43Å; M399-M403 HydrophobicContact CG-SD 3.97Å; M399-K404 CarbonylContact O-C 3.5Å; M399-K404 VanDerWaalsContact O-CA 3.3Å; M399-K404 WeakPolarHBondContact O-CA 3.33Å; M399-K404 PolarHBondContact O-N 3.02Å; M399-V405 HydrophobicContact CB-CG2 4.47Å; M399-V405 PolarHBondContact O-N 3.13Å; M399-A406 HydrophobicContact CB-CB 4.06Å; M399-A406 HydrophobicContact CE-CB 3.88Å
400V97.3Very high96.3Very high51 Ų5129 Ų2931%0.30914%0.143SC..Hα-helixtrans-88.7-46.3-176.3174.30000112.1R396 M397 V398 K404 A406 A408R396-V400 HydrophobicContact CG-CG2 4.45Å; R396-V400 WeakPolarHBondContact O-CB 3.29Å; R396-V400 VanDerWaalsContact O-CG2 3.26Å; R396-V400 WeakPolarHBondContact O-CG2 3.26Å; R396-V400 PolarHBondContact O-N 3.46Å; M397-V400 PolarHBondContact O-N 3.15Å; V398-V400 PolarHBondContact O-N 3.42Å; V400-K404 WeakPolarHBondContact O-CG 3.44Å; V400-A406 HydrophobicContact CG2-CB 4.27Å; V400-A408 HydrophobicContact CG2-CB 4.03Å
401K95.4Very high96.3Very high94 Ų9430.2 Ų30.241%0.40914%0.144SC..Hα-helixtrans-85.9-40-171.7-64-176.3-171.8160.90112.6P186 T187 D192 M397 K404P186-K401 HydrophobicContact CB-CB 4.31Å; P186-K401 HydrophobicContact CB-CD 3.91Å; P186-K401 HydrophobicContact CG-CB 3.99Å; P186-K401 HydrophobicContact CG-CD 4.45Å; T187-K401 PolarHBondContact O-NZ 3.36Å; D192-K401 IonicContact OD2-NZ 3.4Å; D192-K401 PolarHBondContact OD2-NZ 3.07Å; M397-K401 HydrophobicContact CG-CD 3.8Å; M397-K401 HydrophobicContact CG-CG 4.47Å; M397-K401 VanDerWaalsContact O-CB 3.31Å; M397-K401 WeakPolarHBondContact O-CB 3.45Å; M397-K401 WeakPolarHBondContact O-CG 3.29Å; M397-K401 PolarHBondContact O-N 2.97Å; M397-K401 HydrophobicContact SD-CB 4.4Å; M397-K401 HydrophobicContact SD-CD 3.81Å; M397-K401 HydrophobicContact SD-CG 4.45Å; K401-K404 WeakPolarHBondContact O-CE 3.49Å
402E93.8Very high96.2Very high35 Ų3532.7 Ų32.716%0.16416%0.159CC..THydrogen-bonded Turntrans-101-63.9-171.8-172.2178.4169.900111.1P186 V398 K404P186-E402 HydrophobicContact CG-CB 4.44Å; V398-E402 HydrophobicContact CG1-CB 4.26Å; V398-E402 WeakPolarHBondContact O-CA 3.29Å; V398-E402 WeakPolarHBondContact O-CB 3.13Å; V398-E402 PolarHBondContact O-N 3.13Å; E402-K404 VanDerWaalsContact C-N 3.29Å; E402-K404 PolarHBondContact O-N 3.34Å
403M95.4Very high95.6Very high6 Ų643.3 Ų43.33%0.0321%0.205CC..SBendtrans-66.5-33.2-180-58172.9-177.700111.9I229 E230 W370 V398 M399 V405 R441I229-M403 HydrophobicContact CD1-CE 3.86Å; I229-M403 HydrophobicContact CD1-SD 4.16Å; I229-M403 HydrophobicContact CG1-CE 3.6Å; I229-M403 HydrophobicContact CG1-CG 4.19Å; I229-M403 HydrophobicContact CG1-SD 3.86Å; I229-M403 WeakPolarHBondContact O-CG 3.48Å; E230-M403 HydrophobicContact CG-CE 3.92Å; W370-M403 HydrophobicContact CH2-CE 3.4Å; W370-M403 HydrophobicContact CZ3-CE 3.64Å; V398-M403 HydrophobicContact CG1-CE 3.54Å; V398-M403 HydrophobicContact CG1-CG 4.15Å; V398-M403 HydrophobicContact CG1-SD 4.3Å; V398-M403 PolarHBondContact O-N 2.86Å; M399-M403 HydrophobicContact CB-SD 4.43Å; M399-M403 HydrophobicContact CG-SD 3.97Å; M403-V405 VanDerWaalsContact C-N 3.26Å; M403-V405 HydrophobicContact CB-CG1 4.21Å; M403-V405 HydrophobicContact CB-CG2 3.78Å; M403-V405 PolarHBondContact O-N 3.1Å; M403-V405 HydrophobicContact SD-CG2 4.19Å; M403-R441 WeakPolarHBondContact O-CD 3.49Å; M403-R441 PolarHBondContact O-NE 2.95Å
404K96.8Very high95.1Very high108 Ų10848.3 Ų48.347%0.4723%0.233SC..  trans53.240.3-176.1-57.1171.8179.21780113.1M399 V400 K401 E402 R441M399-K404 CarbonylContact O-C 3.5Å; M399-K404 VanDerWaalsContact O-CA 3.3Å; M399-K404 WeakPolarHBondContact O-CA 3.33Å; M399-K404 PolarHBondContact O-N 3.02Å; V400-K404 WeakPolarHBondContact O-CG 3.44Å; K401-K404 WeakPolarHBondContact O-CE 3.49Å; E402-K404 VanDerWaalsContact C-N 3.29Å; E402-K404 PolarHBondContact O-N 3.34Å; K404-R441 WeakPolarHBondContact O-CD 3.46Å
405V97.9Very high94.8Very high0 Ų049.6 Ų49.60%025%0.246CC..  trans-106.56.7-179.5-63.40000113.1M383 M399 M403 I438 R441 I442M383-V405 HydrophobicContact CE-CB 4.4Å; M383-V405 HydrophobicContact CE-CG2 3.78Å; M383-V405 PolarHBondContact N-O 3.45Å; M399-V405 HydrophobicContact CB-CG2 4.47Å; M399-V405 PolarHBondContact O-N 3.13Å; M403-V405 VanDerWaalsContact C-N 3.26Å; M403-V405 HydrophobicContact CB-CG1 4.21Å; M403-V405 HydrophobicContact CB-CG2 3.78Å; M403-V405 PolarHBondContact O-N 3.1Å; M403-V405 HydrophobicContact SD-CG2 4.19Å; V405-I438 VanDerWaalsContact C-CG2 3.44Å; V405-I438 VanDerWaalsContact O-CG2 3.24Å; V405-I438 WeakPolarHBondContact O-CG2 3.46Å; V405-R441 HydrophobicContact CG1-CG 4.4Å; V405-I442 HydrophobicContact CB-CB 4.29Å; V405-I442 HydrophobicContact CB-CD1 4.34Å; V405-I442 HydrophobicContact CB-CG1 4.29Å; V405-I442 HydrophobicContact CG1-CB 4Å; V405-I442 HydrophobicContact CG1-CG1 4.11Å
406A98.6Very high94.7Very high5 Ų552.1 Ų52.14%0.04126%0.258CS..EExtended strand (participates in β ladder)trans-145.8154.6-177.100000114.1M383 A385 M399 V400M383-A406 HydrophobicContact CB-CB 3.95Å; M383-A406 CarbonylContact O-C 3.56Å; M383-A406 WeakPolarHBondContact O-CA 3.38Å; A385-A406 HydrophobicContact CB-CB 4.14Å; M399-A406 HydrophobicContact CB-CB 4.06Å; M399-A406 HydrophobicContact CE-CB 3.88Å; V400-A406 HydrophobicContact CG2-CB 4.27Å
407L98.6Very high94.8Very high3 Ų350.8 Ų50.82%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-91.7147157.4-60.9176000109M383 V384 A385 E428 L429 K434 I438M383-L407 PolarHBondContact O-N 3.17Å; V384-L407 CarbonylContact C-O 3.47Å; V384-L407 WeakPolarHBondContact CA-O 3.49Å; A385-L407 PolarHBondContact N-O 3.4Å; L407-E428 HydrophobicContact CD1-CB 3.8Å; L407-E428 HydrophobicContact CD1-CG 3.66Å; L407-E428 WeakPolarHBondContact CD2-OE1 3.42Å; L407-L429 HydrophobicContact CD1-CB 4.03Å; L407-L429 HydrophobicContact CD1-CD1 4.26Å; L407-L429 HydrophobicContact CG-CD1 4.34Å; L407-K434 HydrophobicContact CD2-CD 3.97Å; L407-K434 VanDerWaalsContact CD2-CE 3.42Å; L407-K434 HydrophobicContact CD2-CG 4.31Å; L407-I438 HydrophobicContact CD2-CD1 3.76Å; L407-I438 HydrophobicContact CG-CD1 3.83Å
408A98.1Very high94.9Very high30 Ų3052.7 Ų52.725%0.24827%0.267CS..EExtended strand (participates in β ladder)trans-97139.4170.500000110.8R396 V400 R425R396-A408 HydrophobicContact CG-CB 4.13Å; V400-A408 HydrophobicContact CG2-CB 4.03Å; A408-R425 VanDerWaalsContact O-CD 3.3Å; A408-R425 WeakPolarHBondContact O-CD 3.16Å; A408-R425 PolarHBondContact O-NE 2.99Å
409V97.7Very high95Very high6 Ų653 Ų534%0.03627%0.269CS..PPolyproline II helixtrans-70.2147.8162.1-56.60000110V384 A385 W386 E411 V417V384-V409 HydrophobicContact CG1-CG1 3.53Å; A385-V409 PolarHBondContact O-N 3.25Å; A385-V409 VanDerWaalsContact O-N 3.11Å; W386-V409 HydrophobicContact CB-CG1 4.06Å; W386-V409 HydrophobicContact CB-CG2 3.78Å; W386-V409 HydrophobicContact CD2-CG1 4.27Å; W386-V409 HydrophobicContact CD2-CG2 4.13Å; W386-V409 HydrophobicContact CE3-CG1 4.22Å; W386-V409 HydrophobicContact CG-CG1 4.25Å; W386-V409 HydrophobicContact CG-CG2 3.62Å; V409-E411 HydrophobicContact CG2-CG 4.21Å; V409-V417 HydrophobicContact CB-CG2 4.49Å; V409-V417 HydrophobicContact CG2-CG2 4.15Å
410K95.5Very high95Very high139 Ų13956.5 Ų56.560%0.60429%0.29SS*.  trans-93.6113.9168.1-65.4177.2-179176.30110.1E421K410-E421 HydrophobicContact CB-CG 4.17Å; K410-E421 PolarHBondContact N-OE1 3.42Å
411E92.9Very high95Very high51 Ų5155.1 Ų55.124%0.23828%0.28CS..  trans-88145.1174.4-61.4165.4-107.700110.5R396 V409 V417R396-E411 IonicContact NH1-OE1 3.51Å; R396-E411 PolarHBondContact NH1-OE1 3.03Å; V409-E411 HydrophobicContact CG2-CG 4.21Å; E411-V417 HydrophobicContact CB-CG2 4.5Å; E411-V417 HydrophobicContact CG-CG2 3.87Å
412N91.5Very high95.2Very high96 Ų9650.7 Ų50.751%0.51326%0.261SS..  trans-67.4170.2162.3-71-18.8000110.2D414 G415 F416N412-D414 WeakPolarHBondContact CB-OD1 3.33Å; N412-D414 PolarHBondContact O-N 3.29Å; N412-D414 VanDerWaalsContact O-N 3.08Å; N412-G415 PolarHBondContact O-N 3.4Å; N412-F416 HydrophobicContact CB-CB 4.28Å; N412-F416 WeakPolarHBondContact CB-O 3.4Å; N412-F416 PolarHBondContact N-O 3.43Å
413K84.2Confident95.4Very high225 Ų22549.1 Ų49.198%0.97825%0.254SS*.THydrogen-bonded Turntrans-58.2-26.1-177.9-71-174177.3-178.20114.2
414D85.3Confident95.6Very high129 Ų12952.9 Ų52.969%0.6927%0.274SS*.THydrogen-bonded Turntrans-89.12177.459.5-6.1000113.6N412 F416N412-D414 WeakPolarHBondContact CB-OD1 3.33Å; N412-D414 PolarHBondContact O-N 3.29Å; N412-D414 VanDerWaalsContact O-N 3.08Å; D414-F416 VanDerWaalsContact C-N 3.33Å; D414-F416 WeakPolarHBondContact OD1-CB 3.32Å; D414-F416 PolarHBondContact OD1-N 3.1Å
415G88.9Confident95.7Very high28 Ų2849.5 Ų49.529%0.28926%0.259SS..SBendtrans86.6-0.5-175.700000114N412N412-G415 PolarHBondContact O-N 3.4Å
416F94.7Very high95.7Very high54 Ų5449.6 Ų49.624%0.23726%0.259CS..  trans-73.3139.4-177.1-165.7-95.8000111.9A291 Q292 E295 N412 D414A291-F416 HydrophobicContact CB-CE2 4.27Å; Q292-F416 HydrophobicContact CB-CD2 4.46Å; Q292-F416 HydrophobicContact CB-CE2 4.18Å; Q292-F416 VanDerWaalsContact OE1-CD2 3.22Å; E295-F416 HydrophobicContact CB-CZ 4.22Å; E295-F416 HydrophobicContact CG-CE1 3.68Å; E295-F416 HydrophobicContact CG-CE2 4.49Å; E295-F416 HydrophobicContact CG-CZ 3.39Å; N412-F416 HydrophobicContact CB-CB 4.28Å; N412-F416 WeakPolarHBondContact CB-O 3.4Å; N412-F416 PolarHBondContact N-O 3.43Å; D414-F416 VanDerWaalsContact C-N 3.33Å; D414-F416 WeakPolarHBondContact OD1-CB 3.32Å; D414-F416 PolarHBondContact OD1-N 3.1Å
417V98Very high95.7Very high1 Ų153 Ų531%0.00627%0.271CS..  trans-118.1123.1176.2179.90000109.5Q292 W386 V409 E411 E421 L422Q292-V417 PolarHBondContact NE2-O 2.93Å; W386-V417 HydrophobicContact CD2-CG2 4.3Å; W386-V417 VanDerWaalsContact CE2-CG2 3.46Å; W386-V417 HydrophobicContact CH2-CB 3.71Å; W386-V417 HydrophobicContact CH2-CG1 4.01Å; W386-V417 HydrophobicContact CH2-CG2 4.14Å; W386-V417 HydrophobicContact CZ2-CB 3.38Å; W386-V417 HydrophobicContact CZ2-CG1 4.1Å; W386-V417 HydrophobicContact CZ2-CG2 3.38Å; W386-V417 HydrophobicContact CZ3-CG1 4.47Å; V409-V417 HydrophobicContact CB-CG2 4.49Å; V409-V417 HydrophobicContact CG2-CG2 4.15Å; E411-V417 HydrophobicContact CB-CG2 4.5Å; E411-V417 HydrophobicContact CG-CG2 3.87Å; V417-E421 HydrophobicContact CG1-CB 4.11Å; V417-E421 HydrophobicContact CG1-CG 3.96Å; V417-L422 HydrophobicContact CG1-CB 4.31Å
418S98Very high95.7Very high45 Ų4555 Ų5532%0.31528%0.28SS..  trans-69.5153.8177.272.70000112.3T420 E421 L422S418-T420 PolarHBondContact O-N 3.22Å; S418-E421 PolarHBondContact O-N 3.1Å; S418-E421 PolarHBondContact OG-N 2.97Å; S418-E421 VanDerWaalsContact OG-N 3.15Å; S418-L422 PolarHBondContact O-N 2.8Å; S418-L422 VanDerWaalsContact O-N 3.09Å
419S98.2Very high95.7Very high8 Ų853.6 Ų53.66%0.05627%0.269CS..Hα-helixtrans-55.6-38172.950.70000112.9E295 G299 K302 G423E295-S419 WeakPolarHBondContact O-CA 3.26Å; E295-S419 VanDerWaalsContact O-CB 3.27Å; E295-S419 WeakPolarHBondContact O-CB 3.48Å; E295-S419 WeakPolarHBondContact OE2-CA 3.49Å; E295-S419 WeakPolarHBondContact OE2-CB 3.21Å; E295-S419 PolarHBondContact OE2-N 2.87Å; E295-S419 PolarHBondContact OE2-OG 3.24Å; G299-S419 WeakPolarHBondContact CA-O 3.34Å; K302-S419 PolarHBondContact NZ-OG 3.34Å; K302-S419 VanDerWaalsContact NZ-OG 3.13Å; S419-G423 PolarHBondContact O-N 2.93Å
420T98.3Very high95.8Very high72 Ų7254.8 Ų54.844%0.44227%0.274SS..Hα-helixtrans-63.7-49.2176.6-57.80000111.2S418 L422 G423 D424S418-T420 PolarHBondContact O-N 3.22Å; T420-L422 PolarHBondContact O-N 2.99Å; T420-G423 PolarHBondContact O-N 2.92Å; T420-D424 VanDerWaalsContact O-CB 3.3Å; T420-D424 WeakPolarHBondContact O-CB 3.32Å; T420-D424 PolarHBondContact O-N 3.38Å
421E98.4Very high95.9Very high23 Ų2353.2 Ų53.211%0.10727%0.269CS..Hα-helixtrans-60.4-46.7179.3173.162-160.500111.7K410 V417 S418 R425K410-E421 HydrophobicContact CB-CG 4.17Å; K410-E421 PolarHBondContact N-OE1 3.42Å; V417-E421 HydrophobicContact CG1-CB 4.11Å; V417-E421 HydrophobicContact CG1-CG 3.96Å; S418-E421 PolarHBondContact O-N 3.1Å; S418-E421 PolarHBondContact OG-N 2.97Å; S418-E421 VanDerWaalsContact OG-N 3.15Å; E421-R425 WeakPolarHBondContact O-CG 3.36Å; E421-R425 PolarHBondContact O-N 3.04Å; E421-R425 VanDerWaalsContact OE1-CG 3.24Å; E421-R425 WeakPolarHBondContact OE1-CG 3.41Å; E421-R425 IonicContact OE1-CZ 3.94Å; E421-R425 IonicContact OE1-NE 3.12Å; E421-R425 PolarHBondContact OE1-NE 3Å; E421-R425 IonicContact OE1-NH2 2.79Å; E421-R425 IonicContact OE2-NE 3.61Å; E421-R425 IonicContact OE2-NH2 2.77Å
422L98.7Very high96.1Very high1 Ų152.4 Ų52.41%0.00527%0.269CS..Hα-helixtrans-62.7-48.6177.8178.462.2000111.6I296 V365 W386 V417 S418 T420 D424 R425 V426I296-L422 HydrophobicContact CB-CD2 4.08Å; I296-L422 HydrophobicContact CG1-CD2 4.07Å; I296-L422 HydrophobicContact CG2-CD2 3.85Å; V365-L422 HydrophobicContact CG1-CD1 4.36Å; W386-L422 HydrophobicContact CE3-CD1 4Å; W386-L422 HydrophobicContact CH2-CD2 4.46Å; W386-L422 HydrophobicContact CZ3-CD1 3.64Å; W386-L422 HydrophobicContact CZ3-CD2 3.87Å; W386-L422 HydrophobicContact CZ3-CG 4.2Å; V417-L422 HydrophobicContact CG1-CB 4.31Å; S418-L422 PolarHBondContact O-N 2.8Å; S418-L422 VanDerWaalsContact O-N 3.09Å; T420-L422 PolarHBondContact O-N 2.99Å; L422-D424 VanDerWaalsContact C-N 3.32Å; L422-D424 PolarHBondContact O-N 2.76Å; L422-R425 PolarHBondContact O-N 2.78Å; L422-V426 HydrophobicContact CD1-CG2 4.02Å; L422-V426 HydrophobicContact CG-CG2 4.39Å; L422-V426 WeakPolarHBondContact O-CB 3.39Å; L422-V426 WeakPolarHBondContact O-CG2 3.33Å; L422-V426 PolarHBondContact O-N 3.24Å
423G98.5Very high96.5Very high2 Ų253 Ų532%0.02127%0.272CS..Hα-helixtrans-60-42.5-178.700000112.4G299 S419 T420 V426 R427G299-G423 VanDerWaalsContact O-CA 3.3Å; G299-G423 WeakPolarHBondContact O-CA 3.37Å; S419-G423 PolarHBondContact O-N 2.93Å; T420-G423 PolarHBondContact O-N 2.92Å; G423-V426 PolarHBondContact O-N 2.95Å; G423-R427 WeakPolarHBondContact O-CB 3.41Å; G423-R427 PolarHBondContact O-N 3.48Å
424D98.6Very high97.1Very high84 Ų8447 Ų4745%0.44925%0.246SC..Hα-helixtrans-65.5-42.9177.8-71.4-10.8000111.6T420 L422 R427 E428T420-D424 VanDerWaalsContact O-CB 3.3Å; T420-D424 WeakPolarHBondContact O-CB 3.32Å; T420-D424 PolarHBondContact O-N 3.38Å; L422-D424 VanDerWaalsContact C-N 3.32Å; L422-D424 PolarHBondContact O-N 2.76Å; D424-R427 PolarHBondContact O-N 3Å; D424-E428 WeakPolarHBondContact O-CB 3.28Å; D424-E428 PolarHBondContact O-N 3.23Å
425R98.7Very high97.7Very high38 Ų3840.9 Ų40.914%0.14321%0.214CC..Hα-helixtrans-66-41.3177.9-66.9-70.6157.1-141.8-30112.4V384 A408 E421 L422 E428 L429V384-R425 HydrophobicContact CG1-CB 3.96Å; V384-R425 HydrophobicContact CG2-CB 4.36Å; A408-R425 VanDerWaalsContact O-CD 3.3Å; A408-R425 WeakPolarHBondContact O-CD 3.16Å; A408-R425 PolarHBondContact O-NE 2.99Å; E421-R425 WeakPolarHBondContact O-CG 3.36Å; E421-R425 PolarHBondContact O-N 3.04Å; E421-R425 VanDerWaalsContact OE1-CG 3.24Å; E421-R425 WeakPolarHBondContact OE1-CG 3.41Å; E421-R425 IonicContact OE1-CZ 3.94Å; E421-R425 IonicContact OE1-NE 3.12Å; E421-R425 PolarHBondContact OE1-NE 3Å; E421-R425 IonicContact OE1-NH2 2.79Å; E421-R425 IonicContact OE2-NE 3.61Å; E421-R425 IonicContact OE2-NH2 2.77Å; L422-R425 PolarHBondContact O-N 2.78Å; R425-E428 IonicContact CZ-OE2 3.37Å; R425-E428 IonicContact NH1-OE1 2.63Å; R425-E428 IonicContact NH1-OE2 2.87Å; R425-E428 PolarHBondContact NH1-OE2 3.3Å; R425-E428 PolarHBondContact O-N 2.6Å; R425-L429 WeakPolarHBondContact O-CB 3.37Å; R425-L429 PolarHBondContact O-N 3.42Å
426V98.8Very high98.2Very high1 Ų144.9 Ų44.91%0.00622%0.223CC..Hα-helixtrans-62.4-47.9175.71670000110.1V278 Q305 V365 L422 G423 L429 M430V278-V426 HydrophobicContact CG2-CG1 4.13Å; Q305-V426 HydrophobicContact CB-CG1 4Å; Q305-V426 HydrophobicContact CG-CG1 3.71Å; V365-V426 HydrophobicContact CG2-CG2 4.01Å; L422-V426 HydrophobicContact CD1-CG2 4.02Å; L422-V426 HydrophobicContact CG-CG2 4.39Å; L422-V426 WeakPolarHBondContact O-CB 3.39Å; L422-V426 WeakPolarHBondContact O-CG2 3.33Å; L422-V426 PolarHBondContact O-N 3.24Å; G423-V426 PolarHBondContact O-N 2.95Å; V426-L429 PolarHBondContact O-N 3.49Å; V426-M430 VanDerWaalsContact O-CG 3.24Å; V426-M430 WeakPolarHBondContact O-CG 3.3Å; V426-M430 PolarHBondContact O-N 2.65Å
427R98.6Very high98.4Very high77 Ų7748.3 Ų48.329%0.29124%0.24SC..Hα-helixtrans-63.6-44176.8-168-173.1-65-105.34.3112.2K302 E304 G423 D424 L429 M430 E431K302-R427 PolarHBondContact O-NH2 2.77Å; E304-R427 IonicContact OE2-CZ 2.69Å; E304-R427 IonicContact OE2-NH1 3.8Å; E304-R427 PolarHBondContact OE2-NH1 3.49Å; E304-R427 IonicContact OE2-NH2 3.42Å; E304-R427 PolarHBondContact OE2-NH2 3.49Å; G423-R427 WeakPolarHBondContact O-CB 3.41Å; G423-R427 PolarHBondContact O-N 3.48Å; D424-R427 PolarHBondContact O-N 3Å; R427-L429 PolarHBondContact O-N 3.14Å; R427-M430 PolarHBondContact O-N 2.89Å; R427-E431 VanDerWaalsContact CG-OE2 3.27Å; R427-E431 WeakPolarHBondContact CG-OE2 3.47Å; R427-E431 PolarHBondContact O-N 2.74Å
428E98.6Very high98.4Very high45 Ų4548.7 Ų48.721%0.2124%0.242CC..Hα-helixtrans-58.7-45.2177.1-174.3-174.7168.400111.1L407 D424 R425 M430 S432 K434L407-E428 HydrophobicContact CD1-CB 3.8Å; L407-E428 HydrophobicContact CD1-CG 3.66Å; L407-E428 WeakPolarHBondContact CD2-OE1 3.42Å; D424-E428 WeakPolarHBondContact O-CB 3.28Å; D424-E428 PolarHBondContact O-N 3.23Å; R425-E428 IonicContact CZ-OE2 3.37Å; R425-E428 IonicContact NH1-OE1 2.63Å; R425-E428 IonicContact NH1-OE2 2.87Å; R425-E428 PolarHBondContact NH1-OE2 3.3Å; R425-E428 PolarHBondContact O-N 2.6Å; E428-M430 VanDerWaalsContact C-N 3.31Å; E428-M430 PolarHBondContact O-N 3.11Å; E428-S432 WeakPolarHBondContact O-CB 3.07Å; E428-S432 PolarHBondContact O-N 3.41Å; E428-S432 PolarHBondContact O-OG 3.38Å; E428-K434 WeakPolarHBondContact OE1-CD 3.16Å; E428-K434 IonicContact OE1-NZ 3.61Å; E428-K434 PolarHBondContact OE1-NZ 3.45Å
429L98.7Very high98.4Very high1 Ų148.9 Ų48.91%0.00524%0.235CC..Hα-helixtrans-62.3-39178.6-170.369.5000112.2P382 V384 L407 R425 V426 R427 G435 I438P382-L429 HydrophobicContact CB-CD1 3.98Å; P382-L429 HydrophobicContact CB-CG 4.48Å; P382-L429 HydrophobicContact CG-CD1 4.48Å; P382-L429 HydrophobicContact CG-CG 4.48Å; V384-L429 HydrophobicContact CG2-CB 4.16Å; V384-L429 HydrophobicContact CG2-CD2 3.75Å; V384-L429 HydrophobicContact CG2-CG 4.44Å; L407-L429 HydrophobicContact CD1-CB 4.03Å; L407-L429 HydrophobicContact CD1-CD1 4.26Å; L407-L429 HydrophobicContact CG-CD1 4.34Å; R425-L429 WeakPolarHBondContact O-CB 3.37Å; R425-L429 PolarHBondContact O-N 3.42Å; V426-L429 PolarHBondContact O-N 3.49Å; R427-L429 PolarHBondContact O-N 3.14Å; L429-G435 VanDerWaalsContact O-CA 3.3Å; L429-G435 WeakPolarHBondContact O-CA 3.43Å; L429-I438 HydrophobicContact CD1-CD1 4.29Å; L429-I438 HydrophobicContact CD1-CG2 4.36Å
430M98.6Very high98.4Very high31 Ų3154.7 Ų54.715%0.15326%0.262CS..Hα-helixtrans-86-36.7-171.3-64.2-57.6-73.800113.4Q275 V278 Q305 V426 R427 E428Q275-M430 WeakPolarHBondContact O-CE 3.23Å; V278-M430 HydrophobicContact CG2-CE 3.93Å; V278-M430 HydrophobicContact CG2-CG 3.56Å; V278-M430 HydrophobicContact CG2-SD 3.44Å; V278-M430 WeakPolarHBondContact CG2-SD 3.49Å; Q305-M430 HydrophobicContact CG-CB 4.27Å; Q305-M430 HydrophobicContact CG-CG 4.12Å; V426-M430 VanDerWaalsContact O-CG 3.24Å; V426-M430 WeakPolarHBondContact O-CG 3.3Å; V426-M430 PolarHBondContact O-N 2.65Å; R427-M430 PolarHBondContact O-N 2.89Å; E428-M430 VanDerWaalsContact C-N 3.31Å; E428-M430 PolarHBondContact O-N 3.11Å
431E97.8Very high98.4Very high105 Ų10556.2 Ų56.249%0.49126%0.26SS..Hα-helixtrans-116.2-23.3-166.7-59.7-178.3164.400114.3Q305 R427Q305-E431 VanDerWaalsContact NE2-CD 3.35Å; Q305-E431 PolarHBondContact NE2-OE1 3.11Å; R427-E431 VanDerWaalsContact CG-OE2 3.27Å; R427-E431 WeakPolarHBondContact CG-OE2 3.47Å; R427-E431 PolarHBondContact O-N 2.74Å
432S98.1Very high98.3Very high35 Ų3555.1 Ų55.125%0.24525%0.254CS..SBendtrans-81.6161.1-173.5820000113.4E428 K434 G435 K436E428-S432 WeakPolarHBondContact O-CB 3.07Å; E428-S432 PolarHBondContact O-N 3.41Å; E428-S432 PolarHBondContact O-OG 3.38Å; S432-K434 PolarHBondContact O-N 3.31Å; S432-K434 PolarHBondContact OG-N 3.32Å; S432-G435 PolarHBondContact O-N 3.33Å; S432-G435 VanDerWaalsContact O-N 3.11Å; S432-G435 PolarHBondContact OG-N 2.97Å; S432-G435 VanDerWaalsContact OG-N 3.08Å; S432-K436 PolarHBondContact O-N 3.21Å; S432-K436 VanDerWaalsContact O-N 3.11Å
433D98.1Very high98.3Very high108 Ų10860.9 Ų60.958%0.57828%0.28SS*.Hα-helixtrans-62.2-34173-68.6-27.5000112.3G435 K436 E437D433-G435 VanDerWaalsContact C-N 3.33Å; D433-G435 PolarHBondContact O-N 3.17Å; D433-K436 WeakPolarHBondContact O-CB 3.06Å; D433-K436 PolarHBondContact O-N 3.42Å; D433-K436 VanDerWaalsContact O-N 3.14Å; D433-K436 IonicContact OD1-NZ 3.86Å; D433-K436 PolarHBondContact OD1-NZ 2.96Å; D433-E437 WeakPolarHBondContact O-CG 3.47Å; D433-E437 PolarHBondContact O-N 3.5Å
434K98Very high98.3Very high99 Ų9967.7 Ų67.743%0.4331%0.309SS..Hα-helixtrans-64.4-38.2173.4-172.2171.6171-160.90112L407 E428 S432 K436 E437 I438L407-K434 HydrophobicContact CD2-CD 3.97Å; L407-K434 VanDerWaalsContact CD2-CE 3.42Å; L407-K434 HydrophobicContact CD2-CG 4.31Å; E428-K434 WeakPolarHBondContact OE1-CD 3.16Å; E428-K434 IonicContact OE1-NZ 3.61Å; E428-K434 PolarHBondContact OE1-NZ 3.45Å; S432-K434 PolarHBondContact O-N 3.31Å; S432-K434 PolarHBondContact OG-N 3.32Å; K434-K436 VanDerWaalsContact C-N 3.32Å; K434-K436 PolarHBondContact O-N 2.99Å; K434-E437 PolarHBondContact O-N 3.47Å; K434-I438 HydrophobicContact CG-CD1 4.4Å; K434-I438 VanDerWaalsContact O-CG1 3.31Å; K434-I438 WeakPolarHBondContact O-CG1 3.34Å; K434-I438 PolarHBondContact O-N 3.05Å
435G98.5Very high98.2Very high1 Ų164.8 Ų64.81%0.0129%0.292CS..Hα-helixtrans-59.6-41.4171.200000112.4L429 S432 D433 I438 R439L429-G435 VanDerWaalsContact O-CA 3.3Å; L429-G435 WeakPolarHBondContact O-CA 3.43Å; S432-G435 PolarHBondContact O-N 3.33Å; S432-G435 VanDerWaalsContact O-N 3.11Å; S432-G435 PolarHBondContact OG-N 2.97Å; S432-G435 VanDerWaalsContact OG-N 3.08Å; D433-G435 VanDerWaalsContact C-N 3.33Å; D433-G435 PolarHBondContact O-N 3.17Å; G435-I438 PolarHBondContact O-N 3.36Å; G435-R439 WeakPolarHBondContact O-CB 3.35Å; G435-R439 PolarHBondContact O-N 3.23Å
436K98.1Very high98.1Very high111 Ų11166 Ų6648%0.48330%0.299SS..Hα-helixtrans-64.7-42.2174.8-61.7172.8-164.8155.60112.4S432 D433 K434 R439 Q440S432-K436 PolarHBondContact O-N 3.21Å; S432-K436 VanDerWaalsContact O-N 3.11Å; D433-K436 WeakPolarHBondContact O-CB 3.06Å; D433-K436 PolarHBondContact O-N 3.42Å; D433-K436 VanDerWaalsContact O-N 3.14Å; D433-K436 IonicContact OD1-NZ 3.86Å; D433-K436 PolarHBondContact OD1-NZ 2.96Å; K434-K436 VanDerWaalsContact C-N 3.32Å; K434-K436 PolarHBondContact O-N 2.99Å; K436-R439 WeakPolarHBondContact O-CB 3.31Å; K436-R439 PolarHBondContact O-N 3.13Å; K436-Q440 WeakPolarHBondContact O-CG 3.5Å; K436-Q440 PolarHBondContact O-N 3.2Å
437E98.4Very high98.1Very high126 Ų12670.3 Ų70.359%0.58932%0.32SS*.Hα-helixtrans-60.2-45.6175.5-72175.7-169.300111.6D433 K434 R439 Q440 R441D433-E437 WeakPolarHBondContact O-CG 3.47Å; D433-E437 PolarHBondContact O-N 3.5Å; K434-E437 PolarHBondContact O-N 3.47Å; E437-R439 VanDerWaalsContact C-N 3.33Å; E437-R439 PolarHBondContact O-N 3.25Å; E437-Q440 PolarHBondContact O-N 3.33Å; E437-R441 PolarHBondContact O-N 3.17Å
438I98.6Very high98.1Very high9 Ų968.2 Ų68.25%0.04632%0.317CS..Hα-helixtrans-59.4-45.4176-69.9170.9000110.3P382 V405 L407 L429 K434 G435 Q440 R441 I442P382-I438 HydrophobicContact CB-CG2 3.54Å; V405-I438 VanDerWaalsContact C-CG2 3.44Å; V405-I438 VanDerWaalsContact O-CG2 3.24Å; V405-I438 WeakPolarHBondContact O-CG2 3.46Å; L407-I438 HydrophobicContact CD2-CD1 3.76Å; L407-I438 HydrophobicContact CG-CD1 3.83Å; L429-I438 HydrophobicContact CD1-CD1 4.29Å; L429-I438 HydrophobicContact CD1-CG2 4.36Å; K434-I438 HydrophobicContact CG-CD1 4.4Å; K434-I438 VanDerWaalsContact O-CG1 3.31Å; K434-I438 WeakPolarHBondContact O-CG1 3.34Å; K434-I438 PolarHBondContact O-N 3.05Å; G435-I438 PolarHBondContact O-N 3.36Å; I438-Q440 PolarHBondContact O-N 3.16Å; I438-R441 PolarHBondContact O-N 3.38Å; I438-I442 PolarHBondContact O-N 3.2Å
439R98.4Very high98Very high49 Ų4966.2 Ų66.219%0.18531%0.308CS..Hα-helixtrans-60.3-43.6178.3-170.3177.9-56.3-69.6-7112.5G362 G435 K436 E437 R441 I442 F443G362-R439 VanDerWaalsContact O-CZ 3.29Å; G362-R439 PolarHBondContact O-NH1 3.26Å; G362-R439 PolarHBondContact O-NH2 2.76Å; G435-R439 WeakPolarHBondContact O-CB 3.35Å; G435-R439 PolarHBondContact O-N 3.23Å; K436-R439 WeakPolarHBondContact O-CB 3.31Å; K436-R439 PolarHBondContact O-N 3.13Å; E437-R439 VanDerWaalsContact C-N 3.33Å; E437-R439 PolarHBondContact O-N 3.25Å; R439-R441 VanDerWaalsContact C-N 3.31Å; R439-R441 PolarHBondContact O-N 3.12Å; R439-I442 WeakPolarHBondContact O-CG2 3.27Å; R439-F443 WeakPolarHBondContact O-CB 3.19Å; R439-F443 PolarHBondContact O-N 3.21Å; R439-F443 VanDerWaalsContact O-N 3.07Å
440Q98.1Very high98Very high130 Ų13069.1 Ų69.161%0.60733%0.333SS*.Hα-helixtrans-62.8-40.2175.5-71.2174.92.800111.9K436 E437 I438 K444K436-Q440 WeakPolarHBondContact O-CG 3.5Å; K436-Q440 PolarHBondContact O-N 3.2Å; E437-Q440 PolarHBondContact O-N 3.33Å; I438-Q440 PolarHBondContact O-N 3.16Å; Q440-K444 PolarHBondContact O-N 2.9Å
441R97.7Very high97.9Very high105 Ų10573.4 Ų73.440%0.39635%0.352SS..Hα-helixtrans-68.6-47.7-178.7-167.5172.9-164.7123.8-1.2112.1M403 K404 V405 E437 I438 R439 F443 K444 M445M403-R441 WeakPolarHBondContact O-CD 3.49Å; M403-R441 PolarHBondContact O-NE 2.95Å; K404-R441 WeakPolarHBondContact O-CD 3.46Å; V405-R441 HydrophobicContact CG1-CG 4.4Å; E437-R441 PolarHBondContact O-N 3.17Å; I438-R441 PolarHBondContact O-N 3.38Å; R439-R441 VanDerWaalsContact C-N 3.31Å; R439-R441 PolarHBondContact O-N 3.12Å; R441-F443 VanDerWaalsContact C-N 3.28Å; R441-F443 PolarHBondContact O-N 3.31Å; R441-K444 WeakPolarHBondContact O-CB 3.37Å; R441-K444 PolarHBondContact O-N 3.02Å; R441-M445 PolarHBondContact O-N 3.35Å
442I98Very high97.9Very high0 Ų068.6 Ų68.60%033%0.331CS..Hα-helixtrans-68.2-30.4179.9-158.1178.4000111.8V377 G380 V381 P382 M383 V405 I438 R439 K444 M445 K446V377-I442 HydrophobicContact CG2-CD1 4.39Å; V377-I442 HydrophobicContact CG2-CG1 4.43Å; G380-I442 WeakPolarHBondContact O-CG2 3.18Å; V381-I442 VanDerWaalsContact C-CD1 3.48Å; V381-I442 WeakPolarHBondContact O-CD1 3.39Å; P382-I442 HydrophobicContact CB-CG2 4.34Å; M383-I442 HydrophobicContact CE-CD1 3.95Å; V405-I442 HydrophobicContact CB-CB 4.29Å; V405-I442 HydrophobicContact CB-CD1 4.34Å; V405-I442 HydrophobicContact CB-CG1 4.29Å; V405-I442 HydrophobicContact CG1-CB 4Å; V405-I442 HydrophobicContact CG1-CG1 4.11Å; I438-I442 PolarHBondContact O-N 3.2Å; R439-I442 WeakPolarHBondContact O-CG2 3.27Å; I442-K444 PolarHBondContact O-N 3.44Å; I442-M445 CarbonylContact O-C 3.53Å; I442-M445 WeakPolarHBondContact O-CB 3.18Å; I442-M445 PolarHBondContact O-N 2.84Å; I442-M445 VanDerWaalsContact O-N 3.15Å; I442-K446 PolarHBondContact O-N 3.49Å
443F97.6Very high97.9Very high122 Ų12269.5 Ų69.554%0.53533%0.332SS..Hα-helixtrans-62-40.9171.7-176.6-96000112.4R439 R441 M445 K446 M447R439-F443 WeakPolarHBondContact O-CB 3.19Å; R439-F443 PolarHBondContact O-N 3.21Å; R439-F443 VanDerWaalsContact O-N 3.07Å; R441-F443 VanDerWaalsContact C-N 3.28Å; R441-F443 PolarHBondContact O-N 3.31Å; F443-M445 VanDerWaalsContact C-N 3.32Å; F443-K446 WeakPolarHBondContact O-CB 3.43Å; F443-K446 PolarHBondContact O-N 2.95Å; F443-M447 HydrophobicContact CE1-CG 4.39Å; F443-M447 PolarHBondContact O-N 2.93Å
444K97.5Very high97.8Very high145 Ų14566.7 Ų66.763%0.6332%0.324SS*.Hα-helixtrans-63.2-41.1172-67.4177.2-177.9-1790111.3Q440 R441 I442 K446 M447 S448Q440-K444 PolarHBondContact O-N 2.9Å; R441-K444 WeakPolarHBondContact O-CB 3.37Å; R441-K444 PolarHBondContact O-N 3.02Å; I442-K444 PolarHBondContact O-N 3.44Å; K444-K446 VanDerWaalsContact C-N 3.33Å; K444-K446 PolarHBondContact O-N 2.74Å; K444-M447 WeakPolarHBondContact O-CB 3.24Å; K444-M447 PolarHBondContact O-N 3.06Å; K444-M447 VanDerWaalsContact O-N 3.17Å; K444-S448 PolarHBondContact O-N 2.9Å; K444-S448 PolarHBondContact O-OG 2.74Å
445M96.8Very high97.7Very high22 Ų2271.3 Ų71.311%0.10835%0.347CS..Hα-helixtrans-62-39177.4-152.5113.9-67.500112.2F226 A228 I229 V377 R441 I442 F443 M447 S448 A449F226-M445 HydrophobicContact CZ-CG 4.12Å; A228-M445 HydrophobicContact CB-CE 4.44Å; A228-M445 WeakPolarHBondContact O-CE 3.38Å; I229-M445 HydrophobicContact CB-SD 4.25Å; I229-M445 HydrophobicContact CG1-CG 4.36Å; I229-M445 HydrophobicContact CG1-SD 3.89Å; V377-M445 HydrophobicContact CG1-CB 4.09Å; V377-M445 HydrophobicContact CG1-CG 3.6Å; R441-M445 PolarHBondContact O-N 3.35Å; I442-M445 CarbonylContact O-C 3.53Å; I442-M445 WeakPolarHBondContact O-CB 3.18Å; I442-M445 PolarHBondContact O-N 2.84Å; I442-M445 VanDerWaalsContact O-N 3.15Å; F443-M445 VanDerWaalsContact C-N 3.32Å; M445-M447 VanDerWaalsContact C-N 3.34Å; M445-M447 PolarHBondContact O-N 2.81Å; M445-S448 PolarHBondContact O-N 3.04Å; M445-A449 WeakPolarHBondContact O-CB 3.34Å; M445-A449 PolarHBondContact O-N 3.24Å
446K97.8Very high97.4Very high63 Ų6374.7 Ų74.727%0.27438%0.382SS..Hα-helixtrans-56.5-45.4172171.9170-163.4157.80111.9V377 C378 E379 I442 F443 K444 A449 A450V377-K446 WeakPolarHBondContact O-CA 3.39Å; V377-K446 WeakPolarHBondContact O-CB 3.49Å; C378-K446 WeakPolarHBondContact O-CD 3.43Å; C378-K446 WeakPolarHBondContact O-CE 3.42Å; C378-K446 VanDerWaalsContact O-CG 3.27Å; C378-K446 WeakPolarHBondContact O-CG 3.28Å; E379-K446 PolarHBondContact O-NZ 2.98Å; E379-K446 IonicContact OE2-NZ 2.82Å; E379-K446 PolarHBondContact OE2-NZ 3.41Å; I442-K446 PolarHBondContact O-N 3.49Å; F443-K446 WeakPolarHBondContact O-CB 3.43Å; F443-K446 PolarHBondContact O-N 2.95Å; K444-K446 VanDerWaalsContact C-N 3.33Å; K444-K446 PolarHBondContact O-N 2.74Å; K446-A449 WeakPolarHBondContact O-CB 3.49Å; K446-A449 PolarHBondContact O-N 3.15Å; K446-A450 PolarHBondContact O-N 3.2Å
447M98.2Very high97.4Very high92 Ų9269.9 Ų69.945%0.45336%0.364SS..Hα-helixtrans-64.6-46.5177.8-63.3-55-55.700111.5F443 K444 M445 A449 A450 E451F443-M447 HydrophobicContact CE1-CG 4.39Å; F443-M447 PolarHBondContact O-N 2.93Å; K444-M447 WeakPolarHBondContact O-CB 3.24Å; K444-M447 PolarHBondContact O-N 3.06Å; K444-M447 VanDerWaalsContact O-N 3.17Å; M445-M447 VanDerWaalsContact C-N 3.34Å; M445-M447 PolarHBondContact O-N 2.81Å; M447-A449 VanDerWaalsContact C-N 3.31Å; M447-A449 PolarHBondContact O-N 2.89Å; M447-A450 WeakPolarHBondContact O-CB 3.45Å; M447-A450 PolarHBondContact O-N 3.43Å; M447-A450 VanDerWaalsContact O-N 3.12Å; M447-E451 WeakPolarHBondContact O-CG 3.43Å; M447-E451 PolarHBondContact O-N 3.39Å
448S97.9Very high97.3Very high33 Ų3367.1 Ų67.123%0.23136%0.355CS..Hα-helixtrans-65-33.2178-58.70000113.2K444 M445 E451 A452K444-S448 PolarHBondContact O-N 2.9Å; K444-S448 PolarHBondContact O-OG 2.74Å; M445-S448 PolarHBondContact O-N 3.04Å; S448-E451 PolarHBondContact O-N 2.88Å; S448-A452 WeakPolarHBondContact O-CB 3.33Å; S448-A452 PolarHBondContact O-N 3.03Å
449A97.7Very high97.3Very high3 Ų366.8 Ų66.83%0.02535%0.354CS..Hα-helixtrans-59.7-44.6171.200000111.6F226 P252 M445 K446 M447 A452 M453F226-A449 HydrophobicContact CE1-CB 4.14Å; F226-A449 HydrophobicContact CE2-CB 4.07Å; F226-A449 HydrophobicContact CZ-CB 3.7Å; P252-A449 HydrophobicContact CG-CB 3.88Å; M445-A449 WeakPolarHBondContact O-CB 3.34Å; M445-A449 PolarHBondContact O-N 3.24Å; K446-A449 WeakPolarHBondContact O-CB 3.49Å; K446-A449 PolarHBondContact O-N 3.15Å; M447-A449 VanDerWaalsContact C-N 3.31Å; M447-A449 PolarHBondContact O-N 2.89Å; A449-A452 PolarHBondContact O-N 3.24Å; A449-M453 PolarHBondContact O-N 3.3Å
450A97.6Very high97.2Very high63 Ų6365.9 Ų65.952%0.52135%0.351SS..Hα-helixtrans-66.3-41.2176.100000112.1K446 M447 M453 A454K446-A450 PolarHBondContact O-N 3.2Å; M447-A450 WeakPolarHBondContact O-CB 3.45Å; M447-A450 PolarHBondContact O-N 3.43Å; M447-A450 VanDerWaalsContact O-N 3.12Å; A450-M453 PolarHBondContact O-N 3.34Å; A450-A454 PolarHBondContact O-N 3.34Å; A450-A454 VanDerWaalsContact O-N 3.09Å
451E98Very high97.2Very high120 Ų12062.3 Ų62.356%0.56134%0.343SS*.Hα-helixtrans-62.6-40.6176.3-70.7168.8173.900112.3M447 S448 M453 A454 G457M447-E451 WeakPolarHBondContact O-CG 3.43Å; M447-E451 PolarHBondContact O-N 3.39Å; S448-E451 PolarHBondContact O-N 2.88Å; E451-M453 PolarHBondContact O-N 3.49Å; E451-A454 PolarHBondContact O-N 3.1Å; E451-G457 VanDerWaalsContact O-CA 3.3Å; E451-G457 WeakPolarHBondContact O-CA 3.37Å
452A98Very high97.2Very high5 Ų558.2 Ų58.24%0.04133%0.33CS..Hα-helixtrans-62-32.9178.700000112.8F226 S448 A449 G457 T458 S459 R460F226-A452 HydrophobicContact CB-CB 3.88Å; F226-A452 HydrophobicContact CD2-CB 4.24Å; F226-A452 HydrophobicContact CG-CB 4.32Å; S448-A452 WeakPolarHBondContact O-CB 3.33Å; S448-A452 PolarHBondContact O-N 3.03Å; A449-A452 PolarHBondContact O-N 3.24Å; A452-G457 CarbonylContact O-C 3.59Å; A452-G457 WeakPolarHBondContact O-CA 3.39Å; A452-T458 PolarHBondContact O-N 2.91Å; A452-S459 WeakPolarHBondContact O-CB 3.42Å; A452-S459 PolarHBondContact O-N 3.37Å; A452-S459 VanDerWaalsContact O-N 3.17Å; A452-R460 PolarHBondContact O-N 3.27Å
453M97Very high97.2Very high53 Ų5358.2 Ų58.226%0.26133%0.331SS..Hα-helixtrans-89.5-16.4-179.3-64.1-60.6-71.400113.8L25 G251 P252 A449 A450 E451L25-M453 HydrophobicContact CD1-CE 3.54Å; L25-M453 HydrophobicContact CD2-CE 3.99Å; L25-M453 HydrophobicContact CG-CE 4.43Å; G251-M453 VanDerWaalsContact O-SD 3.38Å; P252-M453 HydrophobicContact CG-CG 4.35Å; A449-M453 PolarHBondContact O-N 3.3Å; A450-M453 PolarHBondContact O-N 3.34Å; E451-M453 PolarHBondContact O-N 3.49Å
454A96.9Very high97.2Very high50 Ų5055.4 Ų55.441%0.41332%0.321SS..SBendtrans-65.5166.8179.100000112.3A450 E451 G456 G457 R460A450-A454 PolarHBondContact O-N 3.34Å; A450-A454 VanDerWaalsContact O-N 3.09Å; E451-A454 PolarHBondContact O-N 3.1Å; A454-G456 PolarHBondContact O-N 3.14Å; A454-G457 WeakPolarHBondContact O-CA 3.4Å; A454-G457 PolarHBondContact O-N 3.47Å; A454-R460 VanDerWaalsContact O-CB 3.3Å; A454-R460 WeakPolarHBondContact O-CB 3.3Å
455E95Very high97.1Very high195 Ų19554.2 Ų54.291%0.91132%0.316SS*.THydrogen-bonded Turntrans-59.2124.7173-173174.6-17800110.5G457E455-G457 VanDerWaalsContact C-N 3.25Å; E455-G457 PolarHBondContact O-N 3.01Å
456G93.3Very high97.1Very high72 Ų7253.2 Ų53.274%0.74231%0.311SS*.THydrogen-bonded Turntrans81.4-4.6-173.500000115.1A454A454-G456 PolarHBondContact O-N 3.14Å
457G97.4Very high97.1Very high10 Ų1050.2 Ų50.210%0.10330%0.298CS..  trans-62.5157172.900000112.7E451 A452 A454 E455 S459 R460 A461E451-G457 VanDerWaalsContact O-CA 3.3Å; E451-G457 WeakPolarHBondContact O-CA 3.37Å; A452-G457 CarbonylContact O-C 3.59Å; A452-G457 WeakPolarHBondContact O-CA 3.39Å; A454-G457 WeakPolarHBondContact O-CA 3.4Å; A454-G457 PolarHBondContact O-N 3.47Å; E455-G457 VanDerWaalsContact C-N 3.25Å; E455-G457 PolarHBondContact O-N 3.01Å; G457-S459 PolarHBondContact O-N 2.89Å; G457-R460 WeakPolarHBondContact O-CB 3.31Å; G457-R460 PolarHBondContact O-N 2.98Å; G457-A461 WeakPolarHBondContact O-CB 3.26Å; G457-A461 PolarHBondContact O-N 3.41Å
458T97.1Very high96.9Very high68 Ų6852.2 Ų52.242%0.41730%0.304SS..Hα-helixtrans-64.4-42.7-172.1510000112.8E227 A452 A461 S462E227-T458 WeakPolarHBondContact OE2-CG2 3.24Å; A452-T458 PolarHBondContact O-N 2.91Å; T458-A461 PolarHBondContact O-N 2.95Å; T458-S462 WeakPolarHBondContact O-CB 3.4Å; T458-S462 PolarHBondContact O-N 3.27Å
459S97.7Very high96.8Very high2 Ų253.2 Ų53.21%0.01431%0.307CS..Hα-helixtrans-67.1-37.8175.1-60.70000112.3G251 A452 G457 S462 L463G251-S459 WeakPolarHBondContact O-CB 3.24Å; G251-S459 PolarHBondContact O-OG 3.27Å; A452-S459 WeakPolarHBondContact O-CB 3.42Å; A452-S459 PolarHBondContact O-N 3.37Å; A452-S459 VanDerWaalsContact O-N 3.17Å; G457-S459 PolarHBondContact O-N 2.89Å; S459-S462 WeakPolarHBondContact O-CB 3.45Å; S459-S462 PolarHBondContact O-N 3.22Å; S459-L463 PolarHBondContact O-N 3.2Å
460R97.1Very high96.7Very high31 Ų3153.1 Ų53.112%0.11731%0.305CS..Hα-helixtrans-63.2-45175-171.572.7-168.390.920.2111.8H29 A452 A454 G457 L463 D464H29-R460 VanDerWaalsContact CB-NH2 3.27Å; H29-R460 VanDerWaalsContact CD2-CZ 3.47Å; H29-R460 PolarHBondContact CD2-NE 3.04Å; H29-R460 PolarHBondContact CD2-NH1 3.44Å; H29-R460 PolarHBondContact CE1-NE 3.33Å; H29-R460 VanDerWaalsContact CG-NE 3.26Å; H29-R460 PolarHBondContact ND1-NE 3.3Å; H29-R460 PolarHBondContact ND1-NH2 3.4Å; H29-R460 PolarHBondContact NE2-NE 2.88Å; A452-R460 PolarHBondContact O-N 3.27Å; A454-R460 VanDerWaalsContact O-CB 3.3Å; A454-R460 WeakPolarHBondContact O-CB 3.3Å; G457-R460 WeakPolarHBondContact O-CB 3.31Å; G457-R460 PolarHBondContact O-N 2.98Å; R460-L463 PolarHBondContact O-N 3.46Å; R460-D464 IonicContact CZ-OD1 3.37Å; R460-D464 IonicContact CZ-OD2 3.43Å; R460-D464 IonicContact NH1-OD1 2.67Å; R460-D464 PolarHBondContact NH1-OD1 2.8Å; R460-D464 IonicContact NH1-OD2 3.37Å; R460-D464 IonicContact NH2-OD1 3.61Å; R460-D464 PolarHBondContact NH2-OD1 3.49Å; R460-D464 IonicContact NH2-OD2 2.68Å; R460-D464 PolarHBondContact O-N 3.15Å
461A97.4Very high96.3Very high54 Ų5454.8 Ų54.845%0.44630%0.301SS..Hα-helixtrans-64.3-39.4176.800000112.3G457 T458 D464 K465G457-A461 WeakPolarHBondContact O-CB 3.26Å; G457-A461 PolarHBondContact O-N 3.41Å; T458-A461 PolarHBondContact O-N 2.95Å; A461-D464 PolarHBondContact O-N 2.96Å; A461-K465 PolarHBondContact O-N 3.2Å
462S97.4Very high95.7Very high19 Ų1955.4 Ų55.413%0.13330%0.304CS..Hα-helixtrans-61.3-44.6174.3-179.60000111.9F248 C249 T458 S459 K465 L466F248-S462 VanDerWaalsContact CA-OG 3.29Å; F248-S462 WeakPolarHBondContact CA-OG 3.33Å; C249-S462 PolarHBondContact N-OG 3.19Å; C249-S462 WeakPolarHBondContact O-CB 3.08Å; C249-S462 PolarHBondContact O-OG 2.98Å; T458-S462 WeakPolarHBondContact O-CB 3.4Å; T458-S462 PolarHBondContact O-N 3.27Å; S459-S462 WeakPolarHBondContact O-CB 3.45Å; S459-S462 PolarHBondContact O-N 3.22Å; S462-K465 WeakPolarHBondContact O-CB 3.4Å; S462-K465 PolarHBondContact O-N 3.17Å; S462-L466 PolarHBondContact O-N 3.3Å
463L97.7Very high94.9Very high1 Ų158.9 Ų58.91%0.00533%0.328CS..Hα-helixtrans-62.1-43.8174.1178.562.6000112.5L25 I26 H29 V250 S459 R460 K465 L466 A467L25-L463 HydrophobicContact CD1-CD2 4.23Å; L25-L463 HydrophobicContact CD2-CD2 3.91Å; L25-L463 HydrophobicContact CG-CD2 3.6Å; I26-L463 HydrophobicContact CG1-CD1 3.83Å; H29-L463 HydrophobicContact CB-CD2 4.43Å; V250-L463 HydrophobicContact CG1-CB 4.24Å; S459-L463 PolarHBondContact O-N 3.2Å; R460-L463 PolarHBondContact O-N 3.46Å; L463-K465 VanDerWaalsContact C-N 3.31Å; L463-K465 PolarHBondContact O-N 3.03Å; L463-L466 WeakPolarHBondContact O-CB 3.42Å; L463-L466 PolarHBondContact O-N 2.75Å; L463-A467 PolarHBondContact O-N 2.98Å
464D97.2Very high94.8Very high62 Ų6259.2 Ų59.233%0.33233%0.331SS..Hα-helixtrans-64.5-36.8178.3-71.2-24.3000111.7H30 R460 A461 A467 K468H30-D464 IonicContact CE1-OD1 3.47Å; H30-D464 PolarHBondContact CE1-OD1 2.86Å; H30-D464 IonicContact NE2-OD1 3.91Å; H30-D464 PolarHBondContact NE2-OD1 2.92Å; H30-D464 VanDerWaalsContact NE2-OD1 3.09Å; R460-D464 IonicContact CZ-OD1 3.37Å; R460-D464 IonicContact CZ-OD2 3.43Å; R460-D464 IonicContact NH1-OD1 2.67Å; R460-D464 PolarHBondContact NH1-OD1 2.8Å; R460-D464 IonicContact NH1-OD2 3.37Å; R460-D464 IonicContact NH2-OD1 3.61Å; R460-D464 PolarHBondContact NH2-OD1 3.49Å; R460-D464 IonicContact NH2-OD2 2.68Å; R460-D464 PolarHBondContact O-N 3.15Å; A461-D464 PolarHBondContact O-N 2.96Å; D464-A467 PolarHBondContact O-N 3.12Å; D464-K468 WeakPolarHBondContact O-CB 3.26Å; D464-K468 PolarHBondContact O-N 3.45Å
465K97Very high94.7Very high121 Ų12159.6 Ų59.653%0.52633%0.327SS..Hα-helixtrans-61.8-45.5173.1-175.2-175.9174.5-173.60111F248 A461 S462 L463 K468 L469F248-K465 HydrophobicContact CD1-CD 4.47Å; F248-K465 HydrophobicContact CE1-CB 4.44Å; F248-K465 HydrophobicContact CE1-CD 3.88Å; F248-K465 HydrophobicContact CE1-CG 4.01Å; A461-K465 PolarHBondContact O-N 3.2Å; S462-K465 WeakPolarHBondContact O-CB 3.4Å; S462-K465 PolarHBondContact O-N 3.17Å; L463-K465 VanDerWaalsContact C-N 3.31Å; L463-K465 PolarHBondContact O-N 3.03Å; K465-K468 WeakPolarHBondContact O-CB 3.42Å; K465-K468 PolarHBondContact O-N 3.35Å; K465-L469 WeakPolarHBondContact O-CG 3.38Å; K465-L469 PolarHBondContact O-N 3.28Å
466L96.6Very high94.7Very high0 Ų052.1 Ų52.10%029%0.294CS..Hα-helixtrans-60.9-48177-177.766.5000111.5Y145 I222 F248 S462 L463 K468 L469 W470Y145-L466 HydrophobicContact CD1-CD1 3.83Å; Y145-L466 HydrophobicContact CE1-CD1 3.61Å; Y145-L466 HydrophobicContact CG-CD1 4.49Å; I222-L466 HydrophobicContact CD1-CD1 4.39Å; I222-L466 HydrophobicContact CD1-CD2 3.54Å; I222-L466 HydrophobicContact CG1-CD1 4.43Å; I222-L466 HydrophobicContact CG1-CD2 3.86Å; F248-L466 HydrophobicContact CD1-CB 4.15Å; F248-L466 HydrophobicContact CD2-CD1 4.17Å; F248-L466 HydrophobicContact CE1-CB 4.37Å; F248-L466 HydrophobicContact CE1-CD1 4.49Å; F248-L466 HydrophobicContact CE2-CD1 4.15Å; F248-L466 HydrophobicContact CG-CD1 4.36Å; F248-L466 HydrophobicContact CZ-CD1 4.32Å; S462-L466 PolarHBondContact O-N 3.3Å; L463-L466 WeakPolarHBondContact O-CB 3.42Å; L463-L466 PolarHBondContact O-N 2.75Å; L466-K468 VanDerWaalsContact C-N 3.28Å; L466-K468 PolarHBondContact O-N 2.96Å; L466-L469 WeakPolarHBondContact O-CB 3.2Å; L466-L469 PolarHBondContact O-N 3.48Å; L466-L469 VanDerWaalsContact O-N 3.11Å; L466-W470 HydrophobicContact CD1-CH2 4.47Å; L466-W470 HydrophobicContact CD1-CZ2 3.68Å; L466-W470 HydrophobicContact CD2-CH2 3.38Å; L466-W470 HydrophobicContact CD2-CZ2 3.37Å; L466-W470 HydrophobicContact CD2-CZ3 4.19Å; L466-W470 HydrophobicContact CG-CD2 4.16Å; L466-W470 HydrophobicContact CG-CE3 4.42Å; L466-W470 HydrophobicContact CG-CH2 3.67Å; L466-W470 HydrophobicContact CG-CZ2 3.35Å; L466-W470 HydrophobicContact CG-CZ3 4.19Å; L466-W470 PolarHBondContact O-N 2.98Å; L466-W470 VanDerWaalsContact O-N 3.14Å
467A96.3Very high94.7Very high0 Ų050.9 Ų50.90%027%0.268CS..Hα-helixtrans-63.6-32.3178.400000113.2H30 L463 D464 W470 K471H30-A467 WeakPolarHBondContact CD2-CB 3.07Å; H30-A467 WeakPolarHBondContact NE2-CB 3.4Å; L463-A467 PolarHBondContact O-N 2.98Å; D464-A467 PolarHBondContact O-N 3.12Å; A467-W470 PolarHBondContact O-N 3.49Å; A467-K471 WeakPolarHBondContact O-CG 3.41Å; A467-K471 PolarHBondContact O-N 2.64Å; A467-K471 VanDerWaalsContact O-N 3.11Å
468K95.9Very high94.6Very high134 Ų13453.5 Ų53.558%0.58328%0.278SS*.Hα-helixtrans-63.7-42.3173.1-176.2178.6176.8-178.40111.7D464 K465 L466 K471 Q472D464-K468 WeakPolarHBondContact O-CB 3.26Å; D464-K468 PolarHBondContact O-N 3.45Å; K465-K468 WeakPolarHBondContact O-CB 3.42Å; K465-K468 PolarHBondContact O-N 3.35Å; L466-K468 VanDerWaalsContact C-N 3.28Å; L466-K468 PolarHBondContact O-N 2.96Å; K468-K471 PolarHBondContact O-N 2.51Å; K468-Q472 VanDerWaalsContact O-CG 3.31Å; K468-Q472 WeakPolarHBondContact O-CG 3.45Å; K468-Q472 PolarHBondContact O-N 3.23Å
469L95.7Very high94.4Very high55 Ų5552.5 Ų52.529%0.28827%0.269SS..Hα-helixtrans-62.4-44.1176.8-65.8171.3000111.5F248 K465 L466 K471 Q472 S473F248-L469 HydrophobicContact CE1-CD1 4.09Å; F248-L469 HydrophobicContact CZ-CD1 3.58Å; K465-L469 WeakPolarHBondContact O-CG 3.38Å; K465-L469 PolarHBondContact O-N 3.28Å; L466-L469 WeakPolarHBondContact O-CB 3.2Å; L466-L469 PolarHBondContact O-N 3.48Å; L466-L469 VanDerWaalsContact O-N 3.11Å; L469-K471 VanDerWaalsContact C-N 3.33Å; L469-K471 PolarHBondContact O-N 3.01Å; L469-Q472 PolarHBondContact O-N 2.78Å; L469-Q472 VanDerWaalsContact O-N 3.17Å; L469-S473 PolarHBondContact O-N 3.06Å; L469-S473 PolarHBondContact O-OG 2.96Å
470W95Very high94.2Very high0 Ų056.1 Ų56.10%029%0.287CS..Hα-helixtrans-64.1-35.7178.1-62.3-21.8000113.4I5 I26 L33 K119 A120 V122 Y145 I222 L466 A467 Q472 S473I5-W470 HydrophobicContact CD1-CB 4.01Å; I5-W470 HydrophobicContact CD1-CD2 3.65Å; I5-W470 HydrophobicContact CD1-CE3 3.54Å; I5-W470 HydrophobicContact CD1-CG 3.91Å; I5-W470 HydrophobicContact CD1-CZ3 4.18Å; I5-W470 HydrophobicContact CG1-CD2 4.34Å; I5-W470 HydrophobicContact CG1-CE3 3.81Å; I5-W470 HydrophobicContact CG1-CZ3 3.96Å; I5-W470 HydrophobicContact CG2-CH2 4.23Å; I5-W470 HydrophobicContact CG2-CZ2 4.33Å; I5-W470 HydrophobicContact CG2-CZ3 4.44Å; I26-W470 HydrophobicContact CD1-CH2 3.68Å; I26-W470 HydrophobicContact CD1-CZ3 3.83Å; I26-W470 HydrophobicContact CG1-CH2 4.29Å; I26-W470 HydrophobicContact CG1-CZ3 4.09Å; I26-W470 HydrophobicContact CG2-CZ3 4.07Å; L33-W470 HydrophobicContact CD1-CE3 4.1Å; K119-W470 HydrophobicContact CB-CB 4.33Å; K119-W470 WeakPolarHBondContact CD-O 3.3Å; A120-W470 VanDerWaalsContact CB-CD1 3.44Å; A120-W470 HydrophobicContact CB-CD2 4.35Å; A120-W470 HydrophobicContact CB-CG 4.02Å; V122-W470 HydrophobicContact CG2-CH2 4.39Å; V122-W470 HydrophobicContact CG2-CZ2 3.86Å; Y145-W470 AromaticContact CD2-NE1 3.5Å; Y145-W470 AromaticContact CE2-CD1 3.59Å; Y145-W470 AromaticContact CE2-NE1 3.13Å; Y145-W470 AromaticContact CZ-CD1 3.99Å; Y145-W470 AromaticContact CZ-NE1 3.6Å; I222-W470 HydrophobicContact CD1-CZ2 4.32Å; L466-W470 HydrophobicContact CD1-CH2 4.47Å; L466-W470 HydrophobicContact CD1-CZ2 3.68Å; L466-W470 HydrophobicContact CD2-CH2 3.38Å; L466-W470 HydrophobicContact CD2-CZ2 3.37Å; L466-W470 HydrophobicContact CD2-CZ3 4.19Å; L466-W470 HydrophobicContact CG-CD2 4.16Å; L466-W470 HydrophobicContact CG-CE3 4.42Å; L466-W470 HydrophobicContact CG-CH2 3.67Å; L466-W470 HydrophobicContact CG-CZ2 3.35Å; L466-W470 HydrophobicContact CG-CZ3 4.19Å; L466-W470 PolarHBondContact O-N 2.98Å; L466-W470 VanDerWaalsContact O-N 3.14Å; A467-W470 PolarHBondContact O-N 3.49Å; W470-Q472 VanDerWaalsContact C-N 3.26Å; W470-Q472 PolarHBondContact O-N 3.21Å; W470-S473 PolarHBondContact O-N 3.11Å
471K88.9Confident94Very high98 Ų9858.1 Ų58.143%0.42630%0.3SS..Hα-helixtrans-70.1-23.7176.8-73.5172.5-178.7175.60113.2A467 K468 L469A467-K471 WeakPolarHBondContact O-CG 3.41Å; A467-K471 PolarHBondContact O-N 2.64Å; A467-K471 VanDerWaalsContact O-N 3.11Å; K468-K471 PolarHBondContact O-N 2.51Å; L469-K471 VanDerWaalsContact C-N 3.33Å; L469-K471 PolarHBondContact O-N 3.01Å
472Q86.3Confident93.7Very high134 Ų13458.4 Ų58.463%0.62629%0.288SS*.Hα-helixtrans-86.7-20.1178.8-69.8172.7-12.400113.4K468 L469 W470K468-Q472 VanDerWaalsContact O-CG 3.31Å; K468-Q472 WeakPolarHBondContact O-CG 3.45Å; K468-Q472 PolarHBondContact O-N 3.23Å; L469-Q472 PolarHBondContact O-N 2.78Å; L469-Q472 VanDerWaalsContact O-N 3.17Å; W470-Q472 VanDerWaalsContact C-N 3.26Å; W470-Q472 PolarHBondContact O-N 3.21Å
473S80.3Confident93.3Very high77 Ų7762 Ų6254%0.53830%0.302SS..  trans-75.50173.1-52.40000110.3K119 L469 W470K119-S473 WeakPolarHBondContact CD-OXT 3.4Å; K119-S473 PolarHBondContact NZ-OXT 3.2Å; L469-S473 PolarHBondContact O-N 3.06Å; L469-S473 PolarHBondContact O-OG 2.96Å; W470-S473 PolarHBondContact O-N 3.11Å

Retrieved 473 of 473 residues in 114.7 ms (Link to these results)

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