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Acidic leucine-rich nuclear phosphoprotein 32-related protein

AlphaFold DB , UniProt , Accession Q86QS6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene SMV0119, Length 275 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
1M90.4Very high95.4Very high112 Ų11267.1 Ų67.155%0.55232%0.322SS*.  0135.80-174.3172.5-82.100107.5Q5 R6 L9 K28M1-Q5 HydrophobicContact CG-CB 3.51Å; M1-Q5 HydrophobicContact SD-CB 4.39Å; M1-R6 HydrophobicContact CG-CB 4.35Å; M1-R6 HydrophobicContact SD-CB 4.01Å; M1-L9 HydrophobicContact CE-CD1 3.8Å; M1-L9 HydrophobicContact SD-CD1 4.28Å; M1-K28 PolarHBondContact O-N 3.2Å; M1-K28 VanDerWaalsContact O-N 3.14Å
2T95.8Very high95.2Very high56 Ų5665.7 Ų65.734%0.34434%0.338SS..BIsolated β-bridgetrans-72.6162.4174.366.20000110.4L4 Q5 R6T2-L4 VanDerWaalsContact C-N 3.31Å; T2-L4 PolarHBondContact O-N 2.99Å; T2-Q5 PolarHBondContact O-N 2.7Å; T2-Q5 WeakPolarHBondContact OG1-CB 3.2Å; T2-Q5 VanDerWaalsContact OG1-CG 3.23Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.41Å; T2-Q5 PolarHBondContact OG1-N 3.47Å; T2-R6 PolarHBondContact O-N 3.25Å
3L95.5Very high95.1Very high0 Ų076.8 Ų76.80%038%0.382CS..Hα-helixtrans-58-45.4175.3-176.267.5000111.1Q5 R6 I7 L24 S27 K28 E33 V50L3-Q5 PolarHBondContact O-N 2.92Å; L3-R6 WeakPolarHBondContact O-CB 3.33Å; L3-R6 PolarHBondContact O-N 2.62Å; L3-R6 VanDerWaalsContact O-N 3.09Å; L3-I7 HydrophobicContact CG-CD1 4.25Å; L3-I7 WeakPolarHBondContact O-CG1 3.4Å; L3-I7 PolarHBondContact O-N 3.28Å; L3-L24 HydrophobicContact CD1-CB 3.79Å; L3-L24 HydrophobicContact CD1-CD1 3.72Å; L3-L24 HydrophobicContact CD1-CG 4.32Å; L3-S27 WeakPolarHBondContact CD1-OG 3.17Å; L3-K28 PolarHBondContact N-O 3.42Å; L3-E33 HydrophobicContact CB-CG 4.13Å; L3-E33 HydrophobicContact CD2-CG 4.04Å; L3-E33 HydrophobicContact CG-CG 4.47Å; L3-V50 HydrophobicContact CD1-CG1 4.14Å
4L95.2Very high95.2Very high75 Ų7579.5 Ų79.539%0.39339%0.386SS..Hα-helixtrans-58.4-45.2176.7-174.566.2000113T2 R6 I7 E8T2-L4 VanDerWaalsContact C-N 3.31Å; T2-L4 PolarHBondContact O-N 2.99Å; L4-R6 VanDerWaalsContact C-N 3.27Å; L4-R6 PolarHBondContact O-N 3.33Å; L4-I7 PolarHBondContact O-N 2.98Å; L4-E8 WeakPolarHBondContact O-CG 3.25Å; L4-E8 PolarHBondContact O-N 3.13Å; L4-E8 VanDerWaalsContact O-N 3.07Å
5Q96.3Very high95.2Very high98 Ų9882.9 Ų82.946%0.45840%0.401SS..Hα-helixtrans-62.6-35.9176.6-74.5170.6-18.100111.9M1 T2 L3 E8 L9M1-Q5 HydrophobicContact CG-CB 3.51Å; M1-Q5 HydrophobicContact SD-CB 4.39Å; T2-Q5 PolarHBondContact O-N 2.7Å; T2-Q5 WeakPolarHBondContact OG1-CB 3.2Å; T2-Q5 VanDerWaalsContact OG1-CG 3.23Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.41Å; T2-Q5 PolarHBondContact OG1-N 3.47Å; L3-Q5 PolarHBondContact O-N 2.92Å; Q5-E8 PolarHBondContact O-N 3.28Å; Q5-L9 WeakPolarHBondContact O-CB 3.18Å; Q5-L9 PolarHBondContact O-N 2.86Å; Q5-L9 VanDerWaalsContact O-N 3.12Å
6R97.3Very high95.3Very high59 Ų5978.2 Ų78.222%0.22338%0.379CS..Hα-helixtrans-68.9-41.5177.8-173.159.3-176.6-102.24.7111.2M1 T2 L3 L4 E8 L9 E10 N23 L24 D25M1-R6 HydrophobicContact CG-CB 4.35Å; M1-R6 HydrophobicContact SD-CB 4.01Å; T2-R6 PolarHBondContact O-N 3.25Å; L3-R6 WeakPolarHBondContact O-CB 3.33Å; L3-R6 PolarHBondContact O-N 2.62Å; L3-R6 VanDerWaalsContact O-N 3.09Å; L4-R6 VanDerWaalsContact C-N 3.27Å; L4-R6 PolarHBondContact O-N 3.33Å; R6-E8 VanDerWaalsContact C-N 3.34Å; R6-E8 PolarHBondContact O-N 2.75Å; R6-L9 WeakPolarHBondContact O-CB 3.43Å; R6-L9 PolarHBondContact O-N 2.9Å; R6-E10 HydrophobicContact CG-CG 4.29Å; R6-E10 IonicContact CZ-OE1 2.79Å; R6-E10 IonicContact NE-OE1 2.77Å; R6-E10 PolarHBondContact NE-OE1 3.29Å; R6-E10 IonicContact NH2-OE1 3.93Å; R6-E10 PolarHBondContact NH2-OE1 2.78Å; R6-E10 WeakPolarHBondContact O-CG 3.33Å; R6-E10 PolarHBondContact O-N 3.42Å; R6-N23 PolarHBondContact NE-O 3.3Å; R6-L24 HydrophobicContact CB-CD2 4.34Å; R6-L24 HydrophobicContact CG-CB 4.48Å; R6-L24 HydrophobicContact CG-CD2 3.9Å; R6-D25 PolarHBondContact NH1-O 3.15Å; R6-D25 VanDerWaalsContact NH1-O 3.13Å
7I96.6Very high95.3Very high3 Ų375.1 Ų75.12%0.01537%0.372CS..Hα-helixtrans-57.4-47.3174.4-68.6167000110.9L3 L4 L9 E10 R11 L24 E33 L35 Y39L3-I7 HydrophobicContact CG-CD1 4.25Å; L3-I7 WeakPolarHBondContact O-CG1 3.4Å; L3-I7 PolarHBondContact O-N 3.28Å; L4-I7 PolarHBondContact O-N 2.98Å; I7-L9 VanDerWaalsContact C-N 3.28Å; I7-L9 PolarHBondContact O-N 3.11Å; I7-E10 PolarHBondContact O-N 3.22Å; I7-R11 VanDerWaalsContact O-CB 3.26Å; I7-R11 WeakPolarHBondContact O-CB 3.48Å; I7-R11 PolarHBondContact O-N 3.06Å; I7-L24 HydrophobicContact CB-CD2 4.39Å; I7-L24 HydrophobicContact CD1-CD1 4.1Å; I7-L24 HydrophobicContact CG1-CD1 3.64Å; I7-L24 HydrophobicContact CG1-CD2 3.6Å; I7-L24 HydrophobicContact CG1-CG 4.3Å; I7-E33 WeakPolarHBondContact CD1-O 3.47Å; I7-L35 HydrophobicContact CD1-CD2 3.88Å; I7-L35 HydrophobicContact CD1-CG 4Å; I7-L35 HydrophobicContact CG1-CD2 4.32Å; I7-Y39 WeakPolarHBondContact CG2-OH 3.43Å
8E95.7Very high95.3Very high105 Ų10577.9 Ų77.949%0.49138%0.384SS..Hα-helixtrans-60.2-38.8177.8-70.8177.4167.800112.3L4 Q5 R6 G12L4-E8 WeakPolarHBondContact O-CG 3.25Å; L4-E8 PolarHBondContact O-N 3.13Å; L4-E8 VanDerWaalsContact O-N 3.07Å; Q5-E8 PolarHBondContact O-N 3.28Å; R6-E8 VanDerWaalsContact C-N 3.34Å; R6-E8 PolarHBondContact O-N 2.75Å; E8-G12 PolarHBondContact O-N 3.07Å; E8-G12 VanDerWaalsContact O-N 3.16Å
9L96.2Very high95.4Very high103 Ų10373.8 Ų73.854%0.53936%0.364SS..Hα-helixtrans-67.7-48.7178-175148.9000112.3M1 Q5 R6 I7 G12M1-L9 HydrophobicContact CE-CD1 3.8Å; M1-L9 HydrophobicContact SD-CD1 4.28Å; Q5-L9 WeakPolarHBondContact O-CB 3.18Å; Q5-L9 PolarHBondContact O-N 2.86Å; Q5-L9 VanDerWaalsContact O-N 3.12Å; R6-L9 WeakPolarHBondContact O-CB 3.43Å; R6-L9 PolarHBondContact O-N 2.9Å; I7-L9 VanDerWaalsContact C-N 3.28Å; I7-L9 PolarHBondContact O-N 3.11Å; L9-G12 PolarHBondContact O-N 3.43Å
10E95.7Very high95.5Very high51 Ų5173.6 Ų73.624%0.23837%0.367CS..Hα-helixtrans-68.6-36.8-178.8-68-64.1150.900112.7R6 I7 R14 L22 N23 L24R6-E10 HydrophobicContact CG-CG 4.29Å; R6-E10 IonicContact CZ-OE1 2.79Å; R6-E10 IonicContact NE-OE1 2.77Å; R6-E10 PolarHBondContact NE-OE1 3.29Å; R6-E10 IonicContact NH2-OE1 3.93Å; R6-E10 PolarHBondContact NH2-OE1 2.78Å; R6-E10 WeakPolarHBondContact O-CG 3.33Å; R6-E10 PolarHBondContact O-N 3.42Å; I7-E10 PolarHBondContact O-N 3.22Å; E10-R14 PolarHBondContact O-NH2 3.37Å; E10-L22 HydrophobicContact CB-CD1 3.55Å; E10-L22 HydrophobicContact CG-CD1 4.38Å; E10-N23 VanDerWaalsContact CD-O 3.29Å; E10-N23 WeakPolarHBondContact CG-O 3.28Å; E10-L24 HydrophobicContact CG-CD2 4.22Å
11R94.3Very high95.6Very high76 Ų7674.5 Ų74.529%0.28737%0.37SS..Hα-helixtrans-66.4-41.7175.4174.2174.273-175.30.4111.5I7 K13 R14 I19I7-R11 VanDerWaalsContact O-CB 3.26Å; I7-R11 WeakPolarHBondContact O-CB 3.48Å; I7-R11 PolarHBondContact O-N 3.06Å; R11-K13 PolarHBondContact O-N 3.35Å; R11-R14 WeakPolarHBondContact CD-O 3.07Å; R11-R14 WeakPolarHBondContact CG-O 3.39Å; R11-R14 WeakPolarHBondContact O-CB 3.41Å; R11-R14 PolarHBondContact O-N 3.38Å; R11-R14 VanDerWaalsContact O-N 3.15Å; R11-R14 PolarHBondContact O-NE 2.85Å; R11-I19 HydrophobicContact CB-CD1 3.72Å; R11-I19 HydrophobicContact CG-CD1 3.69Å
12G93.8Very high96Very high50 Ų5069.5 Ų69.552%0.51535%0.345SS..THydrogen-bonded Turntrans58.2-120.2-173.800000111.3E8 L9E8-G12 PolarHBondContact O-N 3.07Å; E8-G12 VanDerWaalsContact O-N 3.16Å; L9-G12 PolarHBondContact O-N 3.43Å
13K93.9Very high96.1Very high210 Ų21069.8 Ų69.891%0.91335%0.345SS*.THydrogen-bonded Turntrans-98.9-1.1179.7-62.9-178.2-177.9175.10114.3R11R11-K13 PolarHBondContact O-N 3.35Å
14R96.1Very high96.2Very high115 Ų11569.8 Ų69.843%0.43435%0.345SS..SBendtrans-73.1149-179.7-64.5179.1-71.2180-0.9110.1E10 R11 I19E10-R14 PolarHBondContact O-NH2 3.37Å; R11-R14 WeakPolarHBondContact CD-O 3.07Å; R11-R14 WeakPolarHBondContact CG-O 3.39Å; R11-R14 WeakPolarHBondContact O-CB 3.41Å; R11-R14 PolarHBondContact O-N 3.38Å; R11-R14 VanDerWaalsContact O-N 3.15Å; R11-R14 PolarHBondContact O-NE 2.85Å; R14-I19 HydrophobicContact CB-CG1 4.33Å
15E95.3Very high96.3Very high130 Ų13066.7 Ų66.761%0.60733%0.329SS*.  trans-73.9146.7170.3-67.2-62.1151.300109.6G17 E18E15-G17 PolarHBondContact O-N 3.17Å; E15-G17 VanDerWaalsContact O-N 3.11Å; E15-E18 HydrophobicContact CB-CG 4.26Å; E15-E18 PolarHBondContact N-OE2 3.16Å; E15-E18 PolarHBondContact O-N 3.41Å
16P96.1Very high96.3Very high8 Ų867.2 Ų67.25%0.05234%0.335CS..G310 helixtrans-51.2-37.7-179.4-28.835.6000114E18 I19 E38 Y39P16-E18 PolarHBondContact O-N 3.36Å; P16-I19 PolarHBondContact O-N 3.2Å; P16-E38 CarbonylContact C-O 3.29Å; P16-E38 HydrophobicContact CB-CB 3.92Å; P16-E38 HydrophobicContact CG-CB 4.49Å; P16-Y39 HydrophobicContact CB-CD1 4.06Å; P16-Y39 HydrophobicContact CB-CD2 4.21Å; P16-Y39 HydrophobicContact CB-CE1 3.98Å; P16-Y39 HydrophobicContact CB-CE2 4.13Å; P16-Y39 HydrophobicContact CB-CG 4.18Å
17G96.2Very high96.3Very high25 Ų2564.6 Ų64.626%0.25833%0.325SS..G310 helixtrans-72.2-9.7-179.500000115.2E15 E38 S41E15-G17 PolarHBondContact O-N 3.17Å; E15-G17 VanDerWaalsContact O-N 3.11Å; G17-E38 WeakPolarHBondContact CA-O 3.48Å; G17-E38 PolarHBondContact N-O 2.7Å; G17-S41 WeakPolarHBondContact O-CB 3.11Å; G17-S41 PolarHBondContact O-OG 3.47Å
18E95.6Very high96.3Very high126 Ų12671.8 Ų71.859%0.58936%0.356SS*.G310 helixtrans-94-10.3177.1-61.6177.6147.500112.5E15 P16E15-E18 HydrophobicContact CB-CG 4.26Å; E15-E18 PolarHBondContact N-OE2 3.16Å; E15-E18 PolarHBondContact O-N 3.41Å; P16-E18 PolarHBondContact O-N 3.36Å
19I97.2Very high96.3Very high0 Ų067.9 Ų67.90%034%0.341CS..  trans-83.8121.3-175.6-63.4174.5000109.7R11 R14 P16 E21 L22 Y39 S41 L42R11-I19 HydrophobicContact CB-CD1 3.72Å; R11-I19 HydrophobicContact CG-CD1 3.69Å; R14-I19 HydrophobicContact CB-CG1 4.33Å; P16-I19 PolarHBondContact O-N 3.2Å; I19-E21 WeakPolarHBondContact CG2-O 3.29Å; I19-L22 HydrophobicContact CG2-CB 4.4Å; I19-L22 HydrophobicContact CG2-CD1 4.24Å; I19-Y39 HydrophobicContact CB-CD1 4.42Å; I19-Y39 HydrophobicContact CD1-CD1 4.37Å; I19-Y39 HydrophobicContact CD1-CE1 3.91Å; I19-S41 CarbonylContact O-C 3.58Å; I19-S41 VanDerWaalsContact O-C 3.29Å; I19-L42 HydrophobicContact CG2-CD1 3.89Å; I19-L42 VanDerWaalsContact O-CA 3.28Å; I19-L42 WeakPolarHBondContact O-CA 3.39Å; I19-L42 PolarHBondContact O-N 2.92Å; I19-L42 VanDerWaalsContact O-N 3.15Å
20T97.6Very high96.2Very high70 Ų7066.5 Ų66.543%0.42934%0.336SS..SBendtrans-96.5-26.3175.255.70000112.9S41 E43 V44T20-S41 WeakPolarHBondContact CA-O 3.5Å; T20-E43 PolarHBondContact O-N 3.08Å; T20-V44 PolarHBondContact O-N 3.02Å; T20-V44 VanDerWaalsContact O-N 3.09Å
21E97.9Very high96.2Very high93 Ų9367.3 Ų67.344%0.43534%0.343SS..EExtended strand (participates in β ladder)trans-138.2138.6-178.5-55-173-174.800110.9I19 V44I19-E21 WeakPolarHBondContact CG2-O 3.29Å; E21-V44 WeakPolarHBondContact CA-O 3.37Å; E21-V44 HydrophobicContact CB-CB 4.3Å; E21-V44 HydrophobicContact CG-CB 3.96Å; E21-V44 HydrophobicContact CG-CG2 4.13Å
22L97.4Very high96.3Very high6 Ų664.2 Ų64.23%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-139.1117.7-180-163.373.9000110.7E10 I19 L24 L35 Y39 L42 V44 L45 S46E10-L22 HydrophobicContact CB-CD1 3.55Å; E10-L22 HydrophobicContact CG-CD1 4.38Å; I19-L22 HydrophobicContact CG2-CB 4.4Å; I19-L22 HydrophobicContact CG2-CD1 4.24Å; L22-L24 HydrophobicContact CD1-CD2 4.29Å; L22-L24 HydrophobicContact CD2-CD1 3.74Å; L22-L24 HydrophobicContact CD2-CD2 3.83Å; L22-L24 HydrophobicContact CD2-CG 3.87Å; L22-L24 HydrophobicContact CG-CD1 4.33Å; L22-L24 HydrophobicContact CG-CD2 3.7Å; L22-L24 HydrophobicContact CG-CG 3.89Å; L22-L35 HydrophobicContact CD2-CD2 3.7Å; L22-Y39 HydrophobicContact CD2-CE1 4.48Å; L22-L42 HydrophobicContact CB-CD1 3.73Å; L22-V44 PolarHBondContact N-O 3.09Å; L22-L45 HydrophobicContact CB-CD1 4.06Å; L22-L45 HydrophobicContact CD2-CD1 4.09Å; L22-L45 HydrophobicContact CG-CD1 4.45Å; L22-S46 PolarHBondContact O-N 3.05Å
23N97.6Very high96.4Very high62 Ų6265.9 Ų65.933%0.33233%0.326SS..EExtended strand (participates in β ladder)trans-101.9108.3174.5-175.3-42.8000110.6R6 E10 D25R6-N23 PolarHBondContact NE-O 3.3Å; E10-N23 VanDerWaalsContact CD-O 3.29Å; E10-N23 WeakPolarHBondContact CG-O 3.28Å; N23-D25 VanDerWaalsContact CG-OD2 3.3Å; N23-D25 PolarHBondContact ND2-OD2 3.23Å; N23-D25 VanDerWaalsContact OD1-CB 3.25Å; N23-D25 WeakPolarHBondContact OD1-CB 3.42Å; N23-D25 PolarHBondContact OD1-N 3.15Å; N23-D25 PolarHBondContact OD1-OD2 3.12Å
24L97.7Very high96.4Very high0 Ų057.5 Ų57.50%030%0.299CS..  trans-109.719.2-179.8-54.6-177.2000112.7L3 R6 I7 E10 L22 S27 L35 L45 S46 M47 V50L3-L24 HydrophobicContact CD1-CB 3.79Å; L3-L24 HydrophobicContact CD1-CD1 3.72Å; L3-L24 HydrophobicContact CD1-CG 4.32Å; R6-L24 HydrophobicContact CB-CD2 4.34Å; R6-L24 HydrophobicContact CG-CB 4.48Å; R6-L24 HydrophobicContact CG-CD2 3.9Å; I7-L24 HydrophobicContact CB-CD2 4.39Å; I7-L24 HydrophobicContact CD1-CD1 4.1Å; I7-L24 HydrophobicContact CG1-CD1 3.64Å; I7-L24 HydrophobicContact CG1-CD2 3.6Å; I7-L24 HydrophobicContact CG1-CG 4.3Å; E10-L24 HydrophobicContact CG-CD2 4.22Å; L22-L24 HydrophobicContact CD1-CD2 4.29Å; L22-L24 HydrophobicContact CD2-CD1 3.74Å; L22-L24 HydrophobicContact CD2-CD2 3.83Å; L22-L24 HydrophobicContact CD2-CG 3.87Å; L22-L24 HydrophobicContact CG-CD1 4.33Å; L22-L24 HydrophobicContact CG-CD2 3.7Å; L22-L24 HydrophobicContact CG-CG 3.89Å; L24-S27 WeakPolarHBondContact O-CB 3.5Å; L24-S27 PolarHBondContact O-N 3.24Å; L24-S27 PolarHBondContact O-OG 3.17Å; L24-L35 HydrophobicContact CD1-CD1 4.48Å; L24-L35 HydrophobicContact CD1-CD2 4.35Å; L24-L45 HydrophobicContact CD1-CD1 4.01Å; L24-L45 HydrophobicContact CG-CD1 4.32Å; L24-S46 WeakPolarHBondContact CA-O 3.49Å; L24-S46 WeakPolarHBondContact CB-O 3.22Å; L24-S46 PolarHBondContact N-O 3.25Å; L24-M47 HydrophobicContact CB-CG 3.97Å; L24-M47 HydrophobicContact CD1-CG 4.1Å; L24-M47 HydrophobicContact CD1-SD 4.3Å; L24-M47 HydrophobicContact CG-CG 4.49Å; L24-V50 WeakPolarHBondContact O-CG2 3.32Å
25D97.8Very high96.4Very high11 Ų1152.7 Ų52.76%0.05928%0.282CS..THydrogen-bonded Turntrans-62149.8-174.1-56.9-25000111.7R6 N23 S27 S46 M47 M48R6-D25 PolarHBondContact NH1-O 3.15Å; R6-D25 VanDerWaalsContact NH1-O 3.13Å; N23-D25 VanDerWaalsContact CG-OD2 3.3Å; N23-D25 PolarHBondContact ND2-OD2 3.23Å; N23-D25 VanDerWaalsContact OD1-CB 3.25Å; N23-D25 WeakPolarHBondContact OD1-CB 3.42Å; N23-D25 PolarHBondContact OD1-N 3.15Å; N23-D25 PolarHBondContact OD1-OD2 3.12Å; D25-S27 PolarHBondContact O-N 3.25Å; D25-S46 VanDerWaalsContact CG-OG 3.29Å; D25-S46 VanDerWaalsContact OD1-C 3.29Å; D25-S46 VanDerWaalsContact OD1-CB 3.31Å; D25-S46 WeakPolarHBondContact OD1-CB 3.25Å; D25-S46 PolarHBondContact OD1-OG 3.01Å; D25-S46 PolarHBondContact OD2-OG 3.4Å; D25-M47 PolarHBondContact OD1-N 2.96Å; D25-M48 CarbonylContact C-O 3.3Å; D25-M48 VanDerWaalsContact CA-O 3.28Å; D25-M48 WeakPolarHBondContact CA-O 2.84Å; D25-M48 HydrophobicContact CB-CB 4.25Å; D25-M48 WeakPolarHBondContact OD1-CB 3.29Å; D25-M48 PolarHBondContact OD1-N 3.37Å; D25-M48 WeakPolarHBondContact OD2-CE 3.17Å
26N97.3Very high96.4Very high108 Ų10849 Ų4958%0.57827%0.268SS*.THydrogen-bonded Turntrans57.719177-52.7-72.4000114.1M48 N49N26-M48 PolarHBondContact N-O 3.42Å; N26-N49 WeakPolarHBondContact CA-O 3.34Å; N26-N49 PolarHBondContact OD1-ND2 2.82Å
27S96.7Very high96.4Very high4 Ų454.1 Ų54.13%0.02830%0.295CS..  trans-79-178.1165.567.40000110.3L3 L24 D25 V50L3-S27 WeakPolarHBondContact CD1-OG 3.17Å; L24-S27 WeakPolarHBondContact O-CB 3.5Å; L24-S27 PolarHBondContact O-N 3.24Å; L24-S27 PolarHBondContact O-OG 3.17Å; D25-S27 PolarHBondContact O-N 3.25Å; S27-V50 WeakPolarHBondContact O-CA 3.47Å; S27-V50 WeakPolarHBondContact OG-CG2 3.24Å
28K95.7Very high96.4Very high154 Ų15458.7 Ų58.767%0.6731%0.31SS*.BIsolated β-bridgetrans-129.3116.5-178.2-63.6-173.9179.3-1740110M1 L3 V50M1-K28 PolarHBondContact O-N 3.2Å; M1-K28 VanDerWaalsContact O-N 3.14Å; L3-K28 PolarHBondContact N-O 3.42Å; K28-V50 WeakPolarHBondContact CA-O 2.81Å
29S95.8Very high96.5Very high23 Ų2352.8 Ų52.816%0.16128%0.282CS..  trans-160.7153.1167.1-164.70000111.8D31 V50 G51 L52S29-D31 VanDerWaalsContact CB-O 3.29Å; S29-D31 WeakPolarHBondContact CB-O 3.48Å; S29-D31 PolarHBondContact OG-O 2.8Å; S29-V50 PolarHBondContact N-O 3.12Å; S29-G51 CarbonylContact O-C 3.42Å; S29-L52 PolarHBondContact O-N 3.47Å
30V95.3Very high96.4Very high74 Ų7456.6 Ų56.645%0.44831%0.308SS..SBendtrans-87.3-35.6174.1177.30000111.3L52 Q53V30-L52 WeakPolarHBondContact O-CA 3.4Å; V30-Q53 HydrophobicContact CG1-CB 4.19Å; V30-Q53 HydrophobicContact CG1-CG 4.05Å; V30-Q53 PolarHBondContact O-N 3.3Å
31D94.9Very high96.4Very high69 Ų6955.6 Ų55.637%0.36931%0.305SS..SBendtrans-128.3167.7178.1-64.2-52.5000109.9S29 E33 S54 A56S29-D31 VanDerWaalsContact CB-O 3.29Å; S29-D31 WeakPolarHBondContact CB-O 3.48Å; S29-D31 PolarHBondContact OG-O 2.8Å; D31-E33 PolarHBondContact O-N 2.97Å; D31-S54 PolarHBondContact OD1-OG 2.76Å; D31-A56 HydrophobicContact CB-CB 4.48Å
32I96.7Very high96.4Very high10 Ų1051.2 Ų51.25%0.05128%0.284CS..  trans-76.7123.5178.7-62.8164.6000108.9L35 M47 L52 L55 A56 G57 L58I32-L35 HydrophobicContact CG2-CB 4.22Å; I32-L35 HydrophobicContact CG2-CD1 3.84Å; I32-L35 HydrophobicContact CG2-CG 4.25Å; I32-M47 HydrophobicContact CD1-CE 3.91Å; I32-M47 HydrophobicContact CG1-CE 4.19Å; I32-M47 HydrophobicContact CG1-SD 4.28Å; I32-L52 HydrophobicContact CG1-CD1 4.09Å; I32-L52 HydrophobicContact CG1-CD2 4.06Å; I32-L55 HydrophobicContact CD1-CD2 4.19Å; I32-A56 WeakPolarHBondContact CB-O 3.3Å; I32-A56 PolarHBondContact N-O 2.98Å; I32-G57 WeakPolarHBondContact O-CA 3.49Å; I32-L58 HydrophobicContact CD1-CB 3.81Å; I32-L58 HydrophobicContact CD1-CD1 3.77Å; I32-L58 HydrophobicContact CD1-CG 4.34Å
33E95.1Very high96.4Very high86 Ų8654.4 Ų54.440%0.40230%0.299SS..  trans-132.1151.7178.559.2172.1-158.200110.7L3 I7 D31 L35L3-E33 HydrophobicContact CB-CG 4.13Å; L3-E33 HydrophobicContact CD2-CG 4.04Å; L3-E33 HydrophobicContact CG-CG 4.47Å; I7-E33 WeakPolarHBondContact CD1-O 3.47Å; D31-E33 PolarHBondContact O-N 2.97Å; E33-L35 PolarHBondContact O-N 3.09Å
34G93.7Very high96.5Very high33 Ų3352.5 Ų52.534%0.3429%0.289SS..SBendtrans80.1-14.5176.200000116.2
35L96.1Very high96.5Very high14 Ų1452.5 Ų52.57%0.07329%0.289CS..  trans-82.2138.6169.3-63.8-179.1000110.9I7 L22 L24 I32 E33 Y39 L45 M47 P59I7-L35 HydrophobicContact CD1-CD2 3.88Å; I7-L35 HydrophobicContact CD1-CG 4Å; I7-L35 HydrophobicContact CG1-CD2 4.32Å; L22-L35 HydrophobicContact CD2-CD2 3.7Å; L24-L35 HydrophobicContact CD1-CD1 4.48Å; L24-L35 HydrophobicContact CD1-CD2 4.35Å; I32-L35 HydrophobicContact CG2-CB 4.22Å; I32-L35 HydrophobicContact CG2-CD1 3.84Å; I32-L35 HydrophobicContact CG2-CG 4.25Å; E33-L35 PolarHBondContact O-N 3.09Å; L35-Y39 HydrophobicContact CD2-CD2 4.35Å; L35-Y39 HydrophobicContact CD2-CE2 4.1Å; L35-L45 HydrophobicContact CD1-CD1 4.39Å; L35-L45 HydrophobicContact CD1-CD2 3.8Å; L35-M47 HydrophobicContact CD1-SD 4.32Å; L35-P59 HydrophobicContact CB-CG 3.91Å
36T96.1Very high96.5Very high54 Ų5452.5 Ų52.533%0.33129%0.29SS..  trans-129.4173.3177.761.50000110.1E38 Y39 P59T36-E38 PolarHBondContact O-N 2.86Å; T36-E38 WeakPolarHBondContact OG1-CB 3.29Å; T36-E38 PolarHBondContact OG1-N 3.5Å; T36-Y39 WeakPolarHBondContact O-CD2 3.48Å; T36-P59 WeakPolarHBondContact O-CG 3.35Å
37D95.8Very high96.6Very high114 Ų11447.4 Ų47.461%0.6126%0.263SS*.THydrogen-bonded Turntrans-73-4.7171.756.2-16.5000113.3Y39D37-Y39 PolarHBondContact O-N 2.75Å
38E96.8Very high96.7Very high121 Ų12150 Ų5057%0.56528%0.276SS*.THydrogen-bonded Turntrans-69.3-18.1174.5-59.5-179.8164.900113.1P16 G17 T36 S40P16-E38 CarbonylContact C-O 3.29Å; P16-E38 HydrophobicContact CB-CB 3.92Å; P16-E38 HydrophobicContact CG-CB 4.49Å; G17-E38 WeakPolarHBondContact CA-O 3.48Å; G17-E38 PolarHBondContact N-O 2.7Å; T36-E38 PolarHBondContact O-N 2.86Å; T36-E38 WeakPolarHBondContact OG1-CB 3.29Å; T36-E38 PolarHBondContact OG1-N 3.5Å; E38-S40 PolarHBondContact O-N 3.38Å
39Y97Very high96.8Very high3 Ų346.8 Ų46.81%0.01227%0.266CS..  trans-75.752.3173.4-66.5-91.3000111.3I7 P16 I19 L22 L35 T36 D37 S41 L42I7-Y39 WeakPolarHBondContact CG2-OH 3.43Å; P16-Y39 HydrophobicContact CB-CD1 4.06Å; P16-Y39 HydrophobicContact CB-CD2 4.21Å; P16-Y39 HydrophobicContact CB-CE1 3.98Å; P16-Y39 HydrophobicContact CB-CE2 4.13Å; P16-Y39 HydrophobicContact CB-CG 4.18Å; I19-Y39 HydrophobicContact CB-CD1 4.42Å; I19-Y39 HydrophobicContact CD1-CD1 4.37Å; I19-Y39 HydrophobicContact CD1-CE1 3.91Å; L22-Y39 HydrophobicContact CD2-CE1 4.48Å; L35-Y39 HydrophobicContact CD2-CD2 4.35Å; L35-Y39 HydrophobicContact CD2-CE2 4.1Å; T36-Y39 WeakPolarHBondContact O-CD2 3.48Å; D37-Y39 PolarHBondContact O-N 2.75Å; Y39-S41 VanDerWaalsContact C-N 3.26Å; Y39-S41 PolarHBondContact O-N 3.11Å; Y39-L42 WeakPolarHBondContact O-CB 3.26Å; Y39-L42 PolarHBondContact O-N 3.28Å
40S95.7Very high96.9Very high79 Ų7946 Ų4655%0.55226%0.26SS*.THydrogen-bonded Turntrans-67.7-23-168.759.80000114.5E38E38-S40 PolarHBondContact O-N 3.38Å
41S96.7Very high97Very high50 Ų5043.9 Ų43.935%0.3525%0.253SS..THydrogen-bonded Turntrans-98.91.4-179-53.40000113.1G17 I19 T20 Y39 E43G17-S41 WeakPolarHBondContact O-CB 3.11Å; G17-S41 PolarHBondContact O-OG 3.47Å; I19-S41 CarbonylContact O-C 3.58Å; I19-S41 VanDerWaalsContact O-C 3.29Å; T20-S41 WeakPolarHBondContact CA-O 3.5Å; Y39-S41 VanDerWaalsContact C-N 3.26Å; Y39-S41 PolarHBondContact O-N 3.11Å; S41-E43 PolarHBondContact O-N 2.72Å
42L98.2Very high97.1Very high0 Ų040.6 Ų40.60%024%0.235CC..  trans-68.7119-176-170.272.4000110.2I19 L22 Y39 V44 L45 L61 G63 L64I19-L42 HydrophobicContact CG2-CD1 3.89Å; I19-L42 VanDerWaalsContact O-CA 3.28Å; I19-L42 WeakPolarHBondContact O-CA 3.39Å; I19-L42 PolarHBondContact O-N 2.92Å; I19-L42 VanDerWaalsContact O-N 3.15Å; L22-L42 HydrophobicContact CB-CD1 3.73Å; Y39-L42 WeakPolarHBondContact O-CB 3.26Å; Y39-L42 PolarHBondContact O-N 3.28Å; L42-V44 WeakPolarHBondContact CD1-O 3.47Å; L42-L45 HydrophobicContact CD2-CB 4.15Å; L42-L45 HydrophobicContact CD2-CD1 4.43Å; L42-L45 HydrophobicContact CD2-CD2 4.45Å; L42-L61 HydrophobicContact CD2-CD1 4.17Å; L42-G63 CarbonylContact O-C 3.56Å; L42-L64 HydrophobicContact CD2-CD1 4.24Å; L42-L64 HydrophobicContact CG-CD1 4.16Å; L42-L64 VanDerWaalsContact O-CA 3.25Å; L42-L64 WeakPolarHBondContact O-CA 3.26Å; L42-L64 PolarHBondContact O-N 2.79Å
43E98.4Very high97.2Very high73 Ų7345.2 Ų45.234%0.34126%0.256SS..  trans-105.9-33.7178.9-56-157.1163.500112.3T20 S41 K65 T66T20-E43 PolarHBondContact O-N 3.08Å; S41-E43 PolarHBondContact O-N 2.72Å; E43-K65 PolarHBondContact O-N 2.93Å; E43-K65 IonicContact OE1-NZ 3.21Å; E43-K65 PolarHBondContact OE1-NZ 3.15Å; E43-K65 IonicContact OE2-NZ 3.06Å; E43-K65 PolarHBondContact OE2-NZ 2.97Å; E43-T66 PolarHBondContact O-N 3.24Å
44V98.5Very high97.2Very high22 Ų2242.7 Ų42.713%0.13325%0.249CC..EExtended strand (participates in β ladder)trans-124.6125.3-179.5-173.80000110.4T20 E21 L22 L42 T66T20-V44 PolarHBondContact O-N 3.02Å; T20-V44 VanDerWaalsContact O-N 3.09Å; E21-V44 WeakPolarHBondContact CA-O 3.37Å; E21-V44 HydrophobicContact CB-CB 4.3Å; E21-V44 HydrophobicContact CG-CB 3.96Å; E21-V44 HydrophobicContact CG-CG2 4.13Å; L22-V44 PolarHBondContact N-O 3.09Å; L42-V44 WeakPolarHBondContact CD1-O 3.47Å; V44-T66 HydrophobicContact CG1-CG2 4.28Å
45L98.4Very high97.4Very high0 Ų041.3 Ų41.30%023%0.233CC..EExtended strand (participates in β ladder)trans-128.1123.5174.9177.159.3000109.9L22 L24 L35 L42 M47 L61 L64 T66 L67 E68L22-L45 HydrophobicContact CB-CD1 4.06Å; L22-L45 HydrophobicContact CD2-CD1 4.09Å; L22-L45 HydrophobicContact CG-CD1 4.45Å; L24-L45 HydrophobicContact CD1-CD1 4.01Å; L24-L45 HydrophobicContact CG-CD1 4.32Å; L35-L45 HydrophobicContact CD1-CD1 4.39Å; L35-L45 HydrophobicContact CD1-CD2 3.8Å; L42-L45 HydrophobicContact CD2-CB 4.15Å; L42-L45 HydrophobicContact CD2-CD1 4.43Å; L42-L45 HydrophobicContact CD2-CD2 4.45Å; L45-M47 HydrophobicContact CD1-CG 4.17Å; L45-M47 HydrophobicContact CD2-CE 3.79Å; L45-M47 HydrophobicContact CD2-SD 4.33Å; L45-M47 HydrophobicContact CG-CE 4.22Å; L45-M47 HydrophobicContact CG-CG 4.31Å; L45-L61 HydrophobicContact CD2-CD1 4.29Å; L45-L64 HydrophobicContact CB-CD1 3.57Å; L45-L64 HydrophobicContact CB-CD2 4.45Å; L45-T66 PolarHBondContact N-O 3.08Å; L45-L67 HydrophobicContact CB-CD1 4.07Å; L45-L67 HydrophobicContact CD2-CD1 4Å; L45-L67 HydrophobicContact CG-CD1 4.01Å; L45-L67 WeakPolarHBondContact O-CA 3.21Å; L45-E68 PolarHBondContact O-N 2.88Å
46S98.5Very high97.4Very high12 Ų1243 Ų438%0.08425%0.249CC..EExtended strand (participates in β ladder)trans-114.3127.2173.8-166.50000111.1L22 L24 D25 E68L22-S46 PolarHBondContact O-N 3.05Å; L24-S46 WeakPolarHBondContact CA-O 3.49Å; L24-S46 WeakPolarHBondContact CB-O 3.22Å; L24-S46 PolarHBondContact N-O 3.25Å; D25-S46 VanDerWaalsContact CG-OG 3.29Å; D25-S46 VanDerWaalsContact OD1-C 3.29Å; D25-S46 VanDerWaalsContact OD1-CB 3.31Å; D25-S46 WeakPolarHBondContact OD1-CB 3.25Å; D25-S46 PolarHBondContact OD1-OG 3.01Å; D25-S46 PolarHBondContact OD2-OG 3.4Å; S46-E68 WeakPolarHBondContact OG-CB 3.49Å
47M98.3Very high97.4Very high0 Ų042.7 Ų42.70%026%0.257CS..  trans-135.547.4176.8-70.5-175.3-61.700109.6L24 D25 I32 L35 L45 V50 L52 L67 E68 L69 N72L24-M47 HydrophobicContact CB-CG 3.97Å; L24-M47 HydrophobicContact CD1-CG 4.1Å; L24-M47 HydrophobicContact CD1-SD 4.3Å; L24-M47 HydrophobicContact CG-CG 4.49Å; D25-M47 PolarHBondContact OD1-N 2.96Å; I32-M47 HydrophobicContact CD1-CE 3.91Å; I32-M47 HydrophobicContact CG1-CE 4.19Å; I32-M47 HydrophobicContact CG1-SD 4.28Å; L35-M47 HydrophobicContact CD1-SD 4.32Å; L45-M47 HydrophobicContact CD1-CG 4.17Å; L45-M47 HydrophobicContact CD2-CE 3.79Å; L45-M47 HydrophobicContact CD2-SD 4.33Å; L45-M47 HydrophobicContact CG-CE 4.22Å; L45-M47 HydrophobicContact CG-CG 4.31Å; M47-V50 HydrophobicContact CB-CG2 3.95Å; M47-V50 WeakPolarHBondContact O-CG2 3.38Å; M47-L52 HydrophobicContact CB-CD1 4.28Å; M47-L52 HydrophobicContact CE-CD1 4.19Å; M47-L52 HydrophobicContact SD-CD1 4.25Å; M47-L67 HydrophobicContact CE-CD1 4.21Å; M47-E68 PolarHBondContact N-O 3.28Å; M47-L69 HydrophobicContact CB-CD2 4.22Å; M47-L69 HydrophobicContact CE-CD2 3.67Å; M47-N72 PolarHBondContact O-ND2 3.17Å
48M98.3Very high97.5Very high60 Ų6037.3 Ų37.330%0.29623%0.228SC..THydrogen-bonded Turntrans-71137.9178.8-61.5-171.1-78.100111.1D25 N26 V50 E68 S70D25-M48 CarbonylContact C-O 3.3Å; D25-M48 VanDerWaalsContact CA-O 3.28Å; D25-M48 WeakPolarHBondContact CA-O 2.84Å; D25-M48 HydrophobicContact CB-CB 4.25Å; D25-M48 WeakPolarHBondContact OD1-CB 3.29Å; D25-M48 PolarHBondContact OD1-N 3.37Å; D25-M48 WeakPolarHBondContact OD2-CE 3.17Å; N26-M48 PolarHBondContact N-O 3.42Å; M48-V50 VanDerWaalsContact C-N 3.3Å; M48-V50 PolarHBondContact O-N 3.16Å; M48-E68 HydrophobicContact CG-CB 4.17Å; M48-S70 WeakPolarHBondContact CA-O 3.46Å; M48-S70 VanDerWaalsContact CG-OG 3.24Å; M48-S70 WeakPolarHBondContact CG-OG 3.41Å; M48-S70 PolarHBondContact SD-OG 3.2Å
49N98Very high97.5Very high86 Ų8632.4 Ų32.446%0.4621%0.207SC..THydrogen-bonded Turntrans53.743.6175.3-170.338.8000113.7N26 S70 N71N26-N49 WeakPolarHBondContact CA-O 3.34Å; N26-N49 PolarHBondContact OD1-ND2 2.82Å; N49-S70 PolarHBondContact N-O 3.41Å; N49-S70 VanDerWaalsContact N-O 3.08Å; N49-N71 WeakPolarHBondContact CA-O 3.33Å; N49-N71 HydrophobicContact CB-CB 4.24Å
50V98Very high97.5Very high7 Ų735.3 Ų35.34%0.04223%0.227CC..SBendtrans-91.5-23.1178.6173.90000112.2L3 L24 S27 K28 S29 M47 M48 L52 N72L3-V50 HydrophobicContact CD1-CG1 4.14Å; L24-V50 WeakPolarHBondContact O-CG2 3.32Å; S27-V50 WeakPolarHBondContact O-CA 3.47Å; S27-V50 WeakPolarHBondContact OG-CG2 3.24Å; K28-V50 WeakPolarHBondContact CA-O 2.81Å; S29-V50 PolarHBondContact N-O 3.12Å; M47-V50 HydrophobicContact CB-CG2 3.95Å; M47-V50 WeakPolarHBondContact O-CG2 3.38Å; M48-V50 VanDerWaalsContact C-N 3.3Å; M48-V50 PolarHBondContact O-N 3.16Å; V50-L52 HydrophobicContact CB-CG 4.12Å; V50-L52 HydrophobicContact CG1-CD2 4.08Å; V50-L52 HydrophobicContact CG1-CG 3.93Å; V50-N72 PolarHBondContact N-OD1 2.95Å; V50-N72 VanDerWaalsContact N-OD1 3.14Å
51G97.6Very high97.5Very high29 Ų2931.6 Ų31.630%0.29920%0.201SC..  trans91.616.1-175.800000113.9S29 Q53 N72S29-G51 CarbonylContact O-C 3.42Å; G51-Q53 PolarHBondContact O-N 3.15Å; G51-N72 PolarHBondContact N-OD1 3.21Å
52L98.3Very high97.5Very high0 Ų031.7 Ų31.70%021%0.205CC..  trans-60.5128.7-179-64.8174.9000110.6S29 V30 I32 M47 V50 L69 N72 L73 I74S29-L52 PolarHBondContact O-N 3.47Å; V30-L52 WeakPolarHBondContact O-CA 3.4Å; I32-L52 HydrophobicContact CG1-CD1 4.09Å; I32-L52 HydrophobicContact CG1-CD2 4.06Å; M47-L52 HydrophobicContact CB-CD1 4.28Å; M47-L52 HydrophobicContact CE-CD1 4.19Å; M47-L52 HydrophobicContact SD-CD1 4.25Å; V50-L52 HydrophobicContact CB-CG 4.12Å; V50-L52 HydrophobicContact CG1-CD2 4.08Å; V50-L52 HydrophobicContact CG1-CG 3.93Å; L52-L69 HydrophobicContact CD1-CD2 4.04Å; L52-N72 HydrophobicContact CB-CB 4.2Å; L52-N72 PolarHBondContact N-OD1 3.23Å; L52-L73 CarbonylContact O-C 3.14Å; L52-L73 WeakPolarHBondContact O-CA 3.41Å; L52-L73 WeakPolarHBondContact O-CB 3.24Å; L52-L73 PolarHBondContact O-N 3.29Å; L52-I74 HydrophobicContact CB-CG1 4.41Å; L52-I74 PolarHBondContact O-N 3.38Å
53Q97.5Very high97.4Very high106 Ų10632.7 Ų32.750%0.49522%0.215SC..SBendtrans-97.5-20.9174-64.8-178.127.900112V30 G51 L73V30-Q53 HydrophobicContact CG1-CB 4.19Å; V30-Q53 HydrophobicContact CG1-CG 4.05Å; V30-Q53 PolarHBondContact O-N 3.3Å; G51-Q53 PolarHBondContact O-N 3.15Å; Q53-L73 HydrophobicContact CG-CB 4.06Å; Q53-L73 HydrophobicContact CG-CD1 4.28Å
54S96.2Very high97.4Very high34 Ų3429.2 Ų29.224%0.23820%0.199CC..  trans-147.4169.3-179.390.70000111D31 A56D31-S54 PolarHBondContact OD1-OG 2.76Å; S54-A56 VanDerWaalsContact C-N 3.3Å; S54-A56 WeakPolarHBondContact OG-CB 2.86Å; S54-A56 PolarHBondContact OG-N 2.95Å
55L97.6Very high97.4Very high3 Ų331.2 Ų31.22%0.01621%0.205CC..  trans-94.918.1170.5-62.7177.4000112.2I32 L58 L69 I74 L78 A80 L81I32-L55 HydrophobicContact CD1-CD2 4.19Å; L55-L58 WeakPolarHBondContact O-CB 3.26Å; L55-L58 PolarHBondContact O-N 3Å; L55-L69 HydrophobicContact CD2-CD1 3.76Å; L55-L69 HydrophobicContact CD2-CD2 4.16Å; L55-I74 HydrophobicContact CD2-CD1 3.8Å; L55-I74 HydrophobicContact CG-CD1 4.32Å; L55-L78 HydrophobicContact CD1-CD2 3.97Å; L55-A80 HydrophobicContact CB-CB 3.71Å; L55-L81 HydrophobicContact CD1-CD1 4Å; L55-L81 HydrophobicContact CD1-CD2 3.67Å; L55-L81 HydrophobicContact CD1-CG 3.58Å
56A95.9Very high97.4Very high50 Ų5031.8 Ų31.841%0.41321%0.209SC..THydrogen-bonded Turntrans-59.4140.2172.600000109.8D31 I32 S54 L58D31-A56 HydrophobicContact CB-CB 4.48Å; I32-A56 WeakPolarHBondContact CB-O 3.3Å; I32-A56 PolarHBondContact N-O 2.98Å; S54-A56 VanDerWaalsContact C-N 3.3Å; S54-A56 WeakPolarHBondContact OG-CB 2.86Å; S54-A56 PolarHBondContact OG-N 2.95Å; A56-L58 VanDerWaalsContact C-N 3.34Å
57G95.6Very high97.4Very high48 Ų4831.2 Ų31.250%0.49521%0.205SC..THydrogen-bonded Turntrans87.2-9.1-176.400000115.2I32 P59I32-G57 WeakPolarHBondContact O-CA 3.49Å; G57-P59 VanDerWaalsContact O-CD 3.29Å; G57-P59 WeakPolarHBondContact O-CD 3.43Å
58L97.3Very high97.4Very high1 Ų133.6 Ų33.61%0.00522%0.216CC..  trans-60.2119.9175.2-169.669.2000110.7I32 L55 A56 L61 L81 K83I32-L58 HydrophobicContact CD1-CB 3.81Å; I32-L58 HydrophobicContact CD1-CD1 3.77Å; I32-L58 HydrophobicContact CD1-CG 4.34Å; L55-L58 WeakPolarHBondContact O-CB 3.26Å; L55-L58 PolarHBondContact O-N 3Å; A56-L58 VanDerWaalsContact C-N 3.34Å; L58-L61 HydrophobicContact CD1-CD1 4.45Å; L58-L81 HydrophobicContact CD2-CD2 4.01Å; L58-K83 VanDerWaalsContact O-CD 3.24Å; L58-K83 WeakPolarHBondContact O-CD 3.46Å; L58-K83 PolarHBondContact O-NZ 3.15Å
59P96.9Very high97.4Very high17 Ų1730.7 Ų30.711%0.1120%0.202CC..  trans-80.3179.4178.833-33.7000111.9L35 T36 G57 L61L35-P59 HydrophobicContact CB-CG 3.91Å; T36-P59 WeakPolarHBondContact O-CG 3.35Å; G57-P59 VanDerWaalsContact O-CD 3.29Å; G57-P59 WeakPolarHBondContact O-CD 3.43Å; P59-L61 HydrophobicContact CG-CD1 4.23Å; P59-L61 HydrophobicContact CG-CD2 4.01Å; P59-L61 HydrophobicContact CG-CG 3.98Å; P59-L61 PolarHBondContact O-N 2.95Å
60C96.9Very high97.5Very high64 Ų6426.9 Ų26.943%0.43218%0.182SC..  trans-77.1108.8171.6-173.40000109.5K83C60-K83 WeakPolarHBondContact CA-O 3.21Å; C60-K83 PolarHBondContact SG-O 2.99Å; C60-K83 VanDerWaalsContact SG-O 3.38Å
61L97.4Very high97.5Very high1 Ų130.5 Ų30.51%0.00520%0.201CC..  trans-11881.1179.1-58.9172000108.7L42 L45 L58 P59 G63 L64 K83L42-L61 HydrophobicContact CD2-CD1 4.17Å; L45-L61 HydrophobicContact CD2-CD1 4.29Å; L58-L61 HydrophobicContact CD1-CD1 4.45Å; P59-L61 HydrophobicContact CG-CD1 4.23Å; P59-L61 HydrophobicContact CG-CD2 4.01Å; P59-L61 HydrophobicContact CG-CG 3.98Å; P59-L61 PolarHBondContact O-N 2.95Å; L61-G63 PolarHBondContact O-N 3.48Å; L61-L64 HydrophobicContact CB-CB 3.89Å; L61-L64 HydrophobicContact CB-CD2 4.46Å; L61-L64 HydrophobicContact CD1-CD2 4.22Å; L61-L64 WeakPolarHBondContact O-CB 3.38Å; L61-L64 PolarHBondContact O-N 2.99Å; L61-K83 PolarHBondContact N-O 2.93Å
62A95.4Very high97.5Very high52 Ų5229.3 Ų29.343%0.4319%0.188SC..THydrogen-bonded Turntrans-65.7-25.6-174.200000113.3N86A62-N86 PolarHBondContact O-ND2 2.84Å
63G96.7Very high97.5Very high21 Ų2133 Ų3322%0.21621%0.207CC..THydrogen-bonded Turntrans-80.2-13176.900000114.7L42 L61 K65L42-G63 CarbonylContact O-C 3.56Å; L61-G63 PolarHBondContact O-N 3.48Å; G63-K65 PolarHBondContact O-N 2.82Å
64L98.4Very high97.6Very high0 Ų028 Ų280%018%0.184CC..  trans-71.3120.2-167.3-16973.3000111.3L42 L45 L61 L67 C84 N86 I87L42-L64 HydrophobicContact CD2-CD1 4.24Å; L42-L64 HydrophobicContact CG-CD1 4.16Å; L42-L64 VanDerWaalsContact O-CA 3.25Å; L42-L64 WeakPolarHBondContact O-CA 3.26Å; L42-L64 PolarHBondContact O-N 2.79Å; L45-L64 HydrophobicContact CB-CD1 3.57Å; L45-L64 HydrophobicContact CB-CD2 4.45Å; L61-L64 HydrophobicContact CB-CB 3.89Å; L61-L64 HydrophobicContact CB-CD2 4.46Å; L61-L64 HydrophobicContact CD1-CD2 4.22Å; L61-L64 WeakPolarHBondContact O-CB 3.38Å; L61-L64 PolarHBondContact O-N 2.99Å; L64-L67 HydrophobicContact CD2-CB 4.25Å; L64-L67 HydrophobicContact CD2-CD1 4.39Å; L64-L67 HydrophobicContact CD2-CD2 4.36Å; L64-C84 HydrophobicContact CD2-CB 4.37Å; L64-N86 CarbonylContact O-C 3.37Å; L64-I87 HydrophobicContact CD2-CD1 4.39Å; L64-I87 HydrophobicContact CD2-CG1 4.36Å; L64-I87 WeakPolarHBondContact O-CA 3.42Å; L64-I87 PolarHBondContact O-N 3.41Å; L64-I87 VanDerWaalsContact O-N 3.17Å
65K98.4Very high97.6Very high64 Ų6429.7 Ų29.728%0.27820%0.196SC..  trans-107.2-38-179.9-64.7175.6-167.5154.80112.3E43 G63 E88 Q89E43-K65 PolarHBondContact O-N 2.93Å; E43-K65 IonicContact OE1-NZ 3.21Å; E43-K65 PolarHBondContact OE1-NZ 3.15Å; E43-K65 IonicContact OE2-NZ 3.06Å; E43-K65 PolarHBondContact OE2-NZ 2.97Å; G63-K65 PolarHBondContact O-N 2.82Å; K65-E88 HydrophobicContact CB-CG 4.41Å; K65-E88 PolarHBondContact O-N 2.78Å; K65-Q89 PolarHBondContact O-N 3.28Å
66T98.5Very high97.6Very high12 Ų1230.5 Ų30.57%0.07421%0.205CC..EExtended strand (participates in β ladder)trans-121.8126.1-177.4-58.70000110.3E43 V44 L45 Q89E43-T66 PolarHBondContact O-N 3.24Å; V44-T66 HydrophobicContact CG1-CG2 4.28Å; L45-T66 PolarHBondContact N-O 3.08Å; T66-Q89 WeakPolarHBondContact CA-O 3.29Å; T66-Q89 HydrophobicContact CG2-CB 4.18Å
67L98.6Very high97.6Very high0 Ų030 Ų300%021%0.205CC..EExtended strand (participates in β ladder)trans-129.2113.4179-179.855.8000111.2L45 M47 L64 L69 L81 I87 Q89 L90 N91L45-L67 HydrophobicContact CB-CD1 4.07Å; L45-L67 HydrophobicContact CD2-CD1 4Å; L45-L67 HydrophobicContact CG-CD1 4.01Å; L45-L67 WeakPolarHBondContact O-CA 3.21Å; M47-L67 HydrophobicContact CE-CD1 4.21Å; L64-L67 HydrophobicContact CD2-CB 4.25Å; L64-L67 HydrophobicContact CD2-CD1 4.39Å; L64-L67 HydrophobicContact CD2-CD2 4.36Å; L67-L69 HydrophobicContact CD1-CD1 4.4Å; L67-L69 HydrophobicContact CD1-CD2 4.27Å; L67-L69 HydrophobicContact CD1-CG 4.05Å; L67-L69 HydrophobicContact CD2-CD1 3.8Å; L67-L69 HydrophobicContact CD2-CG 4.34Å; L67-L69 HydrophobicContact CG-CD1 3.86Å; L67-L69 HydrophobicContact CG-CG 3.89Å; L67-L81 HydrophobicContact CD2-CD2 3.53Å; L67-I87 HydrophobicContact CB-CD1 4.49Å; L67-I87 HydrophobicContact CD2-CD1 4.03Å; L67-Q89 PolarHBondContact N-O 3.49Å; L67-L90 HydrophobicContact CB-CD1 4.1Å; L67-L90 HydrophobicContact CD2-CD1 4.05Å; L67-L90 HydrophobicContact CG-CD1 4.07Å; L67-N91 PolarHBondContact O-N 3.02Å
68E98.5Very high97.8Very high50 Ų5027.8 Ų27.823%0.23418%0.182CC..EExtended strand (participates in β ladder)trans-100.7112.5178.6-83.2-67.416500110.7L45 S46 M47 M48 N91L45-E68 PolarHBondContact O-N 2.88Å; S46-E68 WeakPolarHBondContact OG-CB 3.49Å; M47-E68 PolarHBondContact N-O 3.28Å; M48-E68 HydrophobicContact CG-CB 4.17Å; E68-N91 VanDerWaalsContact OE1-CB 3.29Å; E68-N91 WeakPolarHBondContact OE1-CB 3.48Å; E68-N91 PolarHBondContact OE1-ND2 3.17Å; E68-N91 WeakPolarHBondContact OE2-CB 3.31Å; E68-N91 PolarHBondContact OE2-ND2 3.31Å
69L98.6Very high97.8Very high0 Ų032.5 Ų32.50%021%0.207CC..  trans-125.717.7-178-68.2166.2000112M47 L52 L55 L67 N72 I74 L90 N91 L92 N95M47-L69 HydrophobicContact CB-CD2 4.22Å; M47-L69 HydrophobicContact CE-CD2 3.67Å; L52-L69 HydrophobicContact CD1-CD2 4.04Å; L55-L69 HydrophobicContact CD2-CD1 3.76Å; L55-L69 HydrophobicContact CD2-CD2 4.16Å; L67-L69 HydrophobicContact CD1-CD1 4.4Å; L67-L69 HydrophobicContact CD1-CD2 4.27Å; L67-L69 HydrophobicContact CD1-CG 4.05Å; L67-L69 HydrophobicContact CD2-CD1 3.8Å; L67-L69 HydrophobicContact CD2-CG 4.34Å; L67-L69 HydrophobicContact CG-CD1 3.86Å; L67-L69 HydrophobicContact CG-CG 3.89Å; L69-N72 PolarHBondContact O-ND2 3.2Å; L69-I74 HydrophobicContact CB-CD1 4.26Å; L69-I74 HydrophobicContact CD1-CD1 4.22Å; L69-I74 HydrophobicContact CD2-CD1 4.31Å; L69-L90 HydrophobicContact CD1-CD1 4.12Å; L69-N91 CarbonylContact C-O 3.01Å; L69-N91 WeakPolarHBondContact CA-O 3.06Å; L69-N91 WeakPolarHBondContact CB-O 3.25Å; L69-N91 PolarHBondContact N-O 2.77Å; L69-L92 HydrophobicContact CB-CD2 4Å; L69-L92 HydrophobicContact CD1-CD2 3.79Å; L69-N95 PolarHBondContact O-ND2 3.26Å
70S98.4Very high97.8Very high6 Ų632.3 Ų32.34%0.04221%0.207CC..THydrogen-bonded Turntrans-60.4152.2-176.973.50000112.4M48 N49 N72 S93M48-S70 WeakPolarHBondContact CA-O 3.46Å; M48-S70 VanDerWaalsContact CG-OG 3.24Å; M48-S70 WeakPolarHBondContact CG-OG 3.41Å; M48-S70 PolarHBondContact SD-OG 3.2Å; N49-S70 PolarHBondContact N-O 3.41Å; N49-S70 VanDerWaalsContact N-O 3.08Å; S70-N72 VanDerWaalsContact C-N 3.35Å; S70-N72 PolarHBondContact O-N 3.29Å; S70-N72 PolarHBondContact O-ND2 3.3Å; S70-S93 VanDerWaalsContact CA-O 3.23Å; S70-S93 WeakPolarHBondContact CA-O 3.15Å; S70-S93 VanDerWaalsContact CB-OG 3.23Å; S70-S93 WeakPolarHBondContact CB-OG 3.23Å
71N98.4Very high97.8Very high82 Ų8229.3 Ų29.344%0.43919%0.186SC..THydrogen-bonded Turntrans58.840177.2-56.3-68.7000114.1N49 S93 S94N49-N71 WeakPolarHBondContact CA-O 3.33Å; N49-N71 HydrophobicContact CB-CB 4.24Å; N71-S93 PolarHBondContact N-O 2.97Å; N71-S94 WeakPolarHBondContact OD1-CB 3.48Å; N71-S94 PolarHBondContact OD1-OG 2.95Å
72N98.6Very high97.8Very high4 Ų432.1 Ų32.12%0.02120%0.201CC..SBendtrans-109.2-166.4170-76.3-69.9000110.8M47 V50 G51 L52 L69 S70 I74 N95M47-N72 PolarHBondContact O-ND2 3.17Å; V50-N72 PolarHBondContact N-OD1 2.95Å; V50-N72 VanDerWaalsContact N-OD1 3.14Å; G51-N72 PolarHBondContact N-OD1 3.21Å; L52-N72 HydrophobicContact CB-CB 4.2Å; L52-N72 PolarHBondContact N-OD1 3.23Å; L69-N72 PolarHBondContact O-ND2 3.2Å; S70-N72 VanDerWaalsContact C-N 3.35Å; S70-N72 PolarHBondContact O-N 3.29Å; S70-N72 PolarHBondContact O-ND2 3.3Å; N72-I74 HydrophobicContact CB-CD1 4.31Å; N72-I74 HydrophobicContact CB-CG1 4.26Å; N72-N95 WeakPolarHBondContact CA-OD1 3.31Å; N72-N95 WeakPolarHBondContact CB-OD1 3.15Å; N72-N95 PolarHBondContact O-OD1 3.27Å
73L98.3Very high97.9Very high79 Ų7934.3 Ų34.341%0.41420%0.201SC..  trans-117.823.5-178.3-60.6175.4000112.2L52 Q53 S75 N95 K96L52-L73 CarbonylContact O-C 3.14Å; L52-L73 WeakPolarHBondContact O-CA 3.41Å; L52-L73 WeakPolarHBondContact O-CB 3.24Å; L52-L73 PolarHBondContact O-N 3.29Å; Q53-L73 HydrophobicContact CG-CB 4.06Å; Q53-L73 HydrophobicContact CG-CD1 4.28Å; L73-S75 PolarHBondContact O-N 3.07Å; L73-N95 PolarHBondContact N-OD1 2.96Å; L73-K96 HydrophobicContact CD2-CG 4.41Å
74I98.4Very high97.9Very high0 Ų033.3 Ų33.30%019%0.19CC..  trans-68.6126.9-176-59.1165.8000109.5L52 L55 L69 N72 L78 L92 N95 K96L52-I74 HydrophobicContact CB-CG1 4.41Å; L52-I74 PolarHBondContact O-N 3.38Å; L55-I74 HydrophobicContact CD2-CD1 3.8Å; L55-I74 HydrophobicContact CG-CD1 4.32Å; L69-I74 HydrophobicContact CB-CD1 4.26Å; L69-I74 HydrophobicContact CD1-CD1 4.22Å; L69-I74 HydrophobicContact CD2-CD1 4.31Å; N72-I74 HydrophobicContact CB-CD1 4.31Å; N72-I74 HydrophobicContact CB-CG1 4.26Å; I74-L78 HydrophobicContact CG2-CD2 4.31Å; I74-L92 HydrophobicContact CD1-CD2 4.22Å; I74-N95 HydrophobicContact CB-CB 4.43Å; I74-N95 VanDerWaalsContact CB-OD1 3.32Å; I74-N95 WeakPolarHBondContact CB-OD1 3.27Å; I74-N95 PolarHBondContact N-OD1 3.09Å; I74-N95 WeakPolarHBondContact O-CB 3.39Å; I74-K96 CarbonylContact O-C 3.56Å; I74-K96 WeakPolarHBondContact O-CA 3.5Å; I74-K96 PolarHBondContact O-N 3.05Å
75S97.7Very high97.9Very high69 Ų6936 Ų3648%0.48321%0.208SC..  trans-118.1-12.5178.254.60000113.7L73 K96L73-S75 PolarHBondContact O-N 3.07Å; S75-K96 WeakPolarHBondContact CA-O 3.5Å; S75-K96 WeakPolarHBondContact CB-O 3.42Å
76G96.9Very high97.8Very high20 Ų2036.4 Ų36.421%0.20621%0.213CC..SBendtrans-173.3-164.4-174.700000113.1
77G96.7Very high97.8Very high40 Ų4035.9 Ų35.941%0.41221%0.21SC..  trans72.526.217700000114.5D79 A80G77-D79 WeakPolarHBondContact CA-OD1 3.45Å; G77-D79 PolarHBondContact O-N 3.41Å; G77-A80 WeakPolarHBondContact O-CB 3.37Å; G77-A80 PolarHBondContact O-N 3.12Å
78L97.9Very high97.8Very high2 Ų238.3 Ų38.31%0.0122%0.221CC..G310 helixtrans-69.3-9.4-178.4-59.2-169.7000113.4L55 I74 A80 L81 L92 V102 L103 L106L55-L78 HydrophobicContact CD1-CD2 3.97Å; I74-L78 HydrophobicContact CG2-CD2 4.31Å; L78-A80 PolarHBondContact O-N 3.17Å; L78-L81 HydrophobicContact CB-CD1 4.28Å; L78-L81 HydrophobicContact CD2-CD1 4.16Å; L78-L81 WeakPolarHBondContact O-CB 3.27Å; L78-L81 PolarHBondContact O-N 3.5Å; L78-L92 HydrophobicContact CD1-CD1 4.2Å; L78-L92 HydrophobicContact CD2-CD1 4.14Å; L78-V102 HydrophobicContact CD1-CG1 3.86Å; L78-V102 WeakPolarHBondContact CD1-O 3.44Å; L78-V102 HydrophobicContact CG-CG1 3.94Å; L78-L103 HydrophobicContact CD1-CD2 3.94Å; L78-L106 HydrophobicContact CB-CD2 4.16Å; L78-L106 HydrophobicContact CD1-CD1 4.01Å; L78-L106 HydrophobicContact CD1-CD2 4.21Å; L78-L106 HydrophobicContact CD1-CG 4.11Å
79D97.4Very high97.8Very high100 Ų10038.1 Ų38.154%0.53522%0.22SC..G310 helixtrans-63.3-21.9169.858.8-70.6000113.1G77 L81 L82 P105G77-D79 WeakPolarHBondContact CA-OD1 3.45Å; G77-D79 PolarHBondContact O-N 3.41Å; D79-L81 PolarHBondContact O-N 3.45Å; D79-L82 HydrophobicContact CB-CD1 4.47Å; D79-L82 VanDerWaalsContact O-CB 3.3Å; D79-L82 WeakPolarHBondContact O-CB 3.41Å; D79-L82 VanDerWaalsContact O-CG 3.26Å; D79-L82 WeakPolarHBondContact O-CG 3.49Å; D79-L82 PolarHBondContact O-N 3.33Å; D79-L82 VanDerWaalsContact O-N 3.15Å; D79-P105 HydrophobicContact CB-CB 4.12Å; D79-P105 HydrophobicContact CB-CG 4.18Å
80A97.6Very high97.8Very high13 Ų1338.3 Ų38.311%0.10722%0.221CC..G310 helixtrans-60.5-29.6172.500000112.8L55 G77 L78 L82 K83L55-A80 HydrophobicContact CB-CB 3.71Å; G77-A80 WeakPolarHBondContact O-CB 3.37Å; G77-A80 PolarHBondContact O-N 3.12Å; L78-A80 PolarHBondContact O-N 3.17Å; A80-L82 PolarHBondContact O-N 3.46Å; A80-K83 WeakPolarHBondContact O-CB 3.47Å; A80-K83 WeakPolarHBondContact O-CG 3.35Å; A80-K83 PolarHBondContact O-N 2.94Å
81L98Very high97.8Very high0 Ų039.2 Ų39.20%023%0.226CC..G310 helixtrans-66.8-18.1178.7-62.9168.9000112.8L55 L58 L67 L78 D79 K83 C84 I87 L90 L106 L109L55-L81 HydrophobicContact CD1-CD1 4Å; L55-L81 HydrophobicContact CD1-CD2 3.67Å; L55-L81 HydrophobicContact CD1-CG 3.58Å; L58-L81 HydrophobicContact CD2-CD2 4.01Å; L67-L81 HydrophobicContact CD2-CD2 3.53Å; L78-L81 HydrophobicContact CB-CD1 4.28Å; L78-L81 HydrophobicContact CD2-CD1 4.16Å; L78-L81 WeakPolarHBondContact O-CB 3.27Å; L78-L81 PolarHBondContact O-N 3.5Å; D79-L81 PolarHBondContact O-N 3.45Å; L81-K83 PolarHBondContact O-N 3.05Å; L81-K83 VanDerWaalsContact O-N 3.08Å; L81-C84 PolarHBondContact O-N 2.96Å; L81-I87 HydrophobicContact CD2-CD1 4.11Å; L81-L90 HydrophobicContact CD1-CD1 4.5Å; L81-L90 HydrophobicContact CD1-CD2 3.66Å; L81-L106 HydrophobicContact CD1-CD2 3.59Å; L81-L109 HydrophobicContact CB-CD1 4.2Å
82L97.2Very high97.8Very high60 Ų6035.3 Ų35.331%0.31421%0.205SC..G310 helixtrans-64.4-13.2176.6-57.6-178.8000113.2D79 A80 K108 L109D79-L82 HydrophobicContact CB-CD1 4.47Å; D79-L82 VanDerWaalsContact O-CB 3.3Å; D79-L82 WeakPolarHBondContact O-CB 3.41Å; D79-L82 VanDerWaalsContact O-CG 3.26Å; D79-L82 WeakPolarHBondContact O-CG 3.49Å; D79-L82 PolarHBondContact O-N 3.33Å; D79-L82 VanDerWaalsContact O-N 3.15Å; A80-L82 PolarHBondContact O-N 3.46Å; L82-K108 HydrophobicContact CD1-CD 3.89Å; L82-K108 HydrophobicContact CD2-CB 3.68Å; L82-K108 HydrophobicContact CD2-CD 4.27Å; L82-L109 HydrophobicContact CD2-CD2 3.94Å; L82-L109 HydrophobicContact CD2-CG 4.22Å
83K96.8Very high97.8Very high98 Ų9835.9 Ų35.943%0.42621%0.209SC..G310 helixtrans-76.2-12.2171.6-58.6177.9-170.2176.10113.1L58 C60 L61 A80 L81 P85L58-K83 VanDerWaalsContact O-CD 3.24Å; L58-K83 WeakPolarHBondContact O-CD 3.46Å; L58-K83 PolarHBondContact O-NZ 3.15Å; C60-K83 WeakPolarHBondContact CA-O 3.21Å; C60-K83 PolarHBondContact SG-O 2.99Å; C60-K83 VanDerWaalsContact SG-O 3.38Å; L61-K83 PolarHBondContact N-O 2.93Å; A80-K83 WeakPolarHBondContact O-CB 3.47Å; A80-K83 WeakPolarHBondContact O-CG 3.35Å; A80-K83 PolarHBondContact O-N 2.94Å; L81-K83 PolarHBondContact O-N 3.05Å; L81-K83 VanDerWaalsContact O-N 3.08Å; K83-P85 VanDerWaalsContact C-CD 3.48Å; K83-P85 WeakPolarHBondContact O-CD 3.33Å
84C97.7Very high97.8Very high0 Ų033.8 Ų33.80%020%0.201CC..SBendtrans-119.273.5179.2-54.90000108.3L64 L81 N86 I87L64-C84 HydrophobicContact CD2-CB 4.37Å; L81-C84 PolarHBondContact O-N 2.96Å; C84-N86 PolarHBondContact O-N 2.94Å; C84-N86 VanDerWaalsContact O-N 3.16Å; C84-I87 HydrophobicContact CB-CD1 3.48Å; C84-I87 VanDerWaalsContact CB-CD1 3.48Å; C84-I87 HydrophobicContact CB-CG1 3.77Å; C84-I87 WeakPolarHBondContact O-CG1 3.07Å; C84-I87 PolarHBondContact O-N 3.35Å
85P96.5Very high97.8Very high57 Ų5733.9 Ų33.937%0.3720%0.201SC..THydrogen-bonded Turntrans-67.4-18.4-165.826.7-36.7000114.8K83K83-P85 VanDerWaalsContact C-CD 3.48Å; K83-P85 WeakPolarHBondContact O-CD 3.33Å
86N97.8Very high97.8Very high73 Ų7335.6 Ų35.639%0.3920%0.2SC..THydrogen-bonded Turntrans-100.113.8-174.8-65.2-39.9000113.5A62 L64 C84 E88A62-N86 PolarHBondContact O-ND2 2.84Å; L64-N86 CarbonylContact O-C 3.37Å; C84-N86 PolarHBondContact O-N 2.94Å; C84-N86 VanDerWaalsContact O-N 3.16Å; N86-E88 PolarHBondContact O-N 2.99Å
87I98.3Very high97.9Very high0 Ų034.7 Ų34.70%019%0.19CC..  trans-60.7122.9175-69.1172000109L64 L67 L81 C84 L90 E111 L112L64-I87 HydrophobicContact CD2-CD1 4.39Å; L64-I87 HydrophobicContact CD2-CG1 4.36Å; L64-I87 WeakPolarHBondContact O-CA 3.42Å; L64-I87 PolarHBondContact O-N 3.41Å; L64-I87 VanDerWaalsContact O-N 3.17Å; L67-I87 HydrophobicContact CB-CD1 4.49Å; L67-I87 HydrophobicContact CD2-CD1 4.03Å; L81-I87 HydrophobicContact CD2-CD1 4.11Å; C84-I87 HydrophobicContact CB-CD1 3.48Å; C84-I87 VanDerWaalsContact CB-CD1 3.48Å; C84-I87 HydrophobicContact CB-CG1 3.77Å; C84-I87 WeakPolarHBondContact O-CG1 3.07Å; C84-I87 PolarHBondContact O-N 3.35Å; I87-L90 HydrophobicContact CG2-CB 4.16Å; I87-E111 CarbonylContact O-C 3.39Å; I87-E111 VanDerWaalsContact O-C 3.3Å; I87-L112 HydrophobicContact CG2-CD1 4.02Å; I87-L112 VanDerWaalsContact O-CA 3.25Å; I87-L112 WeakPolarHBondContact O-CA 3.37Å; I87-L112 PolarHBondContact O-N 3.02Å; I87-L112 VanDerWaalsContact O-N 3.15Å
88E98.4Very high97.9Very high51 Ų5139.5 Ų39.524%0.23820%0.202CC..  trans-103.4-35.9176.6-56.2-166-167.900112.3K65 N86 E111 K113 S114K65-E88 HydrophobicContact CB-CG 4.41Å; K65-E88 PolarHBondContact O-N 2.78Å; N86-E88 PolarHBondContact O-N 2.99Å; E88-E111 WeakPolarHBondContact CA-O 3.36Å; E88-E111 HydrophobicContact CG-CB 4.34Å; E88-K113 HydrophobicContact CB-CD 4.49Å; E88-K113 VanDerWaalsContact CD-NZ 3.27Å; E88-K113 PolarHBondContact O-N 2.56Å; E88-K113 IonicContact OE1-NZ 2.7Å; E88-K113 IonicContact OE2-NZ 2.75Å; E88-K113 PolarHBondContact OE2-NZ 3.19Å; E88-S114 PolarHBondContact O-N 3.05Å
89Q98.4Very high97.8Very high46 Ų4641.7 Ų41.722%0.21522%0.218CC..EExtended strand (participates in β ladder)trans-126.8123.4-177.7-59.4-177.224.600109.8K65 T66 L67 F154K65-Q89 PolarHBondContact O-N 3.28Å; T66-Q89 WeakPolarHBondContact CA-O 3.29Å; T66-Q89 HydrophobicContact CG2-CB 4.18Å; L67-Q89 PolarHBondContact N-O 3.49Å; Q89-F154 HydrophobicContact CG-CZ 4.22Å; Q89-F154 VanDerWaalsContact NE2-CE1 3.3Å
90L98.5Very high97.8Very high5 Ų537.6 Ų37.63%0.02620%0.196CC..EExtended strand (participates in β ladder)trans-130.5117.4-179.2177.659.7000110.4L67 L69 L81 I87 L92 L106 L112 S114 L115 D116L67-L90 HydrophobicContact CB-CD1 4.1Å; L67-L90 HydrophobicContact CD2-CD1 4.05Å; L67-L90 HydrophobicContact CG-CD1 4.07Å; L69-L90 HydrophobicContact CD1-CD1 4.12Å; L81-L90 HydrophobicContact CD1-CD1 4.5Å; L81-L90 HydrophobicContact CD1-CD2 3.66Å; I87-L90 HydrophobicContact CG2-CB 4.16Å; L90-L92 HydrophobicContact CD1-CD1 4.41Å; L90-L92 HydrophobicContact CD1-CG 4.13Å; L90-L92 HydrophobicContact CD2-CD1 3.77Å; L90-L92 HydrophobicContact CD2-CG 4.36Å; L90-L92 HydrophobicContact CG-CD1 4Å; L90-L92 HydrophobicContact CG-CG 4.05Å; L90-L106 HydrophobicContact CD2-CD1 4.44Å; L90-L106 HydrophobicContact CD2-CD2 4.03Å; L90-L112 HydrophobicContact CB-CD1 3.74Å; L90-S114 PolarHBondContact N-O 2.74Å; L90-L115 HydrophobicContact CB-CD1 4.2Å; L90-L115 HydrophobicContact CD2-CD1 4Å; L90-L115 HydrophobicContact CG-CD1 4.02Å; L90-L115 WeakPolarHBondContact O-CA 3.28Å; L90-D116 PolarHBondContact O-N 2.79Å
91N98.6Very high97.7Very high25 Ų2542.3 Ų42.313%0.13422%0.219CC..EExtended strand (participates in β ladder)trans-107.8112.7175.3-169.9-19.1000110.4L67 E68 L69 S93 D116L67-N91 PolarHBondContact O-N 3.02Å; E68-N91 VanDerWaalsContact OE1-CB 3.29Å; E68-N91 WeakPolarHBondContact OE1-CB 3.48Å; E68-N91 PolarHBondContact OE1-ND2 3.17Å; E68-N91 WeakPolarHBondContact OE2-CB 3.31Å; E68-N91 PolarHBondContact OE2-ND2 3.31Å; L69-N91 CarbonylContact C-O 3.01Å; L69-N91 WeakPolarHBondContact CA-O 3.06Å; L69-N91 WeakPolarHBondContact CB-O 3.25Å; L69-N91 PolarHBondContact N-O 2.77Å; N91-S93 VanDerWaalsContact OD1-CB 3.25Å; N91-S93 WeakPolarHBondContact OD1-CB 3.34Å; N91-S93 PolarHBondContact OD1-N 3.04Å; N91-S93 PolarHBondContact OD1-OG 2.97Å; N91-D116 HydrophobicContact CB-CB 4.38Å
92L98.6Very high97.7Very high0 Ų044 Ų440%023%0.229CC..  trans-11516.3176.9-76.5166.2000111.1L69 I74 L78 L90 N95 I97 L115 D116 L117 C120L69-L92 HydrophobicContact CB-CD2 4Å; L69-L92 HydrophobicContact CD1-CD2 3.79Å; I74-L92 HydrophobicContact CD1-CD2 4.22Å; L78-L92 HydrophobicContact CD1-CD1 4.2Å; L78-L92 HydrophobicContact CD2-CD1 4.14Å; L90-L92 HydrophobicContact CD1-CD1 4.41Å; L90-L92 HydrophobicContact CD1-CG 4.13Å; L90-L92 HydrophobicContact CD2-CD1 3.77Å; L90-L92 HydrophobicContact CD2-CG 4.36Å; L90-L92 HydrophobicContact CG-CD1 4Å; L90-L92 HydrophobicContact CG-CG 4.05Å; L92-N95 WeakPolarHBondContact O-CB 3.4Å; L92-N95 PolarHBondContact O-ND2 3.11Å; L92-I97 HydrophobicContact CB-CD1 4.08Å; L92-I97 HydrophobicContact CD1-CD1 3.96Å; L92-I97 HydrophobicContact CG-CD1 4.43Å; L92-L115 HydrophobicContact CD1-CD1 4.28Å; L92-D116 CarbonylContact C-O 3.17Å; L92-D116 WeakPolarHBondContact CA-O 3.49Å; L92-D116 PolarHBondContact N-O 3.45Å; L92-L117 HydrophobicContact CB-CD2 3.85Å; L92-L117 HydrophobicContact CD1-CD2 4.24Å; L92-C120 PolarHBondContact O-SG 2.82Å
93S98.5Very high97.7Very high16 Ų1641.1 Ų41.111%0.11221%0.214CC..THydrogen-bonded Turntrans-56.8152-179.463.90000112.5S70 N71 N91 N95 D116 G118S70-S93 VanDerWaalsContact CA-O 3.23Å; S70-S93 WeakPolarHBondContact CA-O 3.15Å; S70-S93 VanDerWaalsContact CB-OG 3.23Å; S70-S93 WeakPolarHBondContact CB-OG 3.23Å; N71-S93 PolarHBondContact N-O 2.97Å; N91-S93 VanDerWaalsContact OD1-CB 3.25Å; N91-S93 WeakPolarHBondContact OD1-CB 3.34Å; N91-S93 PolarHBondContact OD1-N 3.04Å; N91-S93 PolarHBondContact OD1-OG 2.97Å; S93-N95 VanDerWaalsContact C-N 3.26Å; S93-N95 PolarHBondContact O-N 3.02Å; S93-N95 PolarHBondContact O-ND2 2.58Å; S93-N95 VanDerWaalsContact O-ND2 3.15Å; S93-D116 PolarHBondContact N-O 2.88Å; S93-G118 CarbonylContact C-O 3.5Å; S93-G118 WeakPolarHBondContact CA-O 3.44Å; S93-G118 VanDerWaalsContact CB-O 3.3Å; S93-G118 WeakPolarHBondContact CB-O 3.49Å
94S98.4Very high97.7Very high34 Ų3440.8 Ų40.824%0.23822%0.216CC..THydrogen-bonded Turntrans55.435.6-180-590000114.3N71 G118N71-S94 WeakPolarHBondContact OD1-CB 3.48Å; N71-S94 PolarHBondContact OD1-OG 2.95Å; S94-G118 PolarHBondContact N-O 2.83Å
95N98.6Very high97.7Very high2 Ų242 Ų421%0.01122%0.224CC..SBendtrans-104.2-169.1171-82.9-83.2000111.7L69 N72 L73 I74 L92 S93 C120L69-N95 PolarHBondContact O-ND2 3.26Å; N72-N95 WeakPolarHBondContact CA-OD1 3.31Å; N72-N95 WeakPolarHBondContact CB-OD1 3.15Å; N72-N95 PolarHBondContact O-OD1 3.27Å; L73-N95 PolarHBondContact N-OD1 2.96Å; I74-N95 HydrophobicContact CB-CB 4.43Å; I74-N95 VanDerWaalsContact CB-OD1 3.32Å; I74-N95 WeakPolarHBondContact CB-OD1 3.27Å; I74-N95 PolarHBondContact N-OD1 3.09Å; I74-N95 WeakPolarHBondContact O-CB 3.39Å; L92-N95 WeakPolarHBondContact O-CB 3.4Å; L92-N95 PolarHBondContact O-ND2 3.11Å; S93-N95 VanDerWaalsContact C-N 3.26Å; S93-N95 PolarHBondContact O-N 3.02Å; S93-N95 PolarHBondContact O-ND2 2.58Å; S93-N95 VanDerWaalsContact O-ND2 3.15Å; N95-C120 PolarHBondContact N-SG 2.9Å; N95-C120 VanDerWaalsContact N-SG 3.44Å
96K98Very high97.8Very high106 Ų10639.3 Ų39.346%0.46121%0.207SC..  trans-109.532.5-175.9-57.4-58.1-179.9-167.50112.9L73 I74 S75 E98L73-K96 HydrophobicContact CD2-CG 4.41Å; I74-K96 CarbonylContact O-C 3.56Å; I74-K96 WeakPolarHBondContact O-CA 3.5Å; I74-K96 PolarHBondContact O-N 3.05Å; S75-K96 WeakPolarHBondContact CA-O 3.5Å; S75-K96 WeakPolarHBondContact CB-O 3.42Å; K96-E98 PolarHBondContact O-N 3.03Å
97I98Very high97.8Very high0 Ų037.8 Ų37.80%020%0.204CC..  trans-76.3112.7178.6-59.7171000108.9L92 V102 L103 L117 C120 P121 V122L92-I97 HydrophobicContact CB-CD1 4.08Å; L92-I97 HydrophobicContact CD1-CD1 3.96Å; L92-I97 HydrophobicContact CG-CD1 4.43Å; I97-V102 HydrophobicContact CG2-CB 4.27Å; I97-V102 HydrophobicContact CG2-CG1 4.17Å; I97-L103 HydrophobicContact CG2-CD2 4.18Å; I97-L117 HydrophobicContact CD1-CD2 3.59Å; I97-C120 HydrophobicContact CB-CB 4.23Å; I97-P121 VanDerWaalsContact O-CD 3.31Å; I97-P121 WeakPolarHBondContact O-CD 3.37Å; I97-V122 HydrophobicContact CB-CG1 4.34Å; I97-V122 HydrophobicContact CG2-CB 4.16Å; I97-V122 HydrophobicContact CG2-CG1 3.94Å; I97-V122 WeakPolarHBondContact O-CB 3.31Å; I97-V122 PolarHBondContact O-N 2.97Å
98E96.7Very high97.7Very high141 Ų14145.3 Ų45.366%0.65924%0.237SC*.  trans-105.4-24.1-173.7-68-178.3-178.400114.6K96 P121K96-E98 PolarHBondContact O-N 3.03Å; E98-P121 HydrophobicContact CB-CB 4.42Å; E98-P121 HydrophobicContact CG-CB 3.82Å; E98-P121 HydrophobicContact CG-CG 3.88Å
99S96.4Very high97.7Very high48 Ų4843 Ų4334%0.33623%0.226SC..  trans-123.8143.2-173.5179.10000112.4D101 V102S99-D101 PolarHBondContact O-N 2.79Å; S99-D101 PolarHBondContact OG-N 3.26Å; S99-V102 WeakPolarHBondContact O-CB 3.23Å; S99-V102 PolarHBondContact O-N 2.82Å
100M96.4Very high97.6Very high15 Ų1544.9 Ų44.97%0.07424%0.244CC..G310 helixtrans-58.9-30.6171.1-67.5-61.4-50.800112.4V102 L103 V122 T125 Y128 K131 A132 M135M100-V102 PolarHBondContact O-N 2.88Å; M100-L103 HydrophobicContact CE-CD1 3.94Å; M100-L103 WeakPolarHBondContact O-CB 3.29Å; M100-L103 PolarHBondContact O-N 3.38Å; M100-L103 HydrophobicContact SD-CD1 4.35Å; M100-V122 HydrophobicContact CG-CG2 4.25Å; M100-V122 HydrophobicContact SD-CG2 3.61Å; M100-T125 HydrophobicContact CG-CG2 4.15Å; M100-Y128 HydrophobicContact SD-CD2 3.88Å; M100-K131 HydrophobicContact CE-CB 3.69Å; M100-K131 HydrophobicContact CG-CD 4.35Å; M100-K131 HydrophobicContact SD-CB 4.45Å; M100-A132 HydrophobicContact CE-CB 4.16Å; M100-M135 HydrophobicContact CB-CE 4.24Å; M100-M135 HydrophobicContact CE-CE 4.35Å
101D96.7Very high97.6Very high111 Ų11148.2 Ų48.259%0.59426%0.26SS*.G310 helixtrans-64.5-26.4-177.7-64.4-29.7000112.4S99 L103 I104S99-D101 PolarHBondContact O-N 2.79Å; S99-D101 PolarHBondContact OG-N 3.26Å; D101-L103 PolarHBondContact O-N 3.31Å; D101-I104 HydrophobicContact CB-CD1 4.05Å; D101-I104 WeakPolarHBondContact O-CB 3.23Å; D101-I104 WeakPolarHBondContact O-CD1 3.47Å; D101-I104 VanDerWaalsContact O-CG1 3.26Å; D101-I104 WeakPolarHBondContact O-CG1 3.26Å; D101-I104 PolarHBondContact O-N 2.83Å
102V96.7Very high97.6Very high35 Ų3547 Ų4721%0.21225%0.253CS..G310 helixtrans-63.6-26.8176.3173.60000111.5L78 I97 S99 M100 P105L78-V102 HydrophobicContact CD1-CG1 3.86Å; L78-V102 WeakPolarHBondContact CD1-O 3.44Å; L78-V102 HydrophobicContact CG-CG1 3.94Å; I97-V102 HydrophobicContact CG2-CB 4.27Å; I97-V102 HydrophobicContact CG2-CG1 4.17Å; S99-V102 WeakPolarHBondContact O-CB 3.23Å; S99-V102 PolarHBondContact O-N 2.82Å; M100-V102 PolarHBondContact O-N 2.88Å; V102-P105 VanDerWaalsContact O-CD 3.23Å; V102-P105 WeakPolarHBondContact O-CD 3.4Å
103L97.3Very high97.5Very high0 Ų050.2 Ų50.20%027%0.267CS..G310 helixtrans-82.6-11.6-178.2-52.4-179000113.1L78 I97 M100 D101 P105 L106 L117 M135L78-L103 HydrophobicContact CD1-CD2 3.94Å; I97-L103 HydrophobicContact CG2-CD2 4.18Å; M100-L103 HydrophobicContact CE-CD1 3.94Å; M100-L103 WeakPolarHBondContact O-CB 3.29Å; M100-L103 PolarHBondContact O-N 3.38Å; M100-L103 HydrophobicContact SD-CD1 4.35Å; D101-L103 PolarHBondContact O-N 3.31Å; L103-P105 VanDerWaalsContact C-N 3.32Å; L103-L106 HydrophobicContact CB-CD1 4.43Å; L103-L106 HydrophobicContact CD2-CD1 4.05Å; L103-L106 VanDerWaalsContact O-CB 3.27Å; L103-L106 WeakPolarHBondContact O-CB 3.5Å; L103-L106 PolarHBondContact O-N 2.79Å; L103-L117 HydrophobicContact CD1-CD1 3.66Å; L103-L117 HydrophobicContact CD2-CD1 3.95Å; L103-L117 HydrophobicContact CD2-CD2 4.16Å; L103-L117 HydrophobicContact CG-CD1 4.48Å; L103-M135 HydrophobicContact CB-SD 3.84Å
104I97.4Very high97.5Very high91 Ų9150 Ų5047%0.46727%0.266SS..G310 helixtrans-51.3-41.8-177.6-68.4170.2000113.4D101 L106 A107 M135D101-I104 HydrophobicContact CB-CD1 4.05Å; D101-I104 WeakPolarHBondContact O-CB 3.23Å; D101-I104 WeakPolarHBondContact O-CD1 3.47Å; D101-I104 VanDerWaalsContact O-CG1 3.26Å; D101-I104 WeakPolarHBondContact O-CG1 3.26Å; D101-I104 PolarHBondContact O-N 2.83Å; I104-L106 PolarHBondContact O-N 3.07Å; I104-A107 WeakPolarHBondContact O-CB 3.18Å; I104-A107 PolarHBondContact O-N 2.79Å; I104-M135 HydrophobicContact CG1-CE 4.06Å; I104-M135 HydrophobicContact CG1-SD 3.87Å
105P97.4Very high97.5Very high26 Ų2648.4 Ų48.417%0.16925%0.254CS..G310 helixtrans-60.3-32.2177.7-2435.6000113.7D79 V102 L103 A107 K108D79-P105 HydrophobicContact CB-CB 4.12Å; D79-P105 HydrophobicContact CB-CG 4.18Å; V102-P105 VanDerWaalsContact O-CD 3.23Å; V102-P105 WeakPolarHBondContact O-CD 3.4Å; L103-P105 VanDerWaalsContact C-N 3.32Å; P105-A107 PolarHBondContact O-N 2.78Å; P105-K108 WeakPolarHBondContact O-CB 3.38Å; P105-K108 PolarHBondContact O-N 2.87Å; P105-K108 VanDerWaalsContact O-N 3.09Å
106L98.1Very high97.5Very high1 Ų150.6 Ų50.61%0.00527%0.266CS..G310 helixtrans-63.2-23.9-177.9-56.4-176.4000112.5L78 L81 L90 L103 I104 K108 L109 L112 L115 I136L78-L106 HydrophobicContact CB-CD2 4.16Å; L78-L106 HydrophobicContact CD1-CD1 4.01Å; L78-L106 HydrophobicContact CD1-CD2 4.21Å; L78-L106 HydrophobicContact CD1-CG 4.11Å; L81-L106 HydrophobicContact CD1-CD2 3.59Å; L90-L106 HydrophobicContact CD2-CD1 4.44Å; L90-L106 HydrophobicContact CD2-CD2 4.03Å; L103-L106 HydrophobicContact CB-CD1 4.43Å; L103-L106 HydrophobicContact CD2-CD1 4.05Å; L103-L106 VanDerWaalsContact O-CB 3.27Å; L103-L106 WeakPolarHBondContact O-CB 3.5Å; L103-L106 PolarHBondContact O-N 2.79Å; I104-L106 PolarHBondContact O-N 3.07Å; L106-K108 PolarHBondContact O-N 2.91Å; L106-L109 HydrophobicContact CD2-CD1 3.93Å; L106-L109 WeakPolarHBondContact O-CB 3.19Å; L106-L109 PolarHBondContact O-N 2.99Å; L106-L112 HydrophobicContact CB-CD2 4.19Å; L106-L115 HydrophobicContact CD1-CD1 4.33Å; L106-L115 HydrophobicContact CD1-CD2 3.9Å; L106-I136 HydrophobicContact CB-CD1 3.77Å; L106-I136 HydrophobicContact CB-CG1 4.21Å; L106-I136 HydrophobicContact CD1-CD1 4.03Å
107A97.5Very high97.5Very high40 Ų4045.5 Ų45.533%0.33124%0.244SC..G310 helixtrans-59.5-1617500000114I104 P105 M135I104-A107 WeakPolarHBondContact O-CB 3.18Å; I104-A107 PolarHBondContact O-N 2.79Å; P105-A107 PolarHBondContact O-N 2.78Å; A107-M135 WeakPolarHBondContact CB-O 3.33Å
108K97.5Very high97.5Very high158 Ų15846.4 Ų46.469%0.68725%0.253SS*.G310 helixtrans-92-9.3177.7-62.8176.6-179.2175.30113.6L82 P105 L106 S110L82-K108 HydrophobicContact CD1-CD 3.89Å; L82-K108 HydrophobicContact CD2-CB 3.68Å; L82-K108 HydrophobicContact CD2-CD 4.27Å; P105-K108 WeakPolarHBondContact O-CB 3.38Å; P105-K108 PolarHBondContact O-N 2.87Å; P105-K108 VanDerWaalsContact O-N 3.09Å; L106-K108 PolarHBondContact O-N 2.91Å; K108-S110 PolarHBondContact O-N 3.24Å
109L97.8Very high97.5Very high3 Ų346 Ų462%0.01626%0.256CS..  trans-83.692.6176.6-62.8176.1000108.7L81 L82 L106 E111 L112 S138L81-L109 HydrophobicContact CB-CD1 4.2Å; L82-L109 HydrophobicContact CD2-CD2 3.94Å; L82-L109 HydrophobicContact CD2-CG 4.22Å; L106-L109 HydrophobicContact CD2-CD1 3.93Å; L106-L109 WeakPolarHBondContact O-CB 3.19Å; L106-L109 PolarHBondContact O-N 2.99Å; L109-E111 PolarHBondContact O-N 3.28Å; L109-L112 HydrophobicContact CB-CB 3.83Å; L109-L112 HydrophobicContact CD1-CD2 4.33Å; L109-L112 WeakPolarHBondContact O-CB 3.35Å; L109-L112 PolarHBondContact O-N 2.96Å; L109-S138 PolarHBondContact O-OG 3.35Å; L109-S138 VanDerWaalsContact O-OG 3.12Å
110S97.1Very high97.6Very high85 Ų8543.9 Ų43.959%0.59424%0.24SC*.THydrogen-bonded Turntrans-64.8-25.5-172.1550000114.2K108 S138K108-S110 PolarHBondContact O-N 3.24Å; S110-S138 VanDerWaalsContact O-CB 3.29Å; S110-S138 WeakPolarHBondContact O-CB 3.25Å
111E97.8Very high97.7Very high76 Ų7645.9 Ų45.936%0.35526%0.255SS..THydrogen-bonded Turntrans-91.6-7.2-178.7-58.3-52131.300113.4I87 E88 L109 K113I87-E111 CarbonylContact O-C 3.39Å; I87-E111 VanDerWaalsContact O-C 3.3Å; E88-E111 WeakPolarHBondContact CA-O 3.36Å; E88-E111 HydrophobicContact CG-CB 4.34Å; L109-E111 PolarHBondContact O-N 3.28Å; E111-K113 WeakPolarHBondContact O-CG 3.35Å; E111-K113 PolarHBondContact O-N 3.19Å; E111-K113 VanDerWaalsContact O-N 3.12Å
112L98.3Very high97.7Very high0 Ų040.6 Ų40.60%023%0.226CC..  trans-68.1110.9-176-17868000110.6I87 L90 L106 L109 I136 S138 L139I87-L112 HydrophobicContact CG2-CD1 4.02Å; I87-L112 VanDerWaalsContact O-CA 3.25Å; I87-L112 WeakPolarHBondContact O-CA 3.37Å; I87-L112 PolarHBondContact O-N 3.02Å; I87-L112 VanDerWaalsContact O-N 3.15Å; L90-L112 HydrophobicContact CB-CD1 3.74Å; L106-L112 HydrophobicContact CB-CD2 4.19Å; L109-L112 HydrophobicContact CB-CB 3.83Å; L109-L112 HydrophobicContact CD1-CD2 4.33Å; L109-L112 WeakPolarHBondContact O-CB 3.35Å; L109-L112 PolarHBondContact O-N 2.96Å; L112-I136 HydrophobicContact CD2-CG2 4.22Å; L112-S138 CarbonylContact O-C 3.49Å; L112-S138 VanDerWaalsContact O-CB 3.26Å; L112-S138 WeakPolarHBondContact O-CB 3.42Å; L112-S138 VanDerWaalsContact O-O 3.1Å; L112-S138 PolarHBondContact O-OG 2.79Å; L112-L139 HydrophobicContact CG-CD1 4.37Å; L112-L139 PolarHBondContact O-N 3.4Å
113K97.8Very high97.7Very high66 Ų6641.2 Ų41.229%0.28723%0.23SC..  trans-106.8-38-176-69.5160.5-161.3166.40112.6E88 E111 K140 Y141E88-K113 HydrophobicContact CB-CD 4.49Å; E88-K113 VanDerWaalsContact CD-NZ 3.27Å; E88-K113 PolarHBondContact O-N 2.56Å; E88-K113 IonicContact OE1-NZ 2.7Å; E88-K113 IonicContact OE2-NZ 2.75Å; E88-K113 PolarHBondContact OE2-NZ 3.19Å; E111-K113 WeakPolarHBondContact O-CG 3.35Å; E111-K113 PolarHBondContact O-N 3.19Å; E111-K113 VanDerWaalsContact O-N 3.12Å; K113-K140 HydrophobicContact CG-CD 4.35Å; K113-K140 WeakPolarHBondContact O-CA 3.38Å; K113-K140 PolarHBondContact O-N 3.38Å; K113-Y141 PolarHBondContact O-N 3.47Å
114S98.2Very high97.7Very high12 Ų1246.4 Ų46.48%0.08427%0.267CS..EExtended strand (participates in β ladder)trans-124.4131.3-179-167.20000110.9E88 L90 Y141 E152E88-S114 PolarHBondContact O-N 3.05Å; L90-S114 PolarHBondContact N-O 2.74Å; S114-Y141 WeakPolarHBondContact CA-O 3.17Å; S114-E152 VanDerWaalsContact CB-OE2 3.29Å; S114-E152 WeakPolarHBondContact CB-OE2 3.38Å; S114-E152 PolarHBondContact OG-OE1 3.04Å; S114-E152 PolarHBondContact OG-OE2 2.78Å
115L98.5Very high97.6Very high0 Ų044.2 Ų44.20%026%0.258CS..EExtended strand (participates in β ladder)trans-132.6124.9177.8175.660.3000109.4L90 L92 L106 L117 I136 L139 Y141 L142 D143L90-L115 HydrophobicContact CB-CD1 4.2Å; L90-L115 HydrophobicContact CD2-CD1 4Å; L90-L115 HydrophobicContact CG-CD1 4.02Å; L90-L115 WeakPolarHBondContact O-CA 3.28Å; L92-L115 HydrophobicContact CD1-CD1 4.28Å; L106-L115 HydrophobicContact CD1-CD1 4.33Å; L106-L115 HydrophobicContact CD1-CD2 3.9Å; L115-L117 HydrophobicContact CD1-CD2 4.37Å; L115-L117 HydrophobicContact CD1-CG 4.19Å; L115-L117 HydrophobicContact CD2-CD1 3.89Å; L115-L117 HydrophobicContact CD2-CG 4.23Å; L115-L117 HydrophobicContact CG-CD1 4.2Å; L115-L117 HydrophobicContact CG-CG 4.02Å; L115-I136 HydrophobicContact CD2-CD1 3.76Å; L115-L139 HydrophobicContact CB-CD1 3.51Å; L115-L139 HydrophobicContact CB-CD2 4.31Å; L115-Y141 PolarHBondContact N-O 3.36Å; L115-L142 HydrophobicContact CB-CD1 4.27Å; L115-L142 HydrophobicContact CD2-CD1 4.26Å; L115-L142 HydrophobicContact CG-CD1 4.19Å; L115-L142 CarbonylContact O-C 3.15Å; L115-L142 VanDerWaalsContact O-CA 3.29Å; L115-L142 WeakPolarHBondContact O-CA 3.35Å; L115-L142 WeakPolarHBondContact O-CD1 3.19Å; L115-D143 PolarHBondContact O-N 3.23Å
116D98.4Very high97.5Very high48 Ų4850 Ų5026%0.25728%0.283SS..EExtended strand (participates in β ladder)trans-110121.9171.7-167.4-19.2000110L90 N91 L92 S93 G118L90-D116 PolarHBondContact O-N 2.79Å; N91-D116 HydrophobicContact CB-CB 4.38Å; L92-D116 CarbonylContact C-O 3.17Å; L92-D116 WeakPolarHBondContact CA-O 3.49Å; L92-D116 PolarHBondContact N-O 3.45Å; S93-D116 PolarHBondContact N-O 2.88Å; D116-G118 WeakPolarHBondContact OD1-CA 3.5Å; D116-G118 PolarHBondContact OD1-N 2.93Å
117L98.4Very high97.4Very high0 Ų054.3 Ų54.30%031%0.305CS..  trans-122.314.6174.2-66.1166.6000111.1L92 I97 L103 L115 C120 V122 T123 Y128 L142 D143L92-L117 HydrophobicContact CB-CD2 3.85Å; L92-L117 HydrophobicContact CD1-CD2 4.24Å; I97-L117 HydrophobicContact CD1-CD2 3.59Å; L103-L117 HydrophobicContact CD1-CD1 3.66Å; L103-L117 HydrophobicContact CD2-CD1 3.95Å; L103-L117 HydrophobicContact CD2-CD2 4.16Å; L103-L117 HydrophobicContact CG-CD1 4.48Å; L115-L117 HydrophobicContact CD1-CD2 4.37Å; L115-L117 HydrophobicContact CD1-CG 4.19Å; L115-L117 HydrophobicContact CD2-CD1 3.89Å; L115-L117 HydrophobicContact CD2-CG 4.23Å; L115-L117 HydrophobicContact CG-CD1 4.2Å; L115-L117 HydrophobicContact CG-CG 4.02Å; L117-C120 WeakPolarHBondContact O-CB 3.49Å; L117-C120 PolarHBondContact O-N 2.91Å; L117-C120 PolarHBondContact O-SG 3.28Å; L117-V122 HydrophobicContact CB-CG1 4.44Å; L117-V122 HydrophobicContact CD1-CG1 4.35Å; L117-T123 HydrophobicContact CB-CG2 4.44Å; L117-T123 WeakPolarHBondContact O-CG2 3.47Å; L117-Y128 WeakPolarHBondContact CB-OH 3.39Å; L117-Y128 HydrophobicContact CD1-CE2 4Å; L117-L142 HydrophobicContact CD1-CD1 4.44Å; L117-D143 WeakPolarHBondContact CA-OD1 3.36Å; L117-D143 PolarHBondContact N-OD1 2.93Å
118G97.2Very high97.3Very high18 Ų1853.1 Ų53.119%0.18629%0.292CS..THydrogen-bonded Turntrans-47.114117800000111.6S93 S94 D116 C120 D143S93-G118 CarbonylContact C-O 3.5Å; S93-G118 WeakPolarHBondContact CA-O 3.44Å; S93-G118 VanDerWaalsContact CB-O 3.3Å; S93-G118 WeakPolarHBondContact CB-O 3.49Å; S94-G118 PolarHBondContact N-O 2.83Å; D116-G118 WeakPolarHBondContact OD1-CA 3.5Å; D116-G118 PolarHBondContact OD1-N 2.93Å; G118-C120 PolarHBondContact O-N 3.35Å; G118-D143 PolarHBondContact N-OD1 3.02Å
119N97.3Very high97.3Very high134 Ų13448.3 Ų48.372%0.71727%0.27SS*.THydrogen-bonded Turntrans58.513.8-176.5-55.1-41.2000116
120C98.1Very high97.2Very high2 Ų255.5 Ų55.51%0.01430%0.301CS..SBendtrans-86.2146.3163.9-67.20000110.8L92 N95 I97 L117 G118 V122 T123L92-C120 PolarHBondContact O-SG 2.82Å; N95-C120 PolarHBondContact N-SG 2.9Å; N95-C120 VanDerWaalsContact N-SG 3.44Å; I97-C120 HydrophobicContact CB-CB 4.23Å; L117-C120 WeakPolarHBondContact O-CB 3.49Å; L117-C120 PolarHBondContact O-N 2.91Å; L117-C120 PolarHBondContact O-SG 3.28Å; G118-C120 PolarHBondContact O-N 3.35Å; C120-V122 HydrophobicContact CB-CG1 3.89Å; C120-V122 PolarHBondContact O-N 3.48Å; C120-V122 VanDerWaalsContact O-N 3.11Å; C120-T123 WeakPolarHBondContact O-CB 3.29Å; C120-T123 WeakPolarHBondContact O-CG2 3.23Å; C120-T123 PolarHBondContact O-N 3.13Å; C120-T123 VanDerWaalsContact O-N 3.09Å; C120-T123 PolarHBondContact O-OG1 2.89Å
121P97.7Very high97.2Very high58 Ų5855.6 Ų55.638%0.37729%0.291SS..G310 helixtrans-56.3-29.4177.5-25.632.9000114.8I97 E98 T123 S124I97-P121 VanDerWaalsContact O-CD 3.31Å; I97-P121 WeakPolarHBondContact O-CD 3.37Å; E98-P121 HydrophobicContact CB-CB 4.42Å; E98-P121 HydrophobicContact CG-CB 3.82Å; E98-P121 HydrophobicContact CG-CG 3.88Å; P121-T123 PolarHBondContact O-N 3.37Å; P121-T123 VanDerWaalsContact O-N 3.17Å; P121-S124 WeakPolarHBondContact O-CB 3.25Å; P121-S124 PolarHBondContact O-N 3.14Å; P121-S124 VanDerWaalsContact O-N 3.11Å
122V97.6Very high97.2Very high0 Ų052 Ų520%027%0.274CS..G310 helixtrans-57.3-28.9177.368.20000113.2I97 M100 L117 C120 S124 T125 Y128I97-V122 HydrophobicContact CB-CG1 4.34Å; I97-V122 HydrophobicContact CG2-CB 4.16Å; I97-V122 HydrophobicContact CG2-CG1 3.94Å; I97-V122 WeakPolarHBondContact O-CB 3.31Å; I97-V122 PolarHBondContact O-N 2.97Å; M100-V122 HydrophobicContact CG-CG2 4.25Å; M100-V122 HydrophobicContact SD-CG2 3.61Å; L117-V122 HydrophobicContact CB-CG1 4.44Å; L117-V122 HydrophobicContact CD1-CG1 4.35Å; C120-V122 HydrophobicContact CB-CG1 3.89Å; C120-V122 PolarHBondContact O-N 3.48Å; C120-V122 VanDerWaalsContact O-N 3.11Å; V122-S124 PolarHBondContact O-N 3.03Å; V122-S124 VanDerWaalsContact O-N 3.16Å; V122-T125 WeakPolarHBondContact O-CB 3.23Å; V122-T125 PolarHBondContact O-N 3.22Å; V122-T125 PolarHBondContact O-OG1 2.97Å; V122-Y128 HydrophobicContact CG1-CE2 4.29Å; V122-Y128 HydrophobicContact CG2-CD2 4.29Å
123T96.8Very high97.1Very high47 Ų4753.2 Ų53.229%0.28828%0.279SS..G310 helixtrans-62-22.7179.161.70000113L117 C120 P121 T125 Y128L117-T123 HydrophobicContact CB-CG2 4.44Å; L117-T123 WeakPolarHBondContact O-CG2 3.47Å; C120-T123 WeakPolarHBondContact O-CB 3.29Å; C120-T123 WeakPolarHBondContact O-CG2 3.23Å; C120-T123 PolarHBondContact O-N 3.13Å; C120-T123 VanDerWaalsContact O-N 3.09Å; C120-T123 PolarHBondContact O-OG1 2.89Å; P121-T123 PolarHBondContact O-N 3.37Å; P121-T123 VanDerWaalsContact O-N 3.17Å; T123-T125 VanDerWaalsContact C-N 3.27Å; T123-T125 PolarHBondContact O-N 3.35Å; T123-Y128 HydrophobicContact CG2-CE1 4.17Å
124S96.6Very high97.1Very high110 Ų11054 Ų5477%0.76930%0.298SS*.G310 helixtrans-81.8-1.9175.6-62.70000113.6P121 V122P121-S124 WeakPolarHBondContact O-CB 3.25Å; P121-S124 PolarHBondContact O-N 3.14Å; P121-S124 VanDerWaalsContact O-N 3.11Å; V122-S124 PolarHBondContact O-N 3.03Å; V122-S124 VanDerWaalsContact O-N 3.16Å
125T95.7Very high97Very high45 Ų4555.8 Ų55.828%0.27631%0.306SS..SBendtrans-70.1139.1179.6-55.70000111.2M100 V122 T123 N127 Y128M100-T125 HydrophobicContact CG-CG2 4.15Å; V122-T125 WeakPolarHBondContact O-CB 3.23Å; V122-T125 PolarHBondContact O-N 3.22Å; V122-T125 PolarHBondContact O-OG1 2.97Å; T123-T125 VanDerWaalsContact C-N 3.27Å; T123-T125 PolarHBondContact O-N 3.35Å; T125-N127 PolarHBondContact O-N 3.2Å; T125-Y128 WeakPolarHBondContact O-CB 3.24Å; T125-Y128 PolarHBondContact O-N 3.3Å
126E95.8Very high96.9Very high148 Ų14855.8 Ų55.869%0.69231%0.306SS*.THydrogen-bonded Turntrans-58.6131.3176-163.1-159.5153.700111.5Y128 K131E126-Y128 PolarHBondContact O-N 3.21Å; E126-K131 WeakPolarHBondContact O-CE 3.42Å; E126-K131 PolarHBondContact O-NZ 2.75Å
127N95.2Very high96.8Very high91 Ų9158.6 Ų58.649%0.48733%0.327SS..THydrogen-bonded Turntrans58.128.6-176.8-56.5-63.3000113.5T125 R129 K130 K131T125-N127 PolarHBondContact O-N 3.2Å; N127-R129 PolarHBondContact O-N 2.87Å; N127-K130 HydrophobicContact CB-CB 4.47Å; N127-K130 PolarHBondContact O-N 2.7Å; N127-K131 HydrophobicContact CB-CG 4.45Å; N127-K131 WeakPolarHBondContact O-CG 3.42Å; N127-K131 PolarHBondContact O-N 3.23Å
128Y96.7Very high96.8Very high14 Ų1460 Ų606%0.05534%0.336CS..Hα-helixtrans-44.8-59.6-178.4156.2-108.8000113M100 L117 V122 T123 T125 E126 K130 K131 A132 L142 D143M100-Y128 HydrophobicContact SD-CD2 3.88Å; L117-Y128 WeakPolarHBondContact CB-OH 3.39Å; L117-Y128 HydrophobicContact CD1-CE2 4Å; V122-Y128 HydrophobicContact CG1-CE2 4.29Å; V122-Y128 HydrophobicContact CG2-CD2 4.29Å; T123-Y128 HydrophobicContact CG2-CE1 4.17Å; T125-Y128 WeakPolarHBondContact O-CB 3.24Å; T125-Y128 PolarHBondContact O-N 3.3Å; E126-Y128 PolarHBondContact O-N 3.21Å; Y128-K130 PolarHBondContact O-N 2.99Å; Y128-K131 PolarHBondContact O-N 3.4Å; Y128-K131 VanDerWaalsContact O-N 3.14Å; Y128-A132 HydrophobicContact CE2-CB 4.49Å; Y128-A132 WeakPolarHBondContact O-CB 3.38Å; Y128-A132 PolarHBondContact O-N 2.91Å; Y128-L142 HydrophobicContact CE1-CD2 4.07Å; Y128-L142 HydrophobicContact CE1-CG 4.5Å; Y128-L142 VanDerWaalsContact OH-CD1 3.31Å; Y128-L142 WeakPolarHBondContact OH-CD1 3.38Å; Y128-D143 WeakPolarHBondContact CE1-OD2 3.42Å; Y128-D143 PolarHBondContact OH-OD1 3.14Å; Y128-D143 PolarHBondContact OH-OD2 2.78Å
129R96.7Very high96.8Very high57 Ų5759.8 Ų59.822%0.21533%0.331CS..Hα-helixtrans-55.5-49.8-179.2-65.4-176.165.774.23.2112.3N127 K131 A132 F133 L142 D143 L145 D146N127-R129 PolarHBondContact O-N 2.87Å; R129-K131 VanDerWaalsContact C-N 3.33Å; R129-K131 PolarHBondContact O-N 2.73Å; R129-A132 PolarHBondContact O-N 2.9Å; R129-F133 WeakPolarHBondContact O-CD2 3.49Å; R129-F133 PolarHBondContact O-N 2.77Å; R129-L142 HydrophobicContact CB-CD2 4.13Å; R129-L142 HydrophobicContact CG-CD2 4.07Å; R129-L142 PolarHBondContact NH1-O 2.78Å; R129-L142 PolarHBondContact NH2-O 3.26Å; R129-D143 IonicContact NH1-OD2 3.6Å; R129-L145 VanDerWaalsContact NH2-C 3.34Å; R129-L145 VanDerWaalsContact NH2-CB 3.31Å; R129-L145 PolarHBondContact NH2-O 2.95Å; R129-D146 PolarHBondContact NH2-O 3.21Å
130K96.2Very high96.8Very high154 Ų15459.4 Ų59.467%0.6732%0.323SS*.Hα-helixtrans-61.4-40179.9-175173.7-177.1172.50112.4N127 Y128 A134N127-K130 HydrophobicContact CB-CB 4.47Å; N127-K130 PolarHBondContact O-N 2.7Å; Y128-K130 PolarHBondContact O-N 2.99Å; K130-A134 VanDerWaalsContact O-CB 3.25Å; K130-A134 WeakPolarHBondContact O-CB 3.32Å; K130-A134 PolarHBondContact O-N 3.28Å; K130-A134 VanDerWaalsContact O-N 3.11Å
131K96.8Very high96.7Very high88 Ų8862.2 Ų62.238%0.38333%0.334SS..Hα-helixtrans-69.5-39.2176.8-71.3173.6175.8162.90111.5M100 E126 N127 Y128 R129 A134 M135M100-K131 HydrophobicContact CE-CB 3.69Å; M100-K131 HydrophobicContact CG-CD 4.35Å; M100-K131 HydrophobicContact SD-CB 4.45Å; E126-K131 WeakPolarHBondContact O-CE 3.42Å; E126-K131 PolarHBondContact O-NZ 2.75Å; N127-K131 HydrophobicContact CB-CG 4.45Å; N127-K131 WeakPolarHBondContact O-CG 3.42Å; N127-K131 PolarHBondContact O-N 3.23Å; Y128-K131 PolarHBondContact O-N 3.4Å; Y128-K131 VanDerWaalsContact O-N 3.14Å; R129-K131 VanDerWaalsContact C-N 3.33Å; R129-K131 PolarHBondContact O-N 2.73Å; K131-A134 PolarHBondContact O-N 3.26Å; K131-M135 WeakPolarHBondContact O-CB 3.5Å; K131-M135 PolarHBondContact O-N 3.23Å
132A97.1Very high96.8Very high0 Ų059.5 Ų59.50%032%0.316CS..Hα-helixtrans-63.8-52.1178.300000111.5M100 Y128 R129 A134 M135 I136 L142M100-A132 HydrophobicContact CE-CB 4.16Å; Y128-A132 HydrophobicContact CE2-CB 4.49Å; Y128-A132 WeakPolarHBondContact O-CB 3.38Å; Y128-A132 PolarHBondContact O-N 2.91Å; R129-A132 PolarHBondContact O-N 2.9Å; A132-A134 VanDerWaalsContact C-N 3.3Å; A132-A134 PolarHBondContact O-N 3.2Å; A132-M135 PolarHBondContact O-N 3.26Å; A132-I136 PolarHBondContact O-N 2.84Å; A132-L142 HydrophobicContact CB-CD1 4.49Å; A132-L142 HydrophobicContact CB-CD2 3.55Å
133F97.4Very high96.7Very high25 Ų2561.5 Ų61.511%0.1133%0.326CS..Hα-helixtrans-59.6-38.3175.1-75.6-63.9000112.8R129 M135 L139 L142 E147R129-F133 WeakPolarHBondContact O-CD2 3.49Å; R129-F133 PolarHBondContact O-N 2.77Å; F133-M135 VanDerWaalsContact C-N 3.31Å; F133-M135 PolarHBondContact O-N 3.4Å; F133-L139 HydrophobicContact CD1-CB 4.37Å; F133-L139 HydrophobicContact CD1-CD2 4.11Å; F133-L139 HydrophobicContact CD1-CG 4.38Å; F133-L139 HydrophobicContact CE1-CD2 4.11Å; F133-L139 HydrophobicContact CE1-CG 4.22Å; F133-L142 HydrophobicContact CD2-CD2 4.48Å; F133-L142 HydrophobicContact CE1-CB 4.19Å; F133-L142 HydrophobicContact CE2-CB 3.96Å; F133-L142 HydrophobicContact CE2-CD2 4.2Å; F133-L142 HydrophobicContact CZ-CB 3.59Å; F133-E147 HydrophobicContact CD2-CB 4.45Å; F133-E147 HydrophobicContact CD2-CG 4.43Å; F133-E147 HydrophobicContact CE2-CB 4.38Å
134A96.9Very high96.6Very high82 Ų8260.7 Ų60.768%0.67833%0.328SS*.Hα-helixtrans-70.1-27.3175.800000113.4K130 K131 A132K130-A134 VanDerWaalsContact O-CB 3.25Å; K130-A134 WeakPolarHBondContact O-CB 3.32Å; K130-A134 PolarHBondContact O-N 3.28Å; K130-A134 VanDerWaalsContact O-N 3.11Å; K131-A134 PolarHBondContact O-N 3.26Å; A132-A134 VanDerWaalsContact C-N 3.3Å; A132-A134 PolarHBondContact O-N 3.2Å
135M96.2Very high96.6Very high50 Ų5058 Ų5825%0.24630%0.304CS..Hα-helixtrans-84.5-34.5-178-177177.6-67.500112.4M100 L103 I104 A107 K131 A132 F133 P137M100-M135 HydrophobicContact CB-CE 4.24Å; M100-M135 HydrophobicContact CE-CE 4.35Å; L103-M135 HydrophobicContact CB-SD 3.84Å; I104-M135 HydrophobicContact CG1-CE 4.06Å; I104-M135 HydrophobicContact CG1-SD 3.87Å; A107-M135 WeakPolarHBondContact CB-O 3.33Å; K131-M135 WeakPolarHBondContact O-CB 3.5Å; K131-M135 PolarHBondContact O-N 3.23Å; A132-M135 PolarHBondContact O-N 3.26Å; F133-M135 VanDerWaalsContact C-N 3.31Å; F133-M135 PolarHBondContact O-N 3.4Å; M135-P137 WeakPolarHBondContact O-CD 3.45Å
136I97.1Very high96.6Very high0 Ų057 Ų570%030%0.298CS..  trans-11790.7-175-52.4172.5000108.4L106 L112 L115 A132 S138 L139L106-I136 HydrophobicContact CB-CD1 3.77Å; L106-I136 HydrophobicContact CB-CG1 4.21Å; L106-I136 HydrophobicContact CD1-CD1 4.03Å; L112-I136 HydrophobicContact CD2-CG2 4.22Å; L115-I136 HydrophobicContact CD2-CD1 3.76Å; A132-I136 PolarHBondContact O-N 2.84Å; I136-S138 VanDerWaalsContact C-N 3.26Å; I136-S138 PolarHBondContact O-N 3.41Å; I136-L139 HydrophobicContact CB-CB 4.09Å; I136-L139 HydrophobicContact CG2-CB 3.91Å; I136-L139 VanDerWaalsContact O-CB 3.27Å; I136-L139 WeakPolarHBondContact O-CB 3.37Å; I136-L139 PolarHBondContact O-N 2.93Å; I136-L139 VanDerWaalsContact O-N 3.15Å
137P95.9Very high96.5Very high108 Ų10856.8 Ų56.870%0.70130%0.297SS*.THydrogen-bonded Turntrans-68.2-19.7-169.3-22.134.7000115.2M135 L139M135-P137 WeakPolarHBondContact O-CD 3.45Å; P137-L139 VanDerWaalsContact C-N 3.32Å
138S97.3Very high96.5Very high29 Ų2958.1 Ų58.120%0.20330%0.304CS..THydrogen-bonded Turntrans-79.3-17.3177.657.70000113L109 S110 L112 I136 K140L109-S138 PolarHBondContact O-OG 3.35Å; L109-S138 VanDerWaalsContact O-OG 3.12Å; S110-S138 VanDerWaalsContact O-CB 3.29Å; S110-S138 WeakPolarHBondContact O-CB 3.25Å; L112-S138 CarbonylContact O-C 3.49Å; L112-S138 VanDerWaalsContact O-CB 3.26Å; L112-S138 WeakPolarHBondContact O-CB 3.42Å; L112-S138 VanDerWaalsContact O-O 3.1Å; L112-S138 PolarHBondContact O-OG 2.79Å; I136-S138 VanDerWaalsContact C-N 3.26Å; I136-S138 PolarHBondContact O-N 3.41Å; S138-K140 PolarHBondContact O-N 2.97Å
139L97.7Very high96.3Very high14 Ų1462.5 Ų62.57%0.07333%0.328CS..  trans-70.7128.6-169.4-164.871.4000111.4L112 L115 F133 I136 P137 Y141 L142L112-L139 HydrophobicContact CG-CD1 4.37Å; L112-L139 PolarHBondContact O-N 3.4Å; L115-L139 HydrophobicContact CB-CD1 3.51Å; L115-L139 HydrophobicContact CB-CD2 4.31Å; F133-L139 HydrophobicContact CD1-CB 4.37Å; F133-L139 HydrophobicContact CD1-CD2 4.11Å; F133-L139 HydrophobicContact CD1-CG 4.38Å; F133-L139 HydrophobicContact CE1-CD2 4.11Å; F133-L139 HydrophobicContact CE1-CG 4.22Å; I136-L139 HydrophobicContact CB-CB 4.09Å; I136-L139 HydrophobicContact CG2-CB 3.91Å; I136-L139 VanDerWaalsContact O-CB 3.27Å; I136-L139 WeakPolarHBondContact O-CB 3.37Å; I136-L139 PolarHBondContact O-N 2.93Å; I136-L139 VanDerWaalsContact O-N 3.15Å; P137-L139 VanDerWaalsContact C-N 3.32Å; L139-Y141 WeakPolarHBondContact CD1-O 3.33Å; L139-Y141 WeakPolarHBondContact CG-O 3.33Å; L139-L142 HydrophobicContact CD2-CB 4.09Å; L139-L142 HydrophobicContact CD2-CD1 4.14Å
140K96.8Very high96.1Very high125 Ų12565.9 Ų65.954%0.54335%0.346SS..  trans-104.3-40175.9-64.6-174.7179.2-178.90111.9K113 S138 D146K113-K140 HydrophobicContact CG-CD 4.35Å; K113-K140 WeakPolarHBondContact O-CA 3.38Å; K113-K140 PolarHBondContact O-N 3.38Å; S138-K140 PolarHBondContact O-N 2.97Å; K140-D146 WeakPolarHBondContact O-CA 3.13Å
141Y97.9Very high95.8Very high62 Ų6266 Ų6624%0.24335%0.349CS..EExtended strand (participates in β ladder)trans-126.3135.8-176.5-58.2-84000110.4K113 S114 L115 L139 L145 D146 E152K113-Y141 PolarHBondContact O-N 3.47Å; S114-Y141 WeakPolarHBondContact CA-O 3.17Å; L115-Y141 PolarHBondContact N-O 3.36Å; L139-Y141 WeakPolarHBondContact CD1-O 3.33Å; L139-Y141 WeakPolarHBondContact CG-O 3.33Å; Y141-L145 WeakPolarHBondContact CA-O 3.36Å; Y141-D146 HydrophobicContact CD1-CB 3.94Å; Y141-D146 HydrophobicContact CE1-CB 3.92Å; Y141-E152 WeakPolarHBondContact CB-OE2 3.42Å; Y141-E152 HydrophobicContact CD1-CB 3.59Å; Y141-E152 HydrophobicContact CD1-CG 3.77Å; Y141-E152 HydrophobicContact CD2-CB 4.45Å; Y141-E152 VanDerWaalsContact CD2-CD 3.41Å; Y141-E152 HydrophobicContact CD2-CG 3.71Å; Y141-E152 WeakPolarHBondContact CD2-OE2 3.3Å; Y141-E152 HydrophobicContact CE1-CB 3.85Å; Y141-E152 HydrophobicContact CE1-CG 3.92Å; Y141-E152 HydrophobicContact CE2-CG 3.85Å; Y141-E152 HydrophobicContact CG-CB 3.91Å; Y141-E152 HydrophobicContact CG-CG 3.65Å; Y141-E152 VanDerWaalsContact CG-OE2 3.24Å
142L98Very high95Very high0 Ų063.4 Ų63.40%034%0.339CS..EExtended strand (participates in β ladder)trans-129.5123.7176.5-17963.7000107.9L115 L117 Y128 R129 A132 F133 L139 G144 L145L115-L142 HydrophobicContact CB-CD1 4.27Å; L115-L142 HydrophobicContact CD2-CD1 4.26Å; L115-L142 HydrophobicContact CG-CD1 4.19Å; L115-L142 CarbonylContact O-C 3.15Å; L115-L142 VanDerWaalsContact O-CA 3.29Å; L115-L142 WeakPolarHBondContact O-CA 3.35Å; L115-L142 WeakPolarHBondContact O-CD1 3.19Å; L117-L142 HydrophobicContact CD1-CD1 4.44Å; Y128-L142 HydrophobicContact CE1-CD2 4.07Å; Y128-L142 HydrophobicContact CE1-CG 4.5Å; Y128-L142 VanDerWaalsContact OH-CD1 3.31Å; Y128-L142 WeakPolarHBondContact OH-CD1 3.38Å; R129-L142 HydrophobicContact CB-CD2 4.13Å; R129-L142 HydrophobicContact CG-CD2 4.07Å; R129-L142 PolarHBondContact NH1-O 2.78Å; R129-L142 PolarHBondContact NH2-O 3.26Å; A132-L142 HydrophobicContact CB-CD1 4.49Å; A132-L142 HydrophobicContact CB-CD2 3.55Å; F133-L142 HydrophobicContact CD2-CD2 4.48Å; F133-L142 HydrophobicContact CE1-CB 4.19Å; F133-L142 HydrophobicContact CE2-CB 3.96Å; F133-L142 HydrophobicContact CE2-CD2 4.2Å; F133-L142 HydrophobicContact CZ-CB 3.59Å; L139-L142 HydrophobicContact CD2-CB 4.09Å; L139-L142 HydrophobicContact CD2-CD1 4.14Å; L142-G144 PolarHBondContact O-N 3.24Å; L142-L145 PolarHBondContact N-O 3.33Å; L142-L145 PolarHBondContact O-N 3.46Å
143D96.7Very high94Very high42 Ų4269.8 Ų69.823%0.22538%0.377CS..THydrogen-bonded Turntrans51.442.3-178.7-45.8-48.8000112L115 L117 G118 Y128 R129 L145L115-D143 PolarHBondContact O-N 3.23Å; L117-D143 WeakPolarHBondContact CA-OD1 3.36Å; L117-D143 PolarHBondContact N-OD1 2.93Å; G118-D143 PolarHBondContact N-OD1 3.02Å; Y128-D143 WeakPolarHBondContact CE1-OD2 3.42Å; Y128-D143 PolarHBondContact OH-OD1 3.14Å; Y128-D143 PolarHBondContact OH-OD2 2.78Å; R129-D143 IonicContact NH1-OD2 3.6Å; D143-L145 VanDerWaalsContact C-N 3.32Å; D143-L145 PolarHBondContact O-N 3.44Å
144G94.7Very high92.2Very high31 Ų3173 Ų7332%0.3239%0.391SS..THydrogen-bonded Turntrans77.93.6179.700000116.3L142 E151 E152L142-G144 PolarHBondContact O-N 3.24Å; G144-E151 WeakPolarHBondContact O-CA 3.09Å; G144-E152 PolarHBondContact O-N 2.82Å
145L96.4Very high90Very high52 Ų5271.4 Ų71.427%0.27238%0.383SS..BIsolated β-bridgetrans-129.8144.2-175.6-63.8175.4000112R129 Y141 L142 D143 E150 E151R129-L145 VanDerWaalsContact NH2-C 3.34Å; R129-L145 VanDerWaalsContact NH2-CB 3.31Å; R129-L145 PolarHBondContact NH2-O 2.95Å; Y141-L145 WeakPolarHBondContact CA-O 3.36Å; L142-L145 PolarHBondContact N-O 3.33Å; L142-L145 PolarHBondContact O-N 3.46Å; D143-L145 VanDerWaalsContact C-N 3.32Å; D143-L145 PolarHBondContact O-N 3.44Å; L145-E150 CarbonylContact C-O 3.38Å; L145-E150 VanDerWaalsContact CA-O 3.31Å; L145-E150 WeakPolarHBondContact CA-O 3.41Å; L145-E151 HydrophobicContact CD2-CG 3.83Å
146D95.8Very high87.6Confident25 Ų2575.1 Ų75.113%0.13440%0.404CS..  trans-77.9-173174.484.8-18.9000113.6R129 K140 Y141 N148 N149 E150R129-D146 PolarHBondContact NH2-O 3.21Å; K140-D146 WeakPolarHBondContact O-CA 3.13Å; Y141-D146 HydrophobicContact CD1-CB 3.94Å; Y141-D146 HydrophobicContact CE1-CB 3.92Å; D146-N148 PolarHBondContact O-N 3.14Å; D146-N148 VanDerWaalsContact OD1-C 3.22Å; D146-N148 VanDerWaalsContact OD1-CA 3.23Å; D146-N148 WeakPolarHBondContact OD1-CA 3.17Å; D146-N148 WeakPolarHBondContact OD1-CB 3.39Å; D146-N148 PolarHBondContact OD1-N 3.08Å; D146-N148 PolarHBondContact OD2-ND2 3.31Å; D146-N149 PolarHBondContact O-N 3.37Å; D146-N149 PolarHBondContact OD1-N 3.06Å; D146-E150 PolarHBondContact N-O 3.15Å; D146-E150 PolarHBondContact OD1-N 3.38Å
147E93.9Very high85.3Confident144 Ų14481.5 Ų81.567%0.67344%0.438SS*.THydrogen-bonded Turntrans-64.2-23.4175.8-167.2176.5-167.600112.8F133F133-E147 HydrophobicContact CD2-CB 4.45Å; F133-E147 HydrophobicContact CD2-CG 4.43Å; F133-E147 HydrophobicContact CE2-CB 4.38Å
148N93.9Very high83.1Confident118 Ų11882 Ų8263%0.63143%0.429SS*.THydrogen-bonded Turntrans-93.91.4179.3-51.8-62.1000113.6D146 E150D146-N148 PolarHBondContact O-N 3.14Å; D146-N148 VanDerWaalsContact OD1-C 3.22Å; D146-N148 VanDerWaalsContact OD1-CA 3.23Å; D146-N148 WeakPolarHBondContact OD1-CA 3.17Å; D146-N148 WeakPolarHBondContact OD1-CB 3.39Å; D146-N148 PolarHBondContact OD1-N 3.08Å; D146-N148 PolarHBondContact OD2-ND2 3.31Å; N148-E150 HydrophobicContact CB-CG 4.36Å
149N92.9Very high80.8Confident106 Ų10688.4 Ų88.457%0.56746%0.46SS*.SBendtrans6433.4-171.9-55.8-35.6000114.4D146D146-N149 PolarHBondContact O-N 3.37Å; D146-N149 PolarHBondContact OD1-N 3.06Å
150E92.5Very high78.3Confident129 Ų12993.5 Ų93.560%0.60349%0.488SS*.  trans-91141.2167.9-60.9-173.2172.700110.1L145 D146 N148L145-E150 CarbonylContact C-O 3.38Å; L145-E150 VanDerWaalsContact CA-O 3.31Å; L145-E150 WeakPolarHBondContact CA-O 3.41Å; D146-E150 PolarHBondContact N-O 3.15Å; D146-E150 PolarHBondContact OD1-N 3.38Å; N148-E150 HydrophobicContact CB-CG 4.36Å
151E89.6Confident75.7Confident157 Ų15790.1 Ų90.173%0.73449%0.488SS*.BIsolated β-bridgetrans-67.1146.7-178.9-70.7179.2-178.300112.1G144 L145 V153G144-E151 WeakPolarHBondContact O-CA 3.09Å; L145-E151 HydrophobicContact CD2-CG 3.83Å; E151-V153 PolarHBondContact O-N 2.99Å; E151-V153 VanDerWaalsContact O-N 3.08Å
152E81.2Confident73Confident33 Ų3390.1 Ų90.115%0.15451%0.507CS..  trans-66.3106.5172-166.316131.700110.4S114 Y141 G144 F154S114-E152 VanDerWaalsContact CB-OE2 3.29Å; S114-E152 WeakPolarHBondContact CB-OE2 3.38Å; S114-E152 PolarHBondContact OG-OE1 3.04Å; S114-E152 PolarHBondContact OG-OE2 2.78Å; Y141-E152 WeakPolarHBondContact CB-OE2 3.42Å; Y141-E152 HydrophobicContact CD1-CB 3.59Å; Y141-E152 HydrophobicContact CD1-CG 3.77Å; Y141-E152 HydrophobicContact CD2-CB 4.45Å; Y141-E152 VanDerWaalsContact CD2-CD 3.41Å; Y141-E152 HydrophobicContact CD2-CG 3.71Å; Y141-E152 WeakPolarHBondContact CD2-OE2 3.3Å; Y141-E152 HydrophobicContact CE1-CB 3.85Å; Y141-E152 HydrophobicContact CE1-CG 3.92Å; Y141-E152 HydrophobicContact CE2-CG 3.85Å; Y141-E152 HydrophobicContact CG-CB 3.91Å; Y141-E152 HydrophobicContact CG-CG 3.65Å; Y141-E152 VanDerWaalsContact CG-OE2 3.24Å; G144-E152 PolarHBondContact O-N 2.82Å; E152-F154 VanDerWaalsContact C-N 3.27Å; E152-F154 HydrophobicContact CB-CD2 4.25Å; E152-F154 HydrophobicContact CB-CE2 4.28Å; E152-F154 HydrophobicContact CG-CD1 4.21Å; E152-F154 HydrophobicContact CG-CD2 3.49Å; E152-F154 VanDerWaalsContact CG-CD2 3.49Å; E152-F154 HydrophobicContact CG-CE1 4.05Å; E152-F154 HydrophobicContact CG-CE2 3.37Å; E152-F154 HydrophobicContact CG-CG 3.97Å; E152-F154 HydrophobicContact CG-CZ 3.66Å; E152-F154 PolarHBondContact O-N 3.33Å; E152-F154 WeakPolarHBondContact OE1-CE2 3.15Å; E152-F154 VanDerWaalsContact OE1-CZ 3.24Å; E152-F154 WeakPolarHBondContact OE1-CZ 3.31Å; E152-F154 WeakPolarHBondContact OE2-CE1 3.12Å; E152-F154 WeakPolarHBondContact OE2-CE2 3.17Å; E152-F154 WeakPolarHBondContact OE2-CZ 3.37Å
153V74.4Confident70.4Confident133 Ų13396.6 Ų96.681%0.80654%0.541SS*.  trans-82.578.1174.6-172.10000108.1E151E151-V153 PolarHBondContact O-N 2.99Å; E151-V153 VanDerWaalsContact O-N 3.08Å
154F60.1Low67.9Low92 Ų92101.5 Ų101.540%0.40457%0.567SS.*  trans-75.2125.9166.6-74.7-59.5000109.8Q89 E152 N156Q89-F154 HydrophobicContact CG-CZ 4.22Å; Q89-F154 VanDerWaalsContact NE2-CE1 3.3Å; E152-F154 VanDerWaalsContact C-N 3.27Å; E152-F154 HydrophobicContact CB-CD2 4.25Å; E152-F154 HydrophobicContact CB-CE2 4.28Å; E152-F154 HydrophobicContact CG-CD1 4.21Å; E152-F154 HydrophobicContact CG-CD2 3.49Å; E152-F154 VanDerWaalsContact CG-CD2 3.49Å; E152-F154 HydrophobicContact CG-CE1 4.05Å; E152-F154 HydrophobicContact CG-CE2 3.37Å; E152-F154 HydrophobicContact CG-CG 3.97Å; E152-F154 HydrophobicContact CG-CZ 3.66Å; E152-F154 PolarHBondContact O-N 3.33Å; E152-F154 WeakPolarHBondContact OE1-CE2 3.15Å; E152-F154 VanDerWaalsContact OE1-CZ 3.24Å; E152-F154 WeakPolarHBondContact OE1-CZ 3.31Å; E152-F154 WeakPolarHBondContact OE2-CE1 3.12Å; E152-F154 WeakPolarHBondContact OE2-CE2 3.17Å; E152-F154 WeakPolarHBondContact OE2-CZ 3.37Å; F154-N156 PolarHBondContact O-N 3.03Å
155G50.7Low65.8Low49 Ų49106.9 Ų106.951%0.50558%0.584SS.*  trans-61.9131.5155.200000107.7D157G155-D157 PolarHBondContact O-N 2.89Å
156N45.7Very low63.4Low129 Ų129113.6 Ų113.669%0.6961%0.614SS**THydrogen-bonded Turntrans-59.218.7-179.2-81.81.2000114.9F154 F158 N160F154-N156 PolarHBondContact O-N 3.03Å; N156-F158 VanDerWaalsContact C-N 3.34Å; N156-F158 PolarHBondContact O-N 3.48Å; N156-N160 WeakPolarHBondContact O-CB 3.49Å
157D49.3Very low61.5Low133 Ų133115.4 Ų115.471%0.71163%0.633SS**THydrogen-bonded Turntrans-80.8-13.9-166-60.5-20.5000113.1G155G155-D157 PolarHBondContact O-N 2.89Å
158F49.3Very low59.7Low119 Ų119115.8 Ų115.852%0.52264%0.639SS.*THydrogen-bonded Turntrans-105.2-14.4-174.1-71.5-80.2000115.7N156N156-F158 VanDerWaalsContact C-N 3.34Å; N156-F158 PolarHBondContact O-N 3.48Å
159L48.9Very low57.4Low163 Ų163114.4 Ų114.485%0.85365%0.653SS**THydrogen-bonded Turntrans-112.2-0.2172.5-66.7178.2000112.7
160N45.1Very low55.5Low122 Ų122115.4 Ų115.465%0.65266%0.662SS**  trans-112.718.8178.6-139.727.4000112.1N156 G162N156-N160 WeakPolarHBondContact O-CB 3.49Å; N160-G162 PolarHBondContact O-N 3.3Å; N160-G162 VanDerWaalsContact O-N 3.11Å
161G43.6Very low53.4Low54 Ų54112.1 Ų112.156%0.55766%0.663SS**THydrogen-bonded Turntrans-67.8101.9172.500000110.7
162G40.6Very low51.8Low62 Ų62112.1 Ų112.164%0.63967%0.667SS**THydrogen-bonded Turntrans148.22.7164.200000118.7N160 D164N160-G162 PolarHBondContact O-N 3.3Å; N160-G162 VanDerWaalsContact O-N 3.11Å; G162-D164 PolarHBondContact O-N 2.8Å
163L42.4Very low50.5Low135 Ų135119.8 Ų119.871%0.70770%0.702SS**  trans-92.586.3159-69.1-179.5000108.4E165L163-E165 HydrophobicContact CB-CG 4.43Å; L163-E165 PolarHBondContact O-N 2.84Å
164D46Very low49.5Very low145 Ų145117.4 Ų117.478%0.77570%0.696SS**  trans-63.764.8155.361.8-19.5000109.8G162 E166G162-D164 PolarHBondContact O-N 2.8Å; D164-E166 PolarHBondContact O-N 2.84Å
165E49.1Very low49.1Very low144 Ų144120.9 Ų120.967%0.67372%0.718SS**  trans-77.867.7161.6-69.9-164.7-166.800108.9L163 A167L163-E165 HydrophobicContact CB-CG 4.43Å; L163-E165 PolarHBondContact O-N 2.84Å; E165-A167 HydrophobicContact CB-CB 4.38Å; E165-A167 PolarHBondContact O-N 3.11Å
166E47.4Very low49.3Very low193 Ų193127.3 Ų127.390%0.90274%0.735SS**  trans-64.667.4140.2-74.8-81.8173.400107.2D164D164-E166 PolarHBondContact O-N 2.84Å
167A55.8Low49.6Very low64 Ų64130.1 Ų130.153%0.52974%0.744SS.*  trans-133.890.1171.400000106.9E165E165-A167 HydrophobicContact CB-CB 4.38Å; E165-A167 PolarHBondContact O-N 3.11Å
168D54.9Low49.8Very low152 Ų152129.3 Ų129.381%0.81375%0.749SS**  trans29.3111.3152-71.5-30.3000116.9V170D168-V170 PolarHBondContact O-N 3.32Å
169G46.7Very low49.9Very low88 Ų88127 Ų12791%0.90776%0.759SS**  trans-44.4111.9172.400000113.1
170V52.9Low50.1Low127 Ų127127.7 Ų127.777%0.7776%0.758SS**  trans-126.892.6158.1-170.90000106.4D168 I172D168-V170 PolarHBondContact O-N 3.32Å; V170-I172 PolarHBondContact O-N 3.46Å
171G47.5Very low50.7Low60 Ų60130.5 Ų130.562%0.61977%0.772SS**  trans-52.6126.9175.400000110.6E173G171-E173 PolarHBondContact O-N 2.94Å
172I55.2Low51.5Low158 Ų158136.3 Ų136.381%0.8179%0.785SS**THydrogen-bonded Turntrans-71.264.7172.1-54.4-177.4000108.3V170V170-I172 PolarHBondContact O-N 3.46Å
173E55Low52.1Low194 Ų194140.6 Ų140.691%0.90779%0.793SS**THydrogen-bonded Turntrans-132.57.8173-63.9-165.3175.600112.1G171G171-E173 PolarHBondContact O-N 2.94Å
174A53.7Low53.1Low82 Ų82142 Ų14268%0.67880%0.801SS**  trans-112.7-0-176.900000116Q176A174-Q176 PolarHBondContact O-N 3.16Å; A174-Q176 VanDerWaalsContact O-N 3.07Å
175L51.1Low53.6Low165 Ų165143.5 Ų143.586%0.86480%0.803SS**THydrogen-bonded Turntrans-80.824.1-178.5-73.7173.3000114.9
176Q54.5Low54.2Low184 Ų184143.9 Ų143.986%0.8681%0.81SS**THydrogen-bonded Turntrans-119.210.1-179.4-87176.7-900115.2A174A174-Q176 PolarHBondContact O-N 3.16Å; A174-Q176 VanDerWaalsContact O-N 3.07Å
177Q52.8Low54.9Low188 Ų188142.3 Ų142.388%0.87981%0.808SS**  trans-154.862.5-174.6-114.4161.64900115.1
178S53.8Low55.4Low117 Ų117149.4 Ų149.482%0.81882%0.822SS**  trans-163.6110.4152.355.80000106.6
179G50.6Low55.9Low71 Ų71146.2 Ų146.273%0.73282%0.817SS**  cis89.591.14100000107.6
180E54.2Low56.7Low176 Ų176147 Ų14782%0.82281%0.806SS**  trans68.189.9158.5-59.1173.6176.300116.5
181L57Low57.1Low182 Ų182144.8 Ų144.895%0.95381%0.809SS**  trans-115.1108.2145.4-70.7177.5000106.8
182E60.4Low57.3Low176 Ų176150 Ų15082%0.82282%0.818SS**  trans-70.7147.8175.9-64.7-178.9150.700110.3
183D53.8Low57.2Low151 Ų151149.3 Ų149.381%0.80782%0.816SS**  trans-45.9130.7174.3-71.7-49.6000112.9
184D62.9Low57.3Low164 Ų164149.4 Ų149.488%0.87782%0.816SS**  trans-131.9102145.9-86.3-37.9000107.8
185E56Low57.1Low178 Ų178154.7 Ų154.783%0.83283%0.827SS**  trans-88.3105.9177.8-178-179.1-138.800107.1
186D62.7Low57.4Low151 Ų151151.4 Ų151.481%0.80782%0.823SS**  trans-152110.6168.4-88.2-37.6000112.1
187D62.1Low57.7Low160 Ų160150.5 Ų150.586%0.85682%0.819SS**  trans42.693144.8-89.9-21.6000119.5
188Y64.9Low57.6Low213 Ų213149.8 Ų149.884%0.83582%0.82SS**  trans-114.199.8151.3-165.2-97.1000110.3
189A67.1Low57.8Low86 Ų86149.9 Ų149.971%0.71181%0.812SS**PPolyproline II helixtrans-88.2117.1170.300000109.8G191A189-G191 PolarHBondContact O-N 3.11Å
190P62.4Low58.1Low103 Ų103153.2 Ų153.267%0.66981%0.812SS**PPolyproline II helixtrans-75124.1173.31.114.9000109.3E192P190-E192 PolarHBondContact O-N 2.67Å
191G62Low58.7Low81 Ų81154.8 Ų154.884%0.83581%0.813SS**PPolyproline II helixtrans-65.6123.4173.200000111.3A189A189-G191 PolarHBondContact O-N 3.11Å
192E50.6Low58.6Low170 Ų170152.7 Ų152.779%0.79480%0.802SS**PPolyproline II helixtrans-73.1160.2165-62.6179.6151.800110.2P190P190-E192 PolarHBondContact O-N 2.67Å
193D54.1Low58.3Low144 Ų144151.6 Ų151.677%0.7780%0.802SS**  trans85.6104.9162.8-44.1-29.6000117.2
194E56Low58.8Low195 Ų195150.8 Ų150.891%0.91180%0.802SS**  -171.1126.895.5-93.4-175.5-166.900110.5
195E50.5Low58.4Low194 Ų194149.8 Ų149.891%0.90780%0.797SS**  trans-71.9141.3176.1-54.9-159.9159.800111.3
196A58.1Low58.7Low95 Ų95149.1 Ų149.179%0.78580%0.799SS**  trans-151.991.2162.400000110.4
197E59.7Low58.3Low165 Ų165149.5 Ų149.577%0.77180%0.796SS**  45.8105128.9-60.3-70.5172.800117.5D199E197-D199 PolarHBondContact O-N 3.17Å
198L51.1Low58.1Low174 Ų174148.3 Ų148.391%0.91179%0.789SS**  trans-84.896.9168.7-17595.9000108.4
199D58.6Low57.8Low119 Ų119146.8 Ų146.864%0.63679%0.79SS**  trans-88.7116.2175.9-82.1-19.7000112E197E197-D199 PolarHBondContact O-N 3.17Å
200D55.1Low57.1Low140 Ų140149.7 Ų149.775%0.74979%0.793SS**  trans-60.4129.4164.9-158.813.8000109.9
201Y67.8Low57Low210 Ų210152.7 Ų152.782%0.82480%0.804SS**  trans-116.3106.3170.4-81-73.5000109.6
202D54.8Low56.6Low138 Ų138154.9 Ų154.974%0.73880%0.801SS**  trans-55.9153.9173.6-77.9-56.5000114.7
203D54Low57.3Low152 Ų152155.9 Ų155.981%0.81381%0.805SS**  trans-30.8137.7159-99.2-39000115
204V65.4Low57.3Low134 Ų134157.3 Ų157.381%0.81281%0.808SS**  trans-130.2100.9152.1-80.80000108.6
205D52.9Low57.5Low144 Ų144155 Ų15577%0.7780%0.802SS**  trans-51.9137148.8-86.7-45.5000108.8
206D62Low57.6Low163 Ų163152.1 Ų152.187%0.87279%0.793SS**  trans-151.6132.2145.6-99.6-36.4000110.6
207E54.5Low57.2Low159 Ų159150.9 Ų150.974%0.74379%0.789SS**  trans-79.4177.6-167.4-54.4179.3138.400113.1
208D58.2Low56.9Low135 Ų135148 Ų14872%0.72279%0.793SS**  trans82.2136.5155.9-52.1-32.5000116.3
209E59.3Low57Low181 Ų181145.8 Ų145.885%0.84678%0.782SS**  cis-166.5152.537.4-138.7164.6-141.100110.5
210D52.7Low56.7Low147 Ų147147 Ų14779%0.78679%0.788SS**  trans-63.1153.1-178.4-59.8-63.7000114.6
211D60.8Low56.5Low166 Ų166145.1 Ų145.189%0.88879%0.786SS**  trans-161.8116.4132.4-106.2-26.3000112
212V53Low55.6Low127 Ų127139.7 Ų139.777%0.7778%0.784SS**  trans-100.1133.7171.9-88.60000108.6
213E64.9Low55.4Low191 Ų191137.5 Ų137.589%0.89379%0.785SS**  trans-134.6120.6154.8-77.4-65-173.600110.9
214E54Low55.1Low174 Ų174137.8 Ų137.881%0.81379%0.787SS**  trans-75.8139.1171.5-92.5178.5149.300110.5
215D60.9Low54.5Low147 Ų147138.1 Ų138.179%0.78679%0.789SS**  trans-142.7102.1142.7-162.720.6000112.8
216N52Low54.4Low134 Ų134136.9 Ų136.972%0.71779%0.791SS**  trans12.9136.5143.1-53.5-65.9000121
217G49.6Very low53.9Low69 Ų69132.5 Ų132.571%0.71179%0.785SS**  137.892.5122.700000116.6
218A53.3Low53.8Low104 Ų104130.3 Ų130.386%0.8679%0.785SS**  52.3138.2126.300000119.6
219N53.4Low53.4Low128 Ų128136 Ų13668%0.68480%0.796SS**  cis171.8145.63.5-165.98.9000105.2
220L52.5Low53.3Low144 Ų144138.8 Ų138.875%0.75480%0.799SS**  trans63150.6157.8-44.5177.3000118.9
221S50.2Low53.1Low100 Ų100137.2 Ų137.270%0.69980%0.797SS**  cis-175.5151.2-2054.80000106.2
222A49.7Very low52.4Low96 Ų96132.4 Ų132.479%0.79379%0.786SS**  trans67.8129.5142.500000122.4
223A49.5Very low52Low92 Ų92133.2 Ų133.276%0.7679%0.792SS**  trans103.8100.8133.900000118.5
224N48.8Very low51.6Low158 Ų158134.4 Ų134.485%0.84579%0.794SS**  35.3122.8120.6-88.2-5.4000117.8
225V51.9Low51.3Low141 Ų141137.8 Ų137.886%0.85580%0.799SS**  -176.9136.4102.3151.10000110.5
226S52Low50.9Low118 Ų118142.1 Ų142.183%0.82580%0.804SS**  trans-61.7152.3178.2-174.70000115.1
227G50.4Low50.9Low71 Ų71143.9 Ų143.973%0.73281%0.808SS**  trans166.6110162.400000115.6
228P52.4Low51.1Low114 Ų114149.4 Ų149.474%0.7482%0.815SS**  trans-100.8157.8-16537.6-32.9000114
229R49.3Very low51Low255 Ų255151 Ų15196%0.96281%0.809SS**  trans-174.5130.2142.5-103153.3177.1-108.2-2.1114.6
230R59Low51Low238 Ų238153.2 Ų153.290%0.89882%0.819SS**  trans-74.4-161.7171-67.4177.7156.8-138-1.5112
231P47.1Very low51.1Low115 Ų115154.2 Ų154.275%0.74782%0.82SS**  -135.9179.4-65.338-20.8000113.1
232G45.4Very low51.1Low64 Ų64156.9 Ų156.966%0.6683%0.827SS**  76118.412700000122.1
233T46Very low50.9Low145 Ų145156 Ų15689%0.8983%0.827SS**  trans58.9115140.9460000121.9
234K55.3Low51Low216 Ų216161.6 Ų161.694%0.93983%0.834SS**  trans-145.9131.5142-86.4-172-179.5168.20112.3
235R47.9Very low51.1Low245 Ų245161.9 Ų161.993%0.92584%0.835SS**  trans-80.7154.9171.9-66.6171.2158.2179.6-7.2111.9
236R54Low50.7Low237 Ų237158.6 Ų158.689%0.89483%0.83SS**  trans175.4106.5146.8-98.3164.5176.9-111.2-1.6106.9
237H51.7Low50.3Low172 Ų172156.8 Ų156.880%0.79683%0.83SS**  49.4104.580.2-123.482000113.5
238E54.2Low50.2Low185 Ų185161.5 Ų161.586%0.86484%0.839SS**  trans-167.5140.4146.5-105.1164.7-156.300110.4
239D50.9Low50Low137 Ų137160.8 Ų160.873%0.73384%0.842SS**  trans-71.7141.1-167.6-51-79.5000114.6
240I53.4Low50.3Low174 Ų174157.8 Ų157.889%0.89284%0.839SS**  trans-142.9129.6151.2-61.8-174.4000110.2
241Q53.8Low50.1Low166 Ų166155.4 Ų155.478%0.77684%0.838SS**  trans-80160.4-176.9-67.8167-28.200114
242D50.1Low50.6Low156 Ų156155.5 Ų155.583%0.83484%0.84SS**  trans61.4109.5145.2-68.8-42.2000120.2
243G45.4Very low50.7Low77 Ų77155.2 Ų155.279%0.79484%0.837SS**  trans-15792.316300000111.2
244K52.6Low51.2Low210 Ų210154.2 Ų154.291%0.91383%0.831SS**  trans-64.2126.2170.5-70.5170175.4171.50110.6
245N50Low51.3Low163 Ų163153.6 Ų153.687%0.87283%0.828SS**  trans-163119.7153.1-133.99.9000105.8
246G44.2Very low51.7Low73 Ų73150.6 Ų150.675%0.75382%0.824SS**  cis90.281.142.100000108.5
247G43.9Very low52.1Low80 Ų80148.6 Ų148.683%0.82582%0.822SS**  trans-170.3107-179.900000113
248N48Very low52.2Low169 Ų169149.1 Ų149.190%0.90483%0.825SS**  trans-57.1145174.5-81.3-21.5000113.4
249A48.7Very low52.5Low99 Ų99145.9 Ų145.982%0.81882%0.818SS**  trans-156.386146.900000109.9
250E55.8Low52.8Low193 Ų193148.5 Ų148.590%0.90283%0.826SS**  trans30.1113.6140.7-54.8-171.5139.100119.7
251H53.1Low53.2Low187 Ų187147.2 Ų147.287%0.86682%0.82SS**  trans-91.7117.6171.8-160.869.8000108.5G253H251-G253 PolarHBondContact O-N 3.09Å; H251-G253 VanDerWaalsContact O-N 3.13Å
252C58.8Low53.2Low118 Ų118147.6 Ų147.680%0.79782%0.822SS**  trans-73.5100170.9-166.10000108.6
253G48.1Very low53.8Low58 Ų58146.5 Ų146.560%0.59882%0.821SS**  trans-105.9105.4178.200000111.2H251 K255H251-G253 PolarHBondContact O-N 3.09Å; H251-G253 VanDerWaalsContact O-N 3.13Å; G253-K255 PolarHBondContact O-N 3.38Å
254T55.5Low54.5Low123 Ų123150.7 Ų150.776%0.75582%0.819SS**  trans-74.4116.2172.2-26.40000109.4
255K56.9Low55Low204 Ų204146.7 Ų146.789%0.88781%0.813SS**  trans-83.8108170.9-75179.1176.5173.80109.2G253G253-K255 PolarHBondContact O-N 3.38Å
256H56.3Low55.7Low181 Ų181147 Ų14784%0.83881%0.808SS**  trans-75.9124.7164.4-85.5-73.6000110.5
257K62.7Low56.7Low195 Ų195149 Ų14985%0.84881%0.806SS**  trans-91.4112.3174.3-154.8178.2-174.9-175.40106.7T259K257-T259 PolarHBondContact O-N 3.48Å
258H54Low57.8Low184 Ų184154 Ų15485%0.85281%0.808SS**PPolyproline II helixtrans-72.3120.5170.6-104.2-60.6000109.2
259T60.7Low58.6Low117 Ų117153.3 Ų153.372%0.71880%0.804SS**PPolyproline II helixtrans-101.6117.6159.342.60000107.3K257K257-T259 PolarHBondContact O-N 3.48Å
260E57.7Low59.1Low192 Ų192151.5 Ų151.590%0.89780%0.796SS**PPolyproline II helixtrans-82.2118.3170.2-70.4177.5141.700108.1
261D61.1Low59.6Low146 Ų146148 Ų14878%0.78179%0.792SS**PPolyproline II helixtrans-101.9146.2169.4-92.6-40.2000111.1
262H53.9Low60.1Low174 Ų174145.5 Ų145.581%0.80679%0.79SS**  trans-45.2140.8-173.1-80.5-77.7000117.4
263V61.8Low60.3Low134 Ų134143.8 Ų143.881%0.81279%0.785SS**  trans-127.1104.7149.5-176.80000108.2
264E60.5Low61.1Low164 Ų164148.6 Ų148.677%0.76680%0.797SS**  trans-66.8134.3166.6-83.1-178141.800110.1
265T63.2Low61.6Low127 Ų127154.2 Ų154.278%0.77982%0.822SS**  trans-106103.5171.740.60000108.7
266H64.3Low61.9Low168 Ų168151.8 Ų151.878%0.77882%0.819SS**  trans-91.7117.3161.7-96.2-67.5000108.5
267V65.7Low62.2Low115 Ų115150.2 Ų150.270%0.69782%0.818SS**  trans-120.5101.9166.2-178.40000107.1
268E66.8Low62.1Low185 Ų185147.7 Ų147.786%0.86482%0.817SS**  trans-77.8122.1164.6-72.4-176138.200108.9
269N65.2Low62.6Low155 Ų155145.6 Ų145.683%0.82981%0.814SS**  trans-107.3105.4163-79.2-38.2000108
270G58.9Low62.7Low62 Ų62147.4 Ų147.464%0.63982%0.82SS**  trans-89.8174.6161.900000111.7
271S66.6Low63.1Low119 Ų119144.4 Ų144.483%0.83282%0.815SS**  trans87.7125.6-171.7830000112
272T62.9Low63.2Low134 Ų134144.3 Ų144.382%0.82282%0.818SS**  cis-155.8148.234.636.50000111
273A63.3Low63.9Low83 Ų83142 Ų14269%0.68682%0.819SS**  trans-70.7150.8165.500000111.7
274D65.8Low64.1Low158 Ų158142.7 Ų142.785%0.84582%0.819SS**  168.2133.8127.5-88.7-41.7000110.3
275D66.1Low64.4Low242 Ų242140.7 Ų140.7100%1.29482%0.824SS**  trans65.20175.8-80.4-44.4000121.1

Retrieved 275 of 275 residues in 76.9 ms (Link to these results)

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