A0A096LNR9_HUMAN Loading...

Cyclin-dependent kinase-like 5

Mediates phosphorylation of MECP2. May regulate ciliogenesis.

AlphaFold DB , UniProt , Accession A0A096LNR9, Species HUMAN (Homo sapiens, Human), Gene CDKL5, Length 784 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
1M35.1Very low53.8Low211 Ų21191.5 Ų91.5100%1.03949%0.491SS*.  0144.50-98.4-178.8175.200109.4R65M1-R65 PolarHBondContact SD-NH1 2.75Å
2K42Very low56.6Low207 Ų20790 Ų9090%0.948%0.476SS*.PPolyproline II helixtrans-87.2116.7167.9-69.1-177.9178.21790108.8
3I57.1Low59.4Low30 Ų3083.8 Ų83.815%0.15444%0.443CS..PPolyproline II helixtrans-74.9124.8166.7-58176.6000106.5N5 L58 L61 R80 L85I3-N5 PolarHBondContact O-N 2.65Å; I3-L58 HydrophobicContact CD1-CD2 4.49Å; I3-L61 HydrophobicContact CD1-CD2 4.01Å; I3-R80 HydrophobicContact CB-CG 4.43Å; I3-R80 HydrophobicContact CG2-CB 4.36Å; I3-R80 HydrophobicContact CG2-CG 3.92Å; I3-L85 HydrophobicContact CD1-CD1 3.82Å; I3-L85 HydrophobicContact CD1-CD2 4.36Å; I3-L85 HydrophobicContact CG2-CD1 4.43Å
4P55.3Low61.9Low69 Ų6982.7 Ų82.745%0.44843%0.434SS..PPolyproline II helixtrans-71.1128.3-171.330-36000111I6P4-I6 VanDerWaalsContact C-N 3.31Å; P4-I6 HydrophobicContact CB-CD1 3.81Å; P4-I6 HydrophobicContact CB-CG1 3.98Å; P4-I6 HydrophobicContact CG-CD1 3.87Å; P4-I6 PolarHBondContact O-N 3.21Å; P4-I6 VanDerWaalsContact O-N 3.1Å
5N52.6Low64.1Low120 Ų12083.7 Ų83.764%0.64244%0.438SS*.  trans-86.769.5-178.5-172.323000110.2I3 G7I3-N5 PolarHBondContact O-N 2.65Å; N5-G7 PolarHBondContact O-N 3.39Å
6I54.6Low66.1Low90 Ų9083 Ų8346%0.46244%0.435SS..  trans-88.3108.6-173.6-62.5159.6000108.7P4 N8 V9P4-I6 VanDerWaalsContact C-N 3.31Å; P4-I6 HydrophobicContact CB-CD1 3.81Å; P4-I6 HydrophobicContact CB-CG1 3.98Å; P4-I6 HydrophobicContact CG-CD1 3.87Å; P4-I6 PolarHBondContact O-N 3.21Å; P4-I6 VanDerWaalsContact O-N 3.1Å; I6-N8 PolarHBondContact O-N 3.1Å; I6-V9 HydrophobicContact CB-CG2 3.57Å; I6-V9 HydrophobicContact CD1-CG2 4.46Å; I6-V9 HydrophobicContact CG2-CG2 3.54Å
7G49.1Very low67.7Low53 Ų5379.8 Ų79.855%0.54643%0.427SS..THydrogen-bonded Turntrans-58.1-23.4-168.400000116.3N5 R81N5-G7 PolarHBondContact O-N 3.39Å; G7-R81 PolarHBondContact O-NE 3.24Å
8N56.3Low69.1Low100 Ų10080.7 Ų80.754%0.53544%0.435SS..THydrogen-bonded Turntrans-11712.7-169.4-97-10.2000116.4I6 M10 N11I6-N8 PolarHBondContact O-N 3.1Å; N8-M10 VanDerWaalsContact C-N 3.27Å; N8-M10 PolarHBondContact O-N 2.98Å; N8-M10 VanDerWaalsContact O-N 3.14Å; N8-N11 VanDerWaalsContact O-CB 3.31Å; N8-N11 WeakPolarHBondContact O-CB 3.41Å; N8-N11 PolarHBondContact O-N 3.01Å
9V60.3Low70.2Confident10 Ų1080.3 Ų80.36%0.06144%0.436CS..G310 helixtrans-55.9-37.7-175.8-174.40000113.4I6 N11 K12 F13 F79I6-V9 HydrophobicContact CB-CG2 3.57Å; I6-V9 HydrophobicContact CD1-CG2 4.46Å; I6-V9 HydrophobicContact CG2-CG2 3.54Å; V9-N11 PolarHBondContact O-N 2.72Å; V9-K12 HydrophobicContact CG1-CD 4.42Å; V9-K12 VanDerWaalsContact O-CB 3.22Å; V9-K12 WeakPolarHBondContact O-CB 3.45Å; V9-K12 PolarHBondContact O-N 3.48Å; V9-F13 HydrophobicContact CG1-CD2 4.29Å; V9-F13 HydrophobicContact CG1-CE2 4Å; V9-F79 HydrophobicContact CB-CD1 4.35Å; V9-F79 HydrophobicContact CB-CD2 3.79Å; V9-F79 HydrophobicContact CB-CE1 4.47Å; V9-F79 HydrophobicContact CB-CE2 3.95Å; V9-F79 HydrophobicContact CB-CG 4.01Å; V9-F79 HydrophobicContact CB-CZ 4.29Å; V9-F79 HydrophobicContact CG1-CB 4.44Å; V9-F79 HydrophobicContact CG1-CD1 3.6Å; V9-F79 HydrophobicContact CG1-CD2 3.96Å; V9-F79 HydrophobicContact CG1-CE1 3.66Å; V9-F79 HydrophobicContact CG1-CE2 4.04Å; V9-F79 HydrophobicContact CG1-CG 3.75Å; V9-F79 HydrophobicContact CG1-CZ 3.9Å; V9-F79 HydrophobicContact CG2-CB 4.19Å; V9-F79 HydrophobicContact CG2-CD2 4.13Å; V9-F79 HydrophobicContact CG2-CG 4.14Å
10M59.5Low70.9Confident25 Ų2577.2 Ų77.212%0.12342%0.423CS..G310 helixtrans-66.8-5176.3-66.8-66-98.200114.4N8 K12 F13 I15 F79 Y86N8-M10 VanDerWaalsContact C-N 3.27Å; N8-M10 PolarHBondContact O-N 2.98Å; N8-M10 VanDerWaalsContact O-N 3.14Å; M10-K12 VanDerWaalsContact C-N 3.29Å; M10-F13 PolarHBondContact O-N 3.14Å; M10-F13 HydrophobicContact SD-CB 4.44Å; M10-I15 HydrophobicContact CE-CD1 4.42Å; M10-F79 HydrophobicContact CG-CE2 4.19Å; M10-F79 HydrophobicContact CG-CZ 4.26Å; M10-F79 HydrophobicContact SD-CE2 4.18Å; M10-F79 HydrophobicContact SD-CZ 3.68Å; M10-Y86 HydrophobicContact CE-CD1 4.41Å; M10-Y86 HydrophobicContact CE-CE1 4Å; M10-Y86 HydrophobicContact SD-CE1 4.45Å
11N69.9Low71.5Confident91 Ų9178.6 Ų78.649%0.48743%0.427SS..G310 helixtrans-72.5-25.6166.4-70.74.1000111.5N8 V9 F13 K33N8-N11 VanDerWaalsContact O-CB 3.31Å; N8-N11 WeakPolarHBondContact O-CB 3.41Å; N8-N11 PolarHBondContact O-N 3.01Å; V9-N11 PolarHBondContact O-N 2.72Å; N11-F13 VanDerWaalsContact C-N 3.34Å; N11-K33 VanDerWaalsContact O-CD 3.31Å; N11-K33 WeakPolarHBondContact O-CD 3.5Å; N11-K33 VanDerWaalsContact O-CE 3.27Å; N11-K33 WeakPolarHBondContact O-CE 3.26Å; N11-K33 PolarHBondContact O-NZ 3.33Å
12K87Confident73.3Confident74 Ų7468.9 Ų68.932%0.32238%0.381SS..SBendtrans-70.7-25.6171.9-68.9178.3150.9-68.80113.5V9 M10 H32 K33 E34V9-K12 HydrophobicContact CG1-CD 4.42Å; V9-K12 VanDerWaalsContact O-CB 3.22Å; V9-K12 WeakPolarHBondContact O-CB 3.45Å; V9-K12 PolarHBondContact O-N 3.48Å; M10-K12 VanDerWaalsContact C-N 3.29Å; K12-H32 PolarHBondContact NZ-NE2 2.68Å; K12-H32 CarbonylContact O-C 3.43Å; K12-H32 WeakPolarHBondContact O-CA 3.35Å; K12-K33 WeakPolarHBondContact O-CG 2.94Å; K12-K33 PolarHBondContact O-N 2.99Å; K12-E34 VanDerWaalsContact NZ-CD 3.29Å; K12-E34 IonicContact NZ-OE1 2.92Å; K12-E34 PolarHBondContact NZ-OE1 3.43Å; K12-E34 IonicContact NZ-OE2 2.61Å; K12-E34 PolarHBondContact NZ-OE2 3.47Å
13F93.3Very high74.6Confident9 Ų962.8 Ų62.84%0.03937%0.369CS..EExtended strand (participates in β ladder)trans-112.6120.6-172.5-66.2-72.3000111.7V9 M10 N11 C30 R31 H32 V39 I41 E77 F79 V88V9-F13 HydrophobicContact CG1-CD2 4.29Å; V9-F13 HydrophobicContact CG1-CE2 4Å; M10-F13 PolarHBondContact O-N 3.14Å; M10-F13 HydrophobicContact SD-CB 4.44Å; N11-F13 VanDerWaalsContact C-N 3.34Å; F13-C30 HydrophobicContact CB-CB 4.38Å; F13-C30 HydrophobicContact CD1-CB 4.41Å; F13-R31 WeakPolarHBondContact CA-O 3.33Å; F13-H32 HydrophobicContact CD1-CB 4.09Å; F13-H32 HydrophobicContact CE1-CB 3.81Å; F13-H32 AromaticContact CE1-CD2 3.62Å; F13-H32 AromaticContact CZ-CD2 3.79Å; F13-V39 HydrophobicContact CD1-CG2 3.85Å; F13-V39 HydrophobicContact CE1-CG2 3.67Å; F13-I41 HydrophobicContact CB-CD1 4.01Å; F13-I41 HydrophobicContact CD1-CD1 3.87Å; F13-I41 HydrophobicContact CD2-CD1 3.99Å; F13-I41 HydrophobicContact CE1-CD1 4.32Å; F13-I41 HydrophobicContact CE2-CD1 4.43Å; F13-I41 HydrophobicContact CG-CD1 3.68Å; F13-E77 WeakPolarHBondContact CZ-OE1 3.5Å; F13-F79 HydrophobicContact CD2-CE1 4.35Å; F13-F79 HydrophobicContact CE2-CE1 4.01Å; F13-V88 HydrophobicContact CE1-CG1 4.31Å; F13-V88 HydrophobicContact CE2-CG2 4.34Å; F13-V88 HydrophobicContact CZ-CG1 4.16Å; F13-V88 HydrophobicContact CZ-CG2 4.21Å
14E94.3Very high75.1Confident69 Ų6965 Ų6532%0.32238%0.376SS..EExtended strand (participates in β ladder)trans-84.8136.9167.1-174.9-172.9174.700109.1L16 C30 R31 K33E14-L16 HydrophobicContact CG-CD2 4.32Å; E14-C30 CarbonylContact O-C 3.6Å; E14-C30 WeakPolarHBondContact O-CA 3.39Å; E14-C30 VanDerWaalsContact O-CB 3.26Å; E14-C30 WeakPolarHBondContact O-CB 3.47Å; E14-R31 HydrophobicContact CB-CB 4.37Å; E14-R31 PolarHBondContact N-O 3.43Å; E14-R31 PolarHBondContact O-N 3.28Å; E14-R31 IonicContact OE1-CZ 2.61Å; E14-R31 IonicContact OE1-NH2 2.68Å; E14-R31 PolarHBondContact OE1-NH2 3.04Å; E14-R31 IonicContact OE2-CZ 2.79Å; E14-R31 IonicContact OE2-NE 2.77Å; E14-R31 PolarHBondContact OE2-NE 2.93Å; E14-R31 IonicContact OE2-NH2 3.64Å; E14-R31 PolarHBondContact OE2-NH2 3.49Å; E14-K33 HydrophobicContact CB-CG 4.21Å
15I95.2Very high76.4Confident97 Ų9762 Ų6250%0.49736%0.358SS..EExtended strand (participates in β ladder)trans-92.6119.8177.3-58.8169.1000108.3M10 L28M10-I15 HydrophobicContact CE-CD1 4.42Å; I15-L28 HydrophobicContact CD1-CD1 4.11Å; I15-L28 HydrophobicContact CG1-CD1 4.43Å
16L95.8Very high78.1Confident73 Ų7357.2 Ų57.238%0.38233%0.333SS..EExtended strand (participates in β ladder)trans-94.4-23.5177.2-56.4-176.4000112.5E14 K29 R31 I38E14-L16 HydrophobicContact CG-CD2 4.32Å; L16-K29 HydrophobicContact CB-CG 4.39Å; L16-K29 PolarHBondContact N-O 2.65Å; L16-R31 HydrophobicContact CD1-CB 4.06Å; L16-R31 HydrophobicContact CD2-CB 4.32Å; L16-R31 HydrophobicContact CG-CB 4.23Å; L16-I38 HydrophobicContact CD1-CD1 3.88Å
17G93.9Very high79.9Confident29 Ų2955 Ų5530%0.29932%0.324SS..EExtended strand (participates in β ladder)trans170.3-176.8177.400000113.7L28 K29G17-L28 WeakPolarHBondContact O-CA 3.38Å; G17-K29 PolarHBondContact N-O 2.85Å; G17-K29 PolarHBondContact O-N 3.31Å
18V93.2Very high82.1Confident95 Ų9553.3 Ų53.358%0.57630%0.302SS*.EExtended strand (participates in β ladder)trans-96134.41691780000108.2V26 L28V18-V26 HydrophobicContact CG1-CG2 3.71Å; V18-V26 HydrophobicContact CG2-CG2 4.31Å; V18-L28 HydrophobicContact CG2-CD2 3.93Å
19V90.2Very high84Confident73 Ų7351.7 Ų51.744%0.44229%0.291SS..EExtended strand (participates in β ladder)trans-88.1-42.5170.3-177.30000109.8V27 K29 Y91V19-V27 HydrophobicContact CB-CB 4.21Å; V19-V27 HydrophobicContact CB-CG1 3.99Å; V19-V27 HydrophobicContact CG2-CG1 4.24Å; V19-V27 PolarHBondContact N-O 2.92Å; V19-K29 HydrophobicContact CG2-CB 3.78Å; V19-Y91 HydrophobicContact CG2-CE2 4.17Å
20G83.9Confident85.7Confident18 Ų1851.2 Ų51.219%0.18629%0.288CS..EExtended strand (participates in β ladder)trans-171.4154.3173.300000112.4V27G20-V27 PolarHBondContact N-O 2.89Å; G20-V27 PolarHBondContact O-N 3.32Å
21E83.4Confident87.5Confident107 Ų10754 Ų5450%0.530%0.297SS..EExtended strand (participates in β ladder)trans-123.2123.6171.6-173.5-177.4156.200110.4V26 K45 Y614E21-V26 HydrophobicContact CB-CB 4.35Å; E21-V26 HydrophobicContact CB-CG2 4.12Å; E21-V26 HydrophobicContact CG-CB 4.14Å; E21-V26 HydrophobicContact CG-CG2 4.4Å; E21-K45 WeakPolarHBondContact OE1-CE 3.39Å; E21-K45 IonicContact OE1-NZ 2.82Å; E21-K45 PolarHBondContact OE1-NZ 2.89Å; E21-Y614 WeakPolarHBondContact O-CA 3.31Å; E21-Y614 WeakPolarHBondContact O-CD1 3.42Å
22G73.6Confident88.7Confident8 Ų850.4 Ų50.48%0.08228%0.277CS..  trans-130.6-163.4-179.600000112.3Y24 G25 K45G22-Y24 PolarHBondContact O-N 2.63Å; G22-G25 PolarHBondContact N-O 2.93Å; G22-K45 PolarHBondContact O-NZ 2.61Å
23A67.6Low89.1Confident78 Ų7851.7 Ų51.765%0.64528%0.283SS*.SBendtrans-59.7-47.8-177.800000113
24Y68.6Low89Confident76 Ų7657.5 Ų57.530%0.29831%0.31SS..SBendtrans-77-21.9-173.4-56.5-63.4000114.7G22 F44 K45 F156 Y171G22-Y24 PolarHBondContact O-N 2.63Å; Y24-F44 WeakPolarHBondContact O-CA 3.47Å; Y24-K45 PolarHBondContact O-N 3.46Å; Y24-K45 VanDerWaalsContact O-N 3.11Å; Y24-F156 AromaticContact CE2-CE2 3.76Å; Y24-F156 HydrophobicContact CE2-CE2 3.76Å; Y24-F156 HydrophobicContact CE2-CZ 4.03Å; Y24-F156 WeakPolarHBondContact OH-CE2 3.37Å; Y24-F156 WeakPolarHBondContact OH-CZ 3.38Å; Y24-Y171 VanDerWaalsContact OH-CE1 3.3Å; Y24-Y171 WeakPolarHBondContact OH-CE1 3.15Å
25G81.6Confident89.1Confident8 Ų858.3 Ų58.38%0.08232%0.319CS..EExtended strand (participates in β ladder)trans171-168.5-16800000114.8G22 K43G22-G25 PolarHBondContact N-O 2.93Å; G25-K43 CarbonylContact C-O 3.14Å; G25-K43 WeakPolarHBondContact CA-O 3.27Å
26V89.6Confident89.1Confident18 Ų1859.7 Ų59.711%0.10932%0.324CS..EExtended strand (participates in β ladder)trans-122.7133.9169.662.50000109.2V18 E21 L28 K43V18-V26 HydrophobicContact CG1-CG2 3.71Å; V18-V26 HydrophobicContact CG2-CG2 4.31Å; E21-V26 HydrophobicContact CB-CB 4.35Å; E21-V26 HydrophobicContact CB-CG2 4.12Å; E21-V26 HydrophobicContact CG-CB 4.14Å; E21-V26 HydrophobicContact CG-CG2 4.4Å; V26-L28 HydrophobicContact CG1-CD2 4.37Å; V26-L28 HydrophobicContact CG2-CD2 3.94Å; V26-K43 HydrophobicContact CG1-CB 4.04Å; V26-K43 HydrophobicContact CG1-CD 3.88Å; V26-K43 HydrophobicContact CG1-CG 4.32Å; V26-K43 PolarHBondContact N-O 3.47Å; V26-K43 PolarHBondContact O-N 3.14Å
27V92.6Very high89.1Confident45 Ų4560.1 Ų60.127%0.27332%0.324SS..EExtended strand (participates in β ladder)trans-96.9121.2173.2-1760000108.1V19 G20 A40 I41 K42V19-V27 HydrophobicContact CB-CB 4.21Å; V19-V27 HydrophobicContact CB-CG1 3.99Å; V19-V27 HydrophobicContact CG2-CG1 4.24Å; V19-V27 PolarHBondContact N-O 2.92Å; G20-V27 PolarHBondContact N-O 2.89Å; G20-V27 PolarHBondContact O-N 3.32Å; V27-A40 HydrophobicContact CG1-CB 4.14Å; V27-I41 WeakPolarHBondContact CA-O 3.34Å; V27-K42 HydrophobicContact CG2-CB 4.48Å; V27-K42 HydrophobicContact CG2-CG 4.37Å
28L94.6Very high89.3Confident17 Ų1761.6 Ų61.69%0.08932%0.324CS..EExtended strand (participates in β ladder)trans-103.7136.5-179.8-57.8176.7000110.3I15 G17 V18 V26 A40 I41I15-L28 HydrophobicContact CD1-CD1 4.11Å; I15-L28 HydrophobicContact CG1-CD1 4.43Å; G17-L28 WeakPolarHBondContact O-CA 3.38Å; V18-L28 HydrophobicContact CG2-CD2 3.93Å; V26-L28 HydrophobicContact CG1-CD2 4.37Å; V26-L28 HydrophobicContact CG2-CD2 3.94Å; L28-A40 CarbonylContact O-C 3.47Å; L28-A40 WeakPolarHBondContact O-CA 3.42Å; L28-I41 PolarHBondContact N-O 2.92Å; L28-I41 PolarHBondContact O-N 2.99Å
29K96.2Very high89.5Confident66 Ų6657.2 Ų57.229%0.28730%0.297SS..EExtended strand (participates in β ladder)trans-82.6119.5166.1-171.8171.1-176.8167.40107.2L16 G17 V19 I38 Y91L16-K29 HydrophobicContact CB-CG 4.39Å; L16-K29 PolarHBondContact N-O 2.65Å; G17-K29 PolarHBondContact N-O 2.85Å; G17-K29 PolarHBondContact O-N 3.31Å; V19-K29 HydrophobicContact CG2-CB 3.78Å; K29-I38 HydrophobicContact CG-CG2 4.09Å; K29-Y91 HydrophobicContact CD-CD2 4.36Å; K29-Y91 HydrophobicContact CD-CE1 4.23Å; K29-Y91 HydrophobicContact CD-CE2 3.8Å; K29-Y91 HydrophobicContact CG-CD2 4.15Å; K29-Y91 HydrophobicContact CG-CE2 4.05Å; K29-Y91 VanDerWaalsContact NZ-CE1 3.26Å; K29-Y91 PolarHBondContact NZ-OH 3.03Å
30C96.6Very high89.8Confident0 Ų054.3 Ų54.30%028%0.281CS..EExtended strand (participates in β ladder)trans-127.8159.4-176.2-72.50000111.8F13 E14 I38 V39 I41F13-C30 HydrophobicContact CB-CB 4.38Å; F13-C30 HydrophobicContact CD1-CB 4.41Å; E14-C30 CarbonylContact O-C 3.6Å; E14-C30 WeakPolarHBondContact O-CA 3.39Å; E14-C30 VanDerWaalsContact O-CB 3.26Å; E14-C30 WeakPolarHBondContact O-CB 3.47Å; C30-I38 CarbonylContact O-C 3.57Å; C30-I38 WeakPolarHBondContact O-CA 3.34Å; C30-V39 HydrophobicContact CB-CG2 3.87Å; C30-V39 PolarHBondContact N-O 3.02Å; C30-V39 PolarHBondContact O-N 2.75Å; C30-I41 HydrophobicContact CB-CD1 3.74Å; C30-I41 HydrophobicContact CB-CG1 4Å
31R96.8Very high90.3Very high82 Ų8253.5 Ų53.531%0.30927%0.273SS..EExtended strand (participates in β ladder)trans-117.4125.1170.8173.716460.8-162.3-1109F13 E14 L16 K33 E37 I38F13-R31 WeakPolarHBondContact CA-O 3.33Å; E14-R31 HydrophobicContact CB-CB 4.37Å; E14-R31 PolarHBondContact N-O 3.43Å; E14-R31 PolarHBondContact O-N 3.28Å; E14-R31 IonicContact OE1-CZ 2.61Å; E14-R31 IonicContact OE1-NH2 2.68Å; E14-R31 PolarHBondContact OE1-NH2 3.04Å; E14-R31 IonicContact OE2-CZ 2.79Å; E14-R31 IonicContact OE2-NE 2.77Å; E14-R31 PolarHBondContact OE2-NE 2.93Å; E14-R31 IonicContact OE2-NH2 3.64Å; E14-R31 PolarHBondContact OE2-NH2 3.49Å; L16-R31 HydrophobicContact CD1-CB 4.06Å; L16-R31 HydrophobicContact CD2-CB 4.32Å; L16-R31 HydrophobicContact CG-CB 4.23Å; R31-K33 PolarHBondContact O-N 3.27Å; R31-E37 CarbonylContact C-O 3.58Å; R31-E37 WeakPolarHBondContact CA-O 3.4Å; R31-I38 HydrophobicContact CB-CD1 3.94Å; R31-I38 HydrophobicContact CG-CD1 4.14Å
32H95.1Very high90.7Very high17 Ų1749.3 Ų49.38%0.07925%0.253CS..EExtended strand (participates in β ladder)trans-72.4123.3169.9-173.9-103.7000108.5K12 F13 E34 T35 H36 E37K12-H32 PolarHBondContact NZ-NE2 2.68Å; K12-H32 CarbonylContact O-C 3.43Å; K12-H32 WeakPolarHBondContact O-CA 3.35Å; F13-H32 HydrophobicContact CD1-CB 4.09Å; F13-H32 HydrophobicContact CE1-CB 3.81Å; F13-H32 AromaticContact CE1-CD2 3.62Å; F13-H32 AromaticContact CZ-CD2 3.79Å; H32-E34 IonicContact CE1-OE2 3.78Å; H32-E34 PolarHBondContact CE1-OE2 3.44Å; H32-E34 VanDerWaalsContact CE1-OE2 3.25Å; H32-E34 IonicContact NE2-OE2 3.59Å; H32-E34 PolarHBondContact O-N 3.33Å; H32-T35 WeakPolarHBondContact CB-OG1 3.38Å; H32-T35 PolarHBondContact ND1-OG1 2.87Å; H32-H36 WeakPolarHBondContact O-CA 3.49Å; H32-H36 PolarHBondContact O-N 2.9Å; H32-E37 PolarHBondContact N-O 3.41Å
33K94.3Very high91.4Very high100 Ų10052.2 Ų52.244%0.43526%0.263SS..THydrogen-bonded Turntrans-71.4-27.8-166.2-68.1-178.3-168.4164.80114.3N11 K12 E14 R31 H36N11-K33 VanDerWaalsContact O-CD 3.31Å; N11-K33 WeakPolarHBondContact O-CD 3.5Å; N11-K33 VanDerWaalsContact O-CE 3.27Å; N11-K33 WeakPolarHBondContact O-CE 3.26Å; N11-K33 PolarHBondContact O-NZ 3.33Å; K12-K33 WeakPolarHBondContact O-CG 2.94Å; K12-K33 PolarHBondContact O-N 2.99Å; E14-K33 HydrophobicContact CB-CG 4.21Å; R31-K33 PolarHBondContact O-N 3.27Å; K33-H36 PolarHBondContact O-CE1 3.48Å
34E93Very high92.2Very high132 Ų13249.3 Ų49.362%0.61724%0.236SC*.THydrogen-bonded Turntrans-84.4-32.8-177.5-58.8154.9-160.700112.1K12 H32K12-E34 VanDerWaalsContact NZ-CD 3.29Å; K12-E34 IonicContact NZ-OE1 2.92Å; K12-E34 PolarHBondContact NZ-OE1 3.43Å; K12-E34 IonicContact NZ-OE2 2.61Å; K12-E34 PolarHBondContact NZ-OE2 3.47Å; H32-E34 IonicContact CE1-OE2 3.78Å; H32-E34 PolarHBondContact CE1-OE2 3.44Å; H32-E34 VanDerWaalsContact CE1-OE2 3.25Å; H32-E34 IonicContact NE2-OE2 3.59Å; H32-E34 PolarHBondContact O-N 3.33Å
35T95.4Very high92.5Very high85 Ų8549.6 Ų49.652%0.52124%0.239SC..THydrogen-bonded Turntrans-108.8-8.4-175.257.90000113.3H32 E37H32-T35 WeakPolarHBondContact CB-OG1 3.38Å; H32-T35 PolarHBondContact ND1-OG1 2.87Å; T35-E37 PolarHBondContact O-N 3.46Å
36H95.6Very high91.6Very high127 Ų12755.1 Ų55.159%0.58827%0.266SS*.  trans54.39.7-169.1-58.1-65.6000115.9H32 K33H32-H36 WeakPolarHBondContact O-CA 3.49Å; H32-H36 PolarHBondContact O-N 2.9Å; K33-H36 PolarHBondContact O-CE1 3.48Å
37E96.4Very high90Very high82 Ų8256.2 Ų56.238%0.38328%0.275SS..  trans-61.6135.3178.2-172.7-180-167.200111.3R31 H32 T35 V39 K76R31-E37 CarbonylContact C-O 3.58Å; R31-E37 WeakPolarHBondContact CA-O 3.4Å; H32-E37 PolarHBondContact N-O 3.41Å; T35-E37 PolarHBondContact O-N 3.46Å; E37-V39 HydrophobicContact CG-CG1 4.13Å; E37-K76 WeakPolarHBondContact OE1-CE 3.45Å; E37-K76 IonicContact OE1-NZ 2.68Å; E37-K76 PolarHBondContact OE1-NZ 2.79Å
38I97.3Very high88.3Confident60 Ų6056.3 Ų56.331%0.30827%0.272SS..EExtended strand (participates in β ladder)trans-89.8126.6175.7-50.1-56.6000109.2L16 K29 C30 R31 Y91L16-I38 HydrophobicContact CD1-CD1 3.88Å; K29-I38 HydrophobicContact CG-CG2 4.09Å; C30-I38 CarbonylContact O-C 3.57Å; C30-I38 WeakPolarHBondContact O-CA 3.34Å; R31-I38 HydrophobicContact CB-CD1 3.94Å; R31-I38 HydrophobicContact CG-CD1 4.14Å; I38-Y91 HydrophobicContact CB-CD1 4.45Å; I38-Y91 HydrophobicContact CG2-CD1 3.65Å; I38-Y91 HydrophobicContact CG2-CE1 4.41Å; I38-Y91 HydrophobicContact CG2-CG 3.78Å; I38-Y91 WeakPolarHBondContact O-CB 3.47Å
39V96.9Very high86.5Confident2 Ų265.1 Ų65.11%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-132.3155.2-174.1-61.70000111.6F13 C30 E37 I41 K76 V88 F89F13-V39 HydrophobicContact CD1-CG2 3.85Å; F13-V39 HydrophobicContact CE1-CG2 3.67Å; C30-V39 HydrophobicContact CB-CG2 3.87Å; C30-V39 PolarHBondContact N-O 3.02Å; C30-V39 PolarHBondContact O-N 2.75Å; E37-V39 HydrophobicContact CG-CG1 4.13Å; V39-I41 HydrophobicContact CG2-CD1 4.25Å; V39-I41 HydrophobicContact CG2-CG1 4.04Å; V39-K76 HydrophobicContact CG1-CD 4.21Å; V39-V88 HydrophobicContact CB-CG1 3.78Å; V39-V88 HydrophobicContact CG1-CG1 4.09Å; V39-V88 HydrophobicContact CG2-CG1 3.87Å; V39-F89 WeakPolarHBondContact CA-O 3.37Å; V39-F89 WeakPolarHBondContact CB-O 3.49Å
40A96.8Very high85.2Confident13 Ų1365 Ų6511%0.10732%0.315CS..EExtended strand (participates in β ladder)trans-102.9120.1172.500000109.8V27 L28 F89 Y91V27-A40 HydrophobicContact CG1-CB 4.14Å; L28-A40 CarbonylContact O-C 3.47Å; L28-A40 WeakPolarHBondContact O-CA 3.42Å; A40-F89 HydrophobicContact CB-CB 4.37Å; A40-F89 PolarHBondContact N-O 3.18Å; A40-F89 PolarHBondContact O-N 3.21Å; A40-Y91 HydrophobicContact CB-CD2 4.42Å
41I94.4Very high84Confident0 Ų072.6 Ų72.60%035%0.351CS..EExtended strand (participates in β ladder)trans-107.7105.8-178.7-51.6-169.5000110.1F13 V27 L28 C30 V39 K43 Y86 L87 V88F13-I41 HydrophobicContact CB-CD1 4.01Å; F13-I41 HydrophobicContact CD1-CD1 3.87Å; F13-I41 HydrophobicContact CD2-CD1 3.99Å; F13-I41 HydrophobicContact CE1-CD1 4.32Å; F13-I41 HydrophobicContact CE2-CD1 4.43Å; F13-I41 HydrophobicContact CG-CD1 3.68Å; V27-I41 WeakPolarHBondContact CA-O 3.34Å; L28-I41 PolarHBondContact N-O 2.92Å; L28-I41 PolarHBondContact O-N 2.99Å; C30-I41 HydrophobicContact CB-CD1 3.74Å; C30-I41 HydrophobicContact CB-CG1 4Å; V39-I41 HydrophobicContact CG2-CD1 4.25Å; V39-I41 HydrophobicContact CG2-CG1 4.04Å; I41-K43 PolarHBondContact O-N 2.85Å; I41-Y86 HydrophobicContact CG2-CD1 3.91Å; I41-L87 CarbonylContact C-O 3.57Å; I41-L87 WeakPolarHBondContact CA-O 3.34Å; I41-V88 HydrophobicContact CD1-CG2 4.14Å; I41-V88 HydrophobicContact CG1-CG1 4.32Å; I41-V88 HydrophobicContact CG1-CG2 4.09Å; I41-V88 HydrophobicContact CG2-CG2 4.35Å
42K91.4Very high82.7Confident20 Ų2075 Ų759%0.08737%0.366CS..EExtended strand (participates in β ladder)trans-77.3102.8172.1-168.8-176.8-171.1-173.80108.2V27 F44 E60 L87 F89 D153V27-K42 HydrophobicContact CG2-CB 4.48Å; V27-K42 HydrophobicContact CG2-CG 4.37Å; K42-F44 HydrophobicContact CD-CE2 3.9Å; K42-F44 HydrophobicContact CD-CZ 3.67Å; K42-F44 HydrophobicContact CG-CE2 3.93Å; K42-F44 HydrophobicContact CG-CZ 4.13Å; K42-E60 IonicContact NZ-OE1 2.7Å; K42-E60 PolarHBondContact NZ-OE1 2.79Å; K42-E60 IonicContact NZ-OE2 3.43Å; K42-E60 PolarHBondContact NZ-OE2 3.4Å; K42-L87 HydrophobicContact CB-CB 4.36Å; K42-L87 PolarHBondContact N-O 3.07Å; K42-L87 PolarHBondContact O-N 2.85Å; K42-F89 HydrophobicContact CB-CD2 4.42Å; K42-F89 HydrophobicContact CB-CE2 3.9Å; K42-F89 HydrophobicContact CD-CE2 4.27Å; K42-D153 IonicContact NZ-OD1 2.84Å; K42-D153 PolarHBondContact NZ-OD1 3.48Å
43K89.1Confident81.5Confident69 Ų6976 Ų7630%0.337%0.373SS..EExtended strand (participates in β ladder)trans-95.8116.2173.9171.6-168.2167.6-1590108.5G25 V26 I41 Y86G25-K43 CarbonylContact C-O 3.14Å; G25-K43 WeakPolarHBondContact CA-O 3.27Å; V26-K43 HydrophobicContact CG1-CB 4.04Å; V26-K43 HydrophobicContact CG1-CD 3.88Å; V26-K43 HydrophobicContact CG1-CG 4.32Å; V26-K43 PolarHBondContact N-O 3.47Å; V26-K43 PolarHBondContact O-N 3.14Å; I41-K43 PolarHBondContact O-N 2.85Å; K43-Y86 HydrophobicContact CB-CD1 3.88Å; K43-Y86 HydrophobicContact CB-CE1 3.82Å; K43-Y86 HydrophobicContact CD-CE1 3.88Å; K43-Y86 HydrophobicContact CG-CD1 4.08Å; K43-Y86 HydrophobicContact CG-CE1 3.56Å
44F83Confident80.6Confident17 Ų1775.3 Ų75.38%0.07537%0.37CS..EExtended strand (participates in β ladder)trans-71.6148.6178.1-70.1-99.6000111.3Y24 K42 T57 L85 L87Y24-F44 WeakPolarHBondContact O-CA 3.47Å; K42-F44 HydrophobicContact CD-CE2 3.9Å; K42-F44 HydrophobicContact CD-CZ 3.67Å; K42-F44 HydrophobicContact CG-CE2 3.93Å; K42-F44 HydrophobicContact CG-CZ 4.13Å; F44-T57 HydrophobicContact CD1-CG2 4.25Å; F44-T57 HydrophobicContact CD2-CG2 4.25Å; F44-T57 HydrophobicContact CE1-CG2 3.72Å; F44-T57 HydrophobicContact CE2-CG2 3.74Å; F44-T57 HydrophobicContact CZ-CG2 3.44Å; F44-T57 VanDerWaalsContact CZ-CG2 3.44Å; F44-L85 PolarHBondContact N-O 3.02Å; F44-L87 HydrophobicContact CE2-CD1 3.79Å; F44-L87 HydrophobicContact CE2-CG 3.94Å; F44-L87 HydrophobicContact CZ-CD1 4.06Å
45K76.7Confident79.8Confident82 Ų8274.1 Ų74.136%0.35736%0.364SS..PPolyproline II helixtrans-73.9157.6171.6-82.8163.1178178.60109.9E21 G22 Y24 S47E21-K45 WeakPolarHBondContact OE1-CE 3.39Å; E21-K45 IonicContact OE1-NZ 2.82Å; E21-K45 PolarHBondContact OE1-NZ 2.89Å; G22-K45 PolarHBondContact O-NZ 2.61Å; Y24-K45 PolarHBondContact O-N 3.46Å; Y24-K45 VanDerWaalsContact O-N 3.11Å; K45-S47 PolarHBondContact O-N 3.24Å; K45-S47 PolarHBondContact O-OG 3.03Å
46D61.6Low78.8Confident123 Ų12371.6 Ų71.666%0.65835%0.349SS*.SBendtrans-71.292.4-175-69.9-7.2000110.8K84D46-K84 VanDerWaalsContact OD1-CD 3.22Å; D46-K84 WeakPolarHBondContact OD1-CD 3.27Å; D46-K84 WeakPolarHBondContact OD1-CE 3.46Å; D46-K84 IonicContact OD1-NZ 3.05Å; D46-K84 PolarHBondContact OD1-NZ 3.15Å; D46-K84 IonicContact OD2-NZ 2.66Å; D46-K84 PolarHBondContact OD2-NZ 3.1Å
47S57.2Low77.9Confident41 Ų4166 Ų6629%0.28732%0.324SS..  trans-142.215.4178.650.90000112.2K45 E49 N50K45-S47 PolarHBondContact O-N 3.24Å; K45-S47 PolarHBondContact O-OG 3.03Å; S47-E49 PolarHBondContact O-N 3.09Å; S47-E49 VanDerWaalsContact O-N 3.15Å; S47-N50 WeakPolarHBondContact O-CB 3.33Å; S47-N50 PolarHBondContact O-N 2.89Å
48E56.1Low77.1Confident48 Ų4866.3 Ų66.322%0.22433%0.328CS..THydrogen-bonded Turntrans-69.4-3176.5-81.9-150.1-138.800114.2N50 K54 R80E48-N50 VanDerWaalsContact C-N 3.32Å; E48-K54 HydrophobicContact CB-CG 4.35Å; E48-K54 HydrophobicContact CG-CG 4.1Å; E48-K54 WeakPolarHBondContact O-CD 3.4Å; E48-K54 WeakPolarHBondContact O-CE 3.49Å; E48-K54 PolarHBondContact O-NZ 3.1Å; E48-K54 WeakPolarHBondContact OE2-CE 3.31Å; E48-R80 IonicContact OE1-CZ 3.16Å; E48-R80 IonicContact OE1-NH1 3.01Å; E48-R80 PolarHBondContact OE1-NH1 3.36Å; E48-R80 IonicContact OE1-NH2 2.65Å; E48-R80 PolarHBondContact OE1-NH2 3.44Å; E48-R80 IonicContact OE2-CZ 3.17Å; E48-R80 IonicContact OE2-NH1 2.72Å; E48-R80 PolarHBondContact OE2-NH1 3.02Å; E48-R80 IonicContact OE2-NH2 2.77Å; E48-R80 PolarHBondContact OE2-NH2 3.11Å
49E57.1Low76.2Confident201 Ų20165.5 Ų65.594%0.93932%0.321SS*.THydrogen-bonded Turntrans-73.5-26162.3-69.3-175.8173.200111.8S47 E51S47-E49 PolarHBondContact O-N 3.09Å; S47-E49 VanDerWaalsContact O-N 3.15Å; E49-E51 PolarHBondContact O-N 2.91Å
50N68.7Low75.5Confident63 Ų6365.6 Ų65.634%0.33732%0.321SS..SBendtrans-80.2117.8168.9-172.2-6.9000110.4S47 E48 E52 V53 K54S47-N50 WeakPolarHBondContact O-CB 3.33Å; S47-N50 PolarHBondContact O-N 2.89Å; E48-N50 VanDerWaalsContact C-N 3.32Å; N50-E52 VanDerWaalsContact C-N 3.32Å; N50-E52 PolarHBondContact ND2-OE2 3.45Å; N50-E52 PolarHBondContact O-N 3.4Å; N50-E52 VanDerWaalsContact OD1-CB 3.31Å; N50-E52 WeakPolarHBondContact OD1-CB 3.46Å; N50-E52 WeakPolarHBondContact OD1-CG 3.09Å; N50-E52 PolarHBondContact OD1-N 3.01Å; N50-E52 PolarHBondContact OD1-OE2 3.28Å; N50-V53 HydrophobicContact CB-CG2 4.06Å; N50-V53 PolarHBondContact O-N 2.96Å; N50-K54 PolarHBondContact O-N 3.46Å
51E71.9Confident74.9Confident160 Ų16065.3 Ų65.375%0.74832%0.318SS*.Hα-helixtrans-64.9-31.7177.4-168.3153.8-133.800112.8E49 V53 K54 E55E49-E51 PolarHBondContact O-N 2.91Å; E51-V53 VanDerWaalsContact C-N 3.33Å; E51-V53 PolarHBondContact O-N 2.95Å; E51-K54 WeakPolarHBondContact O-CB 3.33Å; E51-K54 PolarHBondContact O-N 3.48Å; E51-E55 WeakPolarHBondContact O-CB 3.28Å; E51-E55 PolarHBondContact O-N 3.06Å
52E69.2Low74.4Confident133 Ų13370.7 Ų70.762%0.62134%0.341SS*.Hα-helixtrans-62.4-38.9176.3-56.5173138.600112.1N50 E55 T56N50-E52 VanDerWaalsContact C-N 3.32Å; N50-E52 PolarHBondContact ND2-OE2 3.45Å; N50-E52 PolarHBondContact O-N 3.4Å; N50-E52 VanDerWaalsContact OD1-CB 3.31Å; N50-E52 WeakPolarHBondContact OD1-CB 3.46Å; N50-E52 WeakPolarHBondContact OD1-CG 3.09Å; N50-E52 PolarHBondContact OD1-N 3.01Å; N50-E52 PolarHBondContact OD1-OE2 3.28Å; E52-E55 PolarHBondContact O-N 2.98Å; E52-T56 VanDerWaalsContact O-CB 3.3Å; E52-T56 WeakPolarHBondContact O-CB 3.32Å; E52-T56 PolarHBondContact O-N 3.41Å; E52-T56 PolarHBondContact O-OG1 2.9Å
53V70.4Confident74.1Confident39 Ų3970 Ų7024%0.23634%0.338CS..Hα-helixtrans-72.2-43.2179.2-176.90000109.8N50 E51 E55 T56 T57N50-V53 HydrophobicContact CB-CG2 4.06Å; N50-V53 PolarHBondContact O-N 2.96Å; E51-V53 VanDerWaalsContact C-N 3.33Å; E51-V53 PolarHBondContact O-N 2.95Å; V53-E55 VanDerWaalsContact C-N 3.33Å; V53-E55 PolarHBondContact O-N 3.19Å; V53-T56 PolarHBondContact O-N 2.98Å; V53-T57 PolarHBondContact O-N 2.88Å; V53-T57 PolarHBondContact O-OG1 3.2Å
54K74.3Confident73.9Confident84 Ų8467.1 Ų67.137%0.36533%0.326SS..Hα-helixtrans-54.5-48.7170.7-85.4165.4160.41570111.6E48 N50 E51 T57 L58E48-K54 HydrophobicContact CB-CG 4.35Å; E48-K54 HydrophobicContact CG-CG 4.1Å; E48-K54 WeakPolarHBondContact O-CD 3.4Å; E48-K54 WeakPolarHBondContact O-CE 3.49Å; E48-K54 PolarHBondContact O-NZ 3.1Å; E48-K54 WeakPolarHBondContact OE2-CE 3.31Å; N50-K54 PolarHBondContact O-N 3.46Å; E51-K54 WeakPolarHBondContact O-CB 3.33Å; E51-K54 PolarHBondContact O-N 3.48Å; K54-T57 PolarHBondContact O-N 3.3Å; K54-L58 WeakPolarHBondContact O-CB 3.44Å; K54-L58 VanDerWaalsContact O-CG 3.26Å; K54-L58 WeakPolarHBondContact O-CG 3.41Å; K54-L58 PolarHBondContact O-N 2.79Å
55E76.3Confident74Confident107 Ų10772.6 Ų72.650%0.535%0.346SS..Hα-helixtrans-63.8-46-178.8-150.9-137.6144.500111E51 E52 V53 T57 L58 R59E51-E55 WeakPolarHBondContact O-CB 3.28Å; E51-E55 PolarHBondContact O-N 3.06Å; E52-E55 PolarHBondContact O-N 2.98Å; V53-E55 VanDerWaalsContact C-N 3.33Å; V53-E55 PolarHBondContact O-N 3.19Å; E55-T57 PolarHBondContact O-N 3.44Å; E55-L58 PolarHBondContact O-N 3.29Å; E55-R59 WeakPolarHBondContact O-CB 3.38Å; E55-R59 PolarHBondContact O-N 3.25Å; E55-R59 IonicContact OE1-CZ 3.39Å; E55-R59 IonicContact OE1-NE 2.73Å; E55-R59 IonicContact OE1-NH2 3.31Å; E55-R59 PolarHBondContact OE1-NH2 3.41Å; E55-R59 IonicContact OE2-NH2 2.89Å; E55-R59 PolarHBondContact OE2-NH2 2.9Å
56T75.1Confident74.4Confident32 Ų3272.1 Ų72.120%0.19635%0.35CS..Hα-helixtrans-57.5-46.4176.2-60.50000111.8E52 V53 R59 E60 G155E52-T56 VanDerWaalsContact O-CB 3.3Å; E52-T56 WeakPolarHBondContact O-CB 3.32Å; E52-T56 PolarHBondContact O-N 3.41Å; E52-T56 PolarHBondContact O-OG1 2.9Å; V53-T56 PolarHBondContact O-N 2.98Å; T56-R59 WeakPolarHBondContact O-CB 3.45Å; T56-R59 PolarHBondContact O-N 2.89Å; T56-E60 PolarHBondContact O-N 3.04Å; T56-G155 WeakPolarHBondContact CG2-O 3.32Å
57T76.8Confident75.7Confident10 Ų1066.3 Ų66.36%0.06132%0.319CS..Hα-helixtrans-72.7-31.8179.8-48.20000112.8F44 V53 K54 E55 R59 L61 L85F44-T57 HydrophobicContact CD1-CG2 4.25Å; F44-T57 HydrophobicContact CD2-CG2 4.25Å; F44-T57 HydrophobicContact CE1-CG2 3.72Å; F44-T57 HydrophobicContact CE2-CG2 3.74Å; F44-T57 HydrophobicContact CZ-CG2 3.44Å; F44-T57 VanDerWaalsContact CZ-CG2 3.44Å; V53-T57 PolarHBondContact O-N 2.88Å; V53-T57 PolarHBondContact O-OG1 3.2Å; K54-T57 PolarHBondContact O-N 3.3Å; E55-T57 PolarHBondContact O-N 3.44Å; T57-R59 VanDerWaalsContact C-N 3.33Å; T57-L61 WeakPolarHBondContact O-CB 3.43Å; T57-L61 PolarHBondContact O-N 2.76Å; T57-L85 HydrophobicContact CG2-CD2 3.54Å
58L78.4Confident77.2Confident88 Ų8871.6 Ų71.646%0.46134%0.337SS..Hα-helixtrans-69-32.5171.2-72.6171.9000112I3 K54 E55 L61 K62I3-L58 HydrophobicContact CD1-CD2 4.49Å; K54-L58 WeakPolarHBondContact O-CB 3.44Å; K54-L58 VanDerWaalsContact O-CG 3.26Å; K54-L58 WeakPolarHBondContact O-CG 3.41Å; K54-L58 PolarHBondContact O-N 2.79Å; E55-L58 PolarHBondContact O-N 3.29Å; L58-L61 HydrophobicContact CD2-CD2 4.44Å; L58-K62 WeakPolarHBondContact O-CB 3.22Å; L58-K62 PolarHBondContact O-N 3.49Å
59R79.9Confident79Confident43 Ų4371.6 Ų71.616%0.16234%0.337CS..Hα-helixtrans-69.1-45.4173.3-164.7-178.2-63.3170.2-2111.4E55 T56 T57 L61 K62 M63 R158E55-R59 WeakPolarHBondContact O-CB 3.38Å; E55-R59 PolarHBondContact O-N 3.25Å; E55-R59 IonicContact OE1-CZ 3.39Å; E55-R59 IonicContact OE1-NE 2.73Å; E55-R59 IonicContact OE1-NH2 3.31Å; E55-R59 PolarHBondContact OE1-NH2 3.41Å; E55-R59 IonicContact OE2-NH2 2.89Å; E55-R59 PolarHBondContact OE2-NH2 2.9Å; T56-R59 WeakPolarHBondContact O-CB 3.45Å; T56-R59 PolarHBondContact O-N 2.89Å; T57-R59 VanDerWaalsContact C-N 3.33Å; R59-L61 VanDerWaalsContact C-N 3.34Å; R59-L61 PolarHBondContact O-N 2.97Å; R59-K62 WeakPolarHBondContact O-CB 3.31Å; R59-K62 PolarHBondContact O-N 3.35Å; R59-M63 HydrophobicContact CG-CE 3.74Å; R59-M63 HydrophobicContact CG-SD 4.33Å; R59-M63 WeakPolarHBondContact O-CG 3.31Å; R59-M63 PolarHBondContact O-N 2.92Å; R59-R158 VanDerWaalsContact NH1-CZ 3.33Å
60E80.7Confident80.8Confident4 Ų467.6 Ų67.62%0.01932%0.318CS..Hα-helixtrans-54.6-49.8171.2-167.3-170.3158.500110.5K42 T56 K62 M63 L64 F154K42-E60 IonicContact NZ-OE1 2.7Å; K42-E60 PolarHBondContact NZ-OE1 2.79Å; K42-E60 IonicContact NZ-OE2 3.43Å; K42-E60 PolarHBondContact NZ-OE2 3.4Å; T56-E60 PolarHBondContact O-N 3.04Å; E60-K62 PolarHBondContact O-N 2.98Å; E60-M63 PolarHBondContact O-N 3.49Å; E60-L64 HydrophobicContact CG-CD1 3.87Å; E60-L64 HydrophobicContact CG-CG 4.5Å; E60-L64 WeakPolarHBondContact O-CB 3.42Å; E60-L64 VanDerWaalsContact O-CG 3.32Å; E60-L64 WeakPolarHBondContact O-CG 3.45Å; E60-L64 PolarHBondContact O-N 2.89Å; E60-F154 HydrophobicContact CG-CB 4.07Å
61L83.9Confident82.2Confident8 Ų864.6 Ų64.64%0.04230%0.303CS..Hα-helixtrans-62-36.6177.5-18063.4000113.5I3 T57 L58 R59 R65 L75 A78 L87I3-L61 HydrophobicContact CD1-CD2 4.01Å; T57-L61 WeakPolarHBondContact O-CB 3.43Å; T57-L61 PolarHBondContact O-N 2.76Å; L58-L61 HydrophobicContact CD2-CD2 4.44Å; R59-L61 VanDerWaalsContact C-N 3.34Å; R59-L61 PolarHBondContact O-N 2.97Å; L61-R65 WeakPolarHBondContact O-CD 3.22Å; L61-R65 VanDerWaalsContact O-CG 3.28Å; L61-R65 WeakPolarHBondContact O-CG 3.46Å; L61-R65 PolarHBondContact O-N 3.04Å; L61-L75 HydrophobicContact CD1-CD2 3.51Å; L61-A78 HydrophobicContact CD1-CB 3.87Å; L61-L87 HydrophobicContact CD1-CD2 4.03Å
62K84.9Confident83.3Confident113 Ų11357.1 Ų57.149%0.49127%0.268SS..Hα-helixtrans-64.9-49175.1179.4-174.4174.7-1750110.4L58 R59 E60 R65 T66 E162L58-K62 WeakPolarHBondContact O-CB 3.22Å; L58-K62 PolarHBondContact O-N 3.49Å; R59-K62 WeakPolarHBondContact O-CB 3.31Å; R59-K62 PolarHBondContact O-N 3.35Å; E60-K62 PolarHBondContact O-N 2.98Å; K62-R65 PolarHBondContact O-N 3.36Å; K62-T66 PolarHBondContact O-N 2.82Å; K62-T66 PolarHBondContact O-OG1 2.87Å; K62-E162 IonicContact NZ-OE1 3.6Å; K62-E162 PolarHBondContact NZ-OE1 2.72Å
63M85Confident84.6Confident5 Ų551.2 Ų51.23%0.02524%0.24CC..Hα-helixtrans-67.4-46.7-176.8-68.817517700112.5R59 E60 R65 T66 L67 I131 A157 N159R59-M63 HydrophobicContact CG-CE 3.74Å; R59-M63 HydrophobicContact CG-SD 4.33Å; R59-M63 WeakPolarHBondContact O-CG 3.31Å; R59-M63 PolarHBondContact O-N 2.92Å; E60-M63 PolarHBondContact O-N 3.49Å; M63-R65 PolarHBondContact O-N 3.48Å; M63-T66 PolarHBondContact O-N 2.91Å; M63-L67 WeakPolarHBondContact O-CB 3.3Å; M63-L67 WeakPolarHBondContact O-CG 3.27Å; M63-L67 PolarHBondContact O-N 3.11Å; M63-I131 HydrophobicContact CB-CD1 4.03Å; M63-I131 HydrophobicContact CE-CG1 4.41Å; M63-I131 HydrophobicContact CG-CD1 3.78Å; M63-I131 HydrophobicContact CG-CG1 4.23Å; M63-I131 HydrophobicContact SD-CG1 4.45Å; M63-I131 HydrophobicContact SD-CG2 3.98Å; M63-A157 HydrophobicContact SD-CB 3.68Å; M63-N159 HydrophobicContact CE-CB 4.17Å
64L84.8Confident85.7Confident9 Ų952.1 Ų52.15%0.04724%0.242CC..Hα-helixtrans-58.4-31.9178.3-74.1167.2000113.4E60 V73 L75 F89 F154E60-L64 HydrophobicContact CG-CD1 3.87Å; E60-L64 HydrophobicContact CG-CG 4.5Å; E60-L64 WeakPolarHBondContact O-CB 3.42Å; E60-L64 VanDerWaalsContact O-CG 3.32Å; E60-L64 WeakPolarHBondContact O-CG 3.45Å; E60-L64 PolarHBondContact O-N 2.89Å; L64-V73 HydrophobicContact CD2-CG1 4.37Å; L64-L75 HydrophobicContact CB-CB 4.14Å; L64-L75 HydrophobicContact CB-CD2 4.1Å; L64-L75 HydrophobicContact CD1-CB 4.48Å; L64-L75 HydrophobicContact CD1-CD2 4.42Å; L64-F89 HydrophobicContact CD1-CE1 3.56Å; L64-F89 HydrophobicContact CD1-CZ 3.64Å; L64-F89 HydrophobicContact CD2-CE1 3.99Å; L64-F89 HydrophobicContact CG-CE1 4.4Å; L64-F154 HydrophobicContact CD2-CD2 3.68Å; L64-F154 HydrophobicContact CD2-CE2 4.15Å; L64-F154 HydrophobicContact CD2-CG 4.39Å; L64-F154 HydrophobicContact CG-CD2 4.44Å
65R84.9Confident86.6Confident131 Ų13149.4 Ų49.449%0.49423%0.231SC..Hα-helixtrans-75.7-24.2176.7-73.9173.7171.2-170.9-4.7113.8M1 L61 K62 M63 L75M1-R65 PolarHBondContact SD-NH1 2.75Å; L61-R65 WeakPolarHBondContact O-CD 3.22Å; L61-R65 VanDerWaalsContact O-CG 3.28Å; L61-R65 WeakPolarHBondContact O-CG 3.46Å; L61-R65 PolarHBondContact O-N 3.04Å; K62-R65 PolarHBondContact O-N 3.36Å; M63-R65 PolarHBondContact O-N 3.48Å; R65-L75 HydrophobicContact CG-CD2 4.3Å
66T85.1Confident87.4Confident72 Ų7248 Ų4844%0.44222%0.224SC..Hα-helixtrans-82.7-38.4172.6-57.60000111.2K62 M63 K68 N129K62-T66 PolarHBondContact O-N 2.82Å; K62-T66 PolarHBondContact O-OG1 2.87Å; M63-T66 PolarHBondContact O-N 2.91Å; T66-K68 VanDerWaalsContact C-N 3.32Å; T66-K68 PolarHBondContact O-N 3.21Å; T66-K68 VanDerWaalsContact O-N 3.09Å; T66-N129 HydrophobicContact CG2-CB 4.39Å
67L88.3Confident88.1Confident1 Ų149.7 Ų49.71%0.00523%0.229CC..  trans-88.143.7-167.7-65.7176.4000115M63 Q69 I72 N129 I131 F154M63-L67 WeakPolarHBondContact O-CB 3.3Å; M63-L67 WeakPolarHBondContact O-CG 3.27Å; M63-L67 PolarHBondContact O-N 3.11Å; L67-Q69 PolarHBondContact O-N 2.68Å; L67-Q69 VanDerWaalsContact O-N 3.09Å; L67-I72 HydrophobicContact CB-CG2 4.29Å; L67-I72 WeakPolarHBondContact O-CB 3.36Å; L67-I72 WeakPolarHBondContact O-CG1 3.4Å; L67-I72 WeakPolarHBondContact O-CG2 3.28Å; L67-N129 HydrophobicContact CD2-CB 3.87Å; L67-I131 HydrophobicContact CD1-CB 4.43Å; L67-I131 HydrophobicContact CD1-CD1 3.78Å; L67-I131 HydrophobicContact CD1-CG2 4.15Å; L67-I131 HydrophobicContact CD2-CD1 4.07Å; L67-I131 HydrophobicContact CG-CD1 3.9Å; L67-F154 HydrophobicContact CD1-CD1 3.86Å; L67-F154 HydrophobicContact CD1-CE1 3.24Å; L67-F154 HydrophobicContact CD1-CZ 3.82Å
68K90.2Very high88.7Confident153 Ų15349.9 Ų49.967%0.66523%0.232SC*.  trans-76.198.5175.6-175.4157.7178.8158.10112T66 E74T66-K68 VanDerWaalsContact C-N 3.32Å; T66-K68 PolarHBondContact O-N 3.21Å; T66-K68 VanDerWaalsContact O-N 3.09Å; K68-E74 WeakPolarHBondContact CE-OE1 3.29Å; K68-E74 IonicContact NZ-OE1 2.59Å; K68-E74 PolarHBondContact NZ-OE1 2.59Å
69Q93.3Very high89.1Confident48 Ų4845.9 Ų45.922%0.22421%0.211CC..SBendtrans-147.5156174.7-176.4-91.7-35.300110.1L67 N71 I72 W125L67-Q69 PolarHBondContact O-N 2.68Å; L67-Q69 VanDerWaalsContact O-N 3.09Å; Q69-N71 VanDerWaalsContact C-N 3.31Å; Q69-N71 VanDerWaalsContact CD-N 3.33Å; Q69-N71 PolarHBondContact NE2-OD1 2.67Å; Q69-N71 PolarHBondContact O-N 3.33Å; Q69-N71 VanDerWaalsContact OE1-N 3.15Å; Q69-I72 HydrophobicContact CB-CG1 4.12Å; Q69-I72 PolarHBondContact O-N 2.7Å; Q69-W125 HydrophobicContact CB-CB 4.47Å; Q69-W125 VanDerWaalsContact CB-CD1 3.43Å; Q69-W125 HydrophobicContact CB-CD2 3.98Å; Q69-W125 HydrophobicContact CB-CG 3.72Å; Q69-W125 HydrophobicContact CG-CB 4.3Å; Q69-W125 HydrophobicContact CG-CD2 4.21Å; Q69-W125 HydrophobicContact CG-CG 3.95Å
70E94.7Very high89.3Confident116 Ų11646.5 Ų46.554%0.54221%0.213SC..THydrogen-bonded Turntrans-49.5-44.2-175.7178.8178.5-150.800114.3I72 V148 K150E70-I72 VanDerWaalsContact C-N 3.29Å; E70-I72 PolarHBondContact O-N 2.78Å; E70-V148 HydrophobicContact CG-CG1 4.2Å; E70-K150 WeakPolarHBondContact O-CE 3.47Å; E70-K150 WeakPolarHBondContact O-CG 3.42Å; E70-K150 PolarHBondContact O-NZ 3.3Å
71N97.4Very high89.3Confident1 Ų149 Ų491%0.00522%0.222CC..THydrogen-bonded Turntrans-9016.5-178-52.9110.9000113.7Q69 Q118 A122 L149 K150 L151Q69-N71 VanDerWaalsContact C-N 3.31Å; Q69-N71 VanDerWaalsContact CD-N 3.33Å; Q69-N71 PolarHBondContact NE2-OD1 2.67Å; Q69-N71 PolarHBondContact O-N 3.33Å; Q69-N71 VanDerWaalsContact OE1-N 3.15Å; N71-Q118 PolarHBondContact ND2-OE1 3.01Å; N71-A122 HydrophobicContact CB-CB 3.75Å; N71-A122 WeakPolarHBondContact O-CB 3.48Å; N71-L149 VanDerWaalsContact CA-O 3.3Å; N71-L149 WeakPolarHBondContact CA-O 3.4Å; N71-L149 WeakPolarHBondContact CB-O 3.43Å; N71-L149 PolarHBondContact ND2-O 3.37Å; N71-K150 CarbonylContact O-C 3.6Å; N71-K150 WeakPolarHBondContact O-CA 3.49Å; N71-L151 PolarHBondContact O-N 2.83Å
72I96.9Very high89.2Confident3 Ų358.9 Ų58.92%0.01526%0.259CS..BIsolated β-bridgetrans-114.3148.2169.2-47.9-62.8000108L67 Q69 E70 E74 A122 K150 L151 F154L67-I72 HydrophobicContact CB-CG2 4.29Å; L67-I72 WeakPolarHBondContact O-CB 3.36Å; L67-I72 WeakPolarHBondContact O-CG1 3.4Å; L67-I72 WeakPolarHBondContact O-CG2 3.28Å; Q69-I72 HydrophobicContact CB-CG1 4.12Å; Q69-I72 PolarHBondContact O-N 2.7Å; E70-I72 VanDerWaalsContact C-N 3.29Å; E70-I72 PolarHBondContact O-N 2.78Å; I72-E74 PolarHBondContact O-N 2.99Å; I72-A122 HydrophobicContact CD1-CB 3.97Å; I72-K150 PolarHBondContact O-NZ 3.33Å; I72-L151 HydrophobicContact CD1-CB 4.27Å; I72-L151 HydrophobicContact CD1-CD2 4.42Å; I72-F154 HydrophobicContact CD1-CZ 4.3Å; I72-F154 HydrophobicContact CG2-CE2 3.88Å; I72-F154 HydrophobicContact CG2-CZ 3.97Å
73V95.6Very high88.9Confident8 Ų855.6 Ų55.65%0.04826%0.257CS..  trans-69.3124.7173.470.90000111.3L64 L75 F89 E90 L142 L151 C152L64-V73 HydrophobicContact CD2-CG1 4.37Å; V73-L75 PolarHBondContact O-N 2.89Å; V73-F89 HydrophobicContact CG1-CD1 3.85Å; V73-F89 HydrophobicContact CG1-CE1 4Å; V73-F89 HydrophobicContact CG2-CB 4.05Å; V73-F89 HydrophobicContact CG2-CD1 3.97Å; V73-F89 HydrophobicContact CG2-CG 4.37Å; V73-E90 WeakPolarHBondContact CA-OE1 3.36Å; V73-E90 HydrophobicContact CG2-CG 3.79Å; V73-L142 HydrophobicContact CB-CD1 4.48Å; V73-L142 HydrophobicContact CG2-CD1 4.16Å; V73-L151 PolarHBondContact N-O 3.44Å; V73-C152 HydrophobicContact CB-CB 4.11Å; V73-C152 HydrophobicContact CG1-CB 3.61Å
74E94.2Very high88.7Confident59 Ų5958.3 Ų58.328%0.27627%0.269SS..  trans-71.4117.2176.7-179.8177.2-11600110.8K68 I72 K76 F89 E90K68-E74 WeakPolarHBondContact CE-OE1 3.29Å; K68-E74 IonicContact NZ-OE1 2.59Å; K68-E74 PolarHBondContact NZ-OE1 2.59Å; I72-E74 PolarHBondContact O-N 2.99Å; E74-K76 HydrophobicContact CG-CG 4.12Å; E74-K76 PolarHBondContact O-N 2.95Å; E74-K76 IonicContact OE2-NZ 3.08Å; E74-K76 PolarHBondContact OE2-NZ 2.61Å; E74-F89 CarbonylContact O-C 3.54Å; E74-F89 WeakPolarHBondContact O-CA 3.2Å; E74-E90 HydrophobicContact CB-CB 4.49Å; E74-E90 HydrophobicContact CB-CG 4.29Å; E74-E90 PolarHBondContact N-OE1 3.09Å; E74-E90 PolarHBondContact O-N 2.84Å
75L93.3Very high88.6Confident26 Ų2658.2 Ų58.214%0.13627%0.268CS..EExtended strand (participates in β ladder)trans-77.1112.9160.1179.976.4000109.3L61 L64 R65 V73 L87 F89L61-L75 HydrophobicContact CD1-CD2 3.51Å; L64-L75 HydrophobicContact CB-CB 4.14Å; L64-L75 HydrophobicContact CB-CD2 4.1Å; L64-L75 HydrophobicContact CD1-CB 4.48Å; L64-L75 HydrophobicContact CD1-CD2 4.42Å; R65-L75 HydrophobicContact CG-CD2 4.3Å; V73-L75 PolarHBondContact O-N 2.89Å; L75-L87 HydrophobicContact CD1-CB 3.82Å; L75-L87 HydrophobicContact CD1-CD2 4.22Å; L75-L87 HydrophobicContact CD1-CG 4.45Å; L75-F89 HydrophobicContact CB-CD1 4.16Å; L75-F89 HydrophobicContact CB-CE1 4.07Å; L75-F89 HydrophobicContact CD1-CD1 4.14Å; L75-F89 HydrophobicContact CD1-CE1 3.86Å; L75-F89 HydrophobicContact CD1-CE2 4.26Å; L75-F89 HydrophobicContact CD1-CG 4.49Å; L75-F89 HydrophobicContact CD1-CZ 3.92Å
76K92.1Very high88.8Confident78 Ų7852.9 Ų52.934%0.33925%0.249SC..EExtended strand (participates in β ladder)trans-84.6-50.8-179.1-65.3178-176.3-75.50112.1E37 V39 E74 V88 E90E37-K76 WeakPolarHBondContact OE1-CE 3.45Å; E37-K76 IonicContact OE1-NZ 2.68Å; E37-K76 PolarHBondContact OE1-NZ 2.79Å; V39-K76 HydrophobicContact CG1-CD 4.21Å; E74-K76 HydrophobicContact CG-CG 4.12Å; E74-K76 PolarHBondContact O-N 2.95Å; E74-K76 IonicContact OE2-NZ 3.08Å; E74-K76 PolarHBondContact OE2-NZ 2.61Å; K76-V88 PolarHBondContact N-O 3.32Å; K76-E90 VanDerWaalsContact CE-CA 3.46Å
77E89.9Confident89.1Confident68 Ų6849.5 Ų49.532%0.31823%0.228SC..EExtended strand (participates in β ladder)trans-147.4167.5176.168.8165.2108.800113.1F13 F79 V88F13-E77 WeakPolarHBondContact CZ-OE1 3.5Å; E77-F79 HydrophobicContact CG-CD1 4.47Å; E77-F79 WeakPolarHBondContact OE2-CD1 3.4Å; E77-V88 HydrophobicContact CG-CB 3.59Å; E77-V88 HydrophobicContact CG-CG1 4.22Å; E77-V88 HydrophobicContact CG-CG2 3.56Å; E77-V88 PolarHBondContact N-O 2.75Å; E77-V88 PolarHBondContact O-N 3.45Å
78A89.3Confident89.4Confident14 Ų1449.5 Ų49.512%0.11623%0.228CC..EExtended strand (participates in β ladder)trans-145.7121.7176.900000109.8L61 Y86 L87L61-A78 HydrophobicContact CD1-CB 3.87Å; A78-Y86 WeakPolarHBondContact CA-O 3.01Å; A78-L87 HydrophobicContact CB-CD2 3.53Å
79F87.4Confident89.6Confident3 Ų343.1 Ų43.11%0.01320%0.2CC..EExtended strand (participates in β ladder)trans-135.8161.3-174.266.3-97.2000112.5V9 M10 F13 E77 R81 L85 Y86 V88V9-F79 HydrophobicContact CB-CD1 4.35Å; V9-F79 HydrophobicContact CB-CD2 3.79Å; V9-F79 HydrophobicContact CB-CE1 4.47Å; V9-F79 HydrophobicContact CB-CE2 3.95Å; V9-F79 HydrophobicContact CB-CG 4.01Å; V9-F79 HydrophobicContact CB-CZ 4.29Å; V9-F79 HydrophobicContact CG1-CB 4.44Å; V9-F79 HydrophobicContact CG1-CD1 3.6Å; V9-F79 HydrophobicContact CG1-CD2 3.96Å; V9-F79 HydrophobicContact CG1-CE1 3.66Å; V9-F79 HydrophobicContact CG1-CE2 4.04Å; V9-F79 HydrophobicContact CG1-CG 3.75Å; V9-F79 HydrophobicContact CG1-CZ 3.9Å; V9-F79 HydrophobicContact CG2-CB 4.19Å; V9-F79 HydrophobicContact CG2-CD2 4.13Å; V9-F79 HydrophobicContact CG2-CG 4.14Å; M10-F79 HydrophobicContact CG-CE2 4.19Å; M10-F79 HydrophobicContact CG-CZ 4.26Å; M10-F79 HydrophobicContact SD-CE2 4.18Å; M10-F79 HydrophobicContact SD-CZ 3.68Å; F13-F79 HydrophobicContact CD2-CE1 4.35Å; F13-F79 HydrophobicContact CE2-CE1 4.01Å; E77-F79 HydrophobicContact CG-CD1 4.47Å; E77-F79 WeakPolarHBondContact OE2-CD1 3.4Å; F79-R81 HydrophobicContact CE2-CB 4.48Å; F79-L85 WeakPolarHBondContact O-CD1 3.41Å; F79-Y86 AromaticContact CD2-CD2 3.95Å; F79-Y86 HydrophobicContact CD2-CD2 3.95Å; F79-Y86 HydrophobicContact CD2-CG 4.16Å; F79-Y86 HydrophobicContact CE2-CD1 4.16Å; F79-Y86 AromaticContact CE2-CD2 3.52Å; F79-Y86 HydrophobicContact CE2-CD2 3.52Å; F79-Y86 HydrophobicContact CE2-CE2 4.25Å; F79-Y86 AromaticContact CE2-CG 3.48Å; F79-Y86 HydrophobicContact CE2-CG 3.48Å; F79-Y86 VanDerWaalsContact CE2-CG 3.48Å; F79-Y86 HydrophobicContact CZ-CD1 4.13Å; F79-Y86 HydrophobicContact CZ-CD2 4.24Å; F79-Y86 AromaticContact CZ-CG 3.72Å; F79-Y86 HydrophobicContact CZ-CG 3.72Å; F79-Y86 PolarHBondContact N-O 2.77Å; F79-Y86 PolarHBondContact O-N 3.47Å; F79-V88 HydrophobicContact CD1-CG2 4.11Å; F79-V88 HydrophobicContact CE1-CG2 3.61Å
80R83.6Confident89.7Confident56 Ų5642.5 Ų42.521%0.21120%0.197CC..EExtended strand (participates in β ladder)trans-114.8137.7172.2-80.4175.9175.6-113.21.7111.2I3 E48 G83 K84 L85I3-R80 HydrophobicContact CB-CG 4.43Å; I3-R80 HydrophobicContact CG2-CB 4.36Å; I3-R80 HydrophobicContact CG2-CG 3.92Å; E48-R80 IonicContact OE1-CZ 3.16Å; E48-R80 IonicContact OE1-NH1 3.01Å; E48-R80 PolarHBondContact OE1-NH1 3.36Å; E48-R80 IonicContact OE1-NH2 2.65Å; E48-R80 PolarHBondContact OE1-NH2 3.44Å; E48-R80 IonicContact OE2-CZ 3.17Å; E48-R80 IonicContact OE2-NH1 2.72Å; E48-R80 PolarHBondContact OE2-NH1 3.02Å; E48-R80 IonicContact OE2-NH2 2.77Å; E48-R80 PolarHBondContact OE2-NH2 3.11Å; R80-G83 PolarHBondContact NH1-O 3.03Å; R80-K84 VanDerWaalsContact CA-O 3.27Å; R80-K84 WeakPolarHBondContact CA-O 3.48Å; R80-L85 HydrophobicContact CG-CB 4.37Å; R80-L85 HydrophobicContact CG-CD1 4.15Å
81R80.6Confident89.8Confident57 Ų5740 Ų4022%0.21518%0.183CC..EExtended strand (participates in β ladder)trans-137.9122.3173.7-167.9-174.6-168.9-150.59.1109.9G7 F79 G83 K84 Y86G7-R81 PolarHBondContact O-NE 3.24Å; F79-R81 HydrophobicContact CE2-CB 4.48Å; R81-G83 VanDerWaalsContact C-N 3.33Å; R81-G83 PolarHBondContact O-N 2.98Å; R81-K84 PolarHBondContact N-O 2.88Å; R81-K84 PolarHBondContact O-N 2.99Å; R81-Y86 HydrophobicContact CB-CD2 4.42Å; R81-Y86 HydrophobicContact CB-CE2 3.88Å
82R82.4Confident89.7Confident216 Ų21640.7 Ų40.782%0.81519%0.188SC*.THydrogen-bonded Turntrans5150.1-176-61.6-178.6178.7177.5-1.7112K84R82-K84 PolarHBondContact O-N 2.82Å; R82-K84 VanDerWaalsContact O-N 3.1Å
83G77.3Confident89.4Confident44 Ų4444.3 Ų44.345%0.45420%0.204SC..THydrogen-bonded Turntrans82.6-38.4-177.900000114.9R80 R81R80-G83 PolarHBondContact NH1-O 3.03Å; R81-G83 VanDerWaalsContact C-N 3.33Å; R81-G83 PolarHBondContact O-N 2.98Å
84K80.8Confident89.3Confident62 Ų6246 Ų4627%0.2721%0.211SC..EExtended strand (participates in β ladder)trans-71.8137.8-171.8-42.9-173.9-174.4-140.20112.8D46 R80 R81 R82 Y86D46-K84 VanDerWaalsContact OD1-CD 3.22Å; D46-K84 WeakPolarHBondContact OD1-CD 3.27Å; D46-K84 WeakPolarHBondContact OD1-CE 3.46Å; D46-K84 IonicContact OD1-NZ 3.05Å; D46-K84 PolarHBondContact OD1-NZ 3.15Å; D46-K84 IonicContact OD2-NZ 2.66Å; D46-K84 PolarHBondContact OD2-NZ 3.1Å; R80-K84 VanDerWaalsContact CA-O 3.27Å; R80-K84 WeakPolarHBondContact CA-O 3.48Å; R81-K84 PolarHBondContact N-O 2.88Å; R81-K84 PolarHBondContact O-N 2.99Å; R82-K84 PolarHBondContact O-N 2.82Å; R82-K84 VanDerWaalsContact O-N 3.1Å; K84-Y86 HydrophobicContact CB-CE2 3.92Å; K84-Y86 WeakPolarHBondContact O-CD2 3.37Å; K84-Y86 WeakPolarHBondContact O-CE2 3.18Å
85L84.5Confident89.4Confident6 Ų644.4 Ų44.43%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-86.5138174.4-178.655.1000112.2I3 F44 T57 F79 R80 L87I3-L85 HydrophobicContact CD1-CD1 3.82Å; I3-L85 HydrophobicContact CD1-CD2 4.36Å; I3-L85 HydrophobicContact CG2-CD1 4.43Å; F44-L85 PolarHBondContact N-O 3.02Å; T57-L85 HydrophobicContact CG2-CD2 3.54Å; F79-L85 WeakPolarHBondContact O-CD1 3.41Å; R80-L85 HydrophobicContact CG-CB 4.37Å; R80-L85 HydrophobicContact CG-CD1 4.15Å; L85-L87 HydrophobicContact CD1-CD2 4.32Å; L85-L87 HydrophobicContact CG-CD2 4.47Å
86Y89.1Confident89.6Confident20 Ų2043.2 Ų43.28%0.07820%0.198CC..EExtended strand (participates in β ladder)trans-126.4132175-62.6-102.6000108.7M10 I41 K43 A78 F79 R81 K84M10-Y86 HydrophobicContact CE-CD1 4.41Å; M10-Y86 HydrophobicContact CE-CE1 4Å; M10-Y86 HydrophobicContact SD-CE1 4.45Å; I41-Y86 HydrophobicContact CG2-CD1 3.91Å; K43-Y86 HydrophobicContact CB-CD1 3.88Å; K43-Y86 HydrophobicContact CB-CE1 3.82Å; K43-Y86 HydrophobicContact CD-CE1 3.88Å; K43-Y86 HydrophobicContact CG-CD1 4.08Å; K43-Y86 HydrophobicContact CG-CE1 3.56Å; A78-Y86 WeakPolarHBondContact CA-O 3.01Å; F79-Y86 AromaticContact CD2-CD2 3.95Å; F79-Y86 HydrophobicContact CD2-CD2 3.95Å; F79-Y86 HydrophobicContact CD2-CG 4.16Å; F79-Y86 HydrophobicContact CE2-CD1 4.16Å; F79-Y86 AromaticContact CE2-CD2 3.52Å; F79-Y86 HydrophobicContact CE2-CD2 3.52Å; F79-Y86 HydrophobicContact CE2-CE2 4.25Å; F79-Y86 AromaticContact CE2-CG 3.48Å; F79-Y86 HydrophobicContact CE2-CG 3.48Å; F79-Y86 VanDerWaalsContact CE2-CG 3.48Å; F79-Y86 HydrophobicContact CZ-CD1 4.13Å; F79-Y86 HydrophobicContact CZ-CD2 4.24Å; F79-Y86 AromaticContact CZ-CG 3.72Å; F79-Y86 HydrophobicContact CZ-CG 3.72Å; F79-Y86 PolarHBondContact N-O 2.77Å; F79-Y86 PolarHBondContact O-N 3.47Å; R81-Y86 HydrophobicContact CB-CD2 4.42Å; R81-Y86 HydrophobicContact CB-CE2 3.88Å; K84-Y86 HydrophobicContact CB-CE2 3.92Å; K84-Y86 WeakPolarHBondContact O-CD2 3.37Å; K84-Y86 WeakPolarHBondContact O-CE2 3.18Å
87L90.7Very high89.8Confident0 Ų040.5 Ų40.50%019%0.187CC..EExtended strand (participates in β ladder)trans-111.8128.6171.7-59.4-178.3000108.8I41 K42 F44 L61 L75 A78 L85 F89I41-L87 CarbonylContact C-O 3.57Å; I41-L87 WeakPolarHBondContact CA-O 3.34Å; K42-L87 HydrophobicContact CB-CB 4.36Å; K42-L87 PolarHBondContact N-O 3.07Å; K42-L87 PolarHBondContact O-N 2.85Å; F44-L87 HydrophobicContact CE2-CD1 3.79Å; F44-L87 HydrophobicContact CE2-CG 3.94Å; F44-L87 HydrophobicContact CZ-CD1 4.06Å; L61-L87 HydrophobicContact CD1-CD2 4.03Å; L75-L87 HydrophobicContact CD1-CB 3.82Å; L75-L87 HydrophobicContact CD1-CD2 4.22Å; L75-L87 HydrophobicContact CD1-CG 4.45Å; A78-L87 HydrophobicContact CB-CD2 3.53Å; L85-L87 HydrophobicContact CD1-CD2 4.32Å; L85-L87 HydrophobicContact CG-CD2 4.47Å; L87-F89 HydrophobicContact CB-CD2 4.31Å; L87-F89 HydrophobicContact CB-CE2 3.55Å; L87-F89 HydrophobicContact CB-CZ 4.06Å; L87-F89 HydrophobicContact CD1-CE2 4.37Å; L87-F89 HydrophobicContact CD1-CZ 4.2Å
88V93.7Very high90.1Very high2 Ų240.6 Ų40.61%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-108120.5-178.8-176.30000109F13 V39 I41 K76 E77 F79F13-V88 HydrophobicContact CE1-CG1 4.31Å; F13-V88 HydrophobicContact CE2-CG2 4.34Å; F13-V88 HydrophobicContact CZ-CG1 4.16Å; F13-V88 HydrophobicContact CZ-CG2 4.21Å; V39-V88 HydrophobicContact CB-CG1 3.78Å; V39-V88 HydrophobicContact CG1-CG1 4.09Å; V39-V88 HydrophobicContact CG2-CG1 3.87Å; I41-V88 HydrophobicContact CD1-CG2 4.14Å; I41-V88 HydrophobicContact CG1-CG1 4.32Å; I41-V88 HydrophobicContact CG1-CG2 4.09Å; I41-V88 HydrophobicContact CG2-CG2 4.35Å; K76-V88 PolarHBondContact N-O 3.32Å; E77-V88 HydrophobicContact CG-CB 3.59Å; E77-V88 HydrophobicContact CG-CG1 4.22Å; E77-V88 HydrophobicContact CG-CG2 3.56Å; E77-V88 PolarHBondContact N-O 2.75Å; E77-V88 PolarHBondContact O-N 3.45Å; F79-V88 HydrophobicContact CD1-CG2 4.11Å; F79-V88 HydrophobicContact CE1-CG2 3.61Å
89F95.3Very high90.5Very high18 Ų1840.2 Ų40.28%0.07918%0.184CC..EExtended strand (participates in β ladder)trans-113.7163.6-179.2-62.7-91000111.3V39 A40 K42 L64 V73 E74 L75 L87V39-F89 WeakPolarHBondContact CA-O 3.37Å; V39-F89 WeakPolarHBondContact CB-O 3.49Å; A40-F89 HydrophobicContact CB-CB 4.37Å; A40-F89 PolarHBondContact N-O 3.18Å; A40-F89 PolarHBondContact O-N 3.21Å; K42-F89 HydrophobicContact CB-CD2 4.42Å; K42-F89 HydrophobicContact CB-CE2 3.9Å; K42-F89 HydrophobicContact CD-CE2 4.27Å; L64-F89 HydrophobicContact CD1-CE1 3.56Å; L64-F89 HydrophobicContact CD1-CZ 3.64Å; L64-F89 HydrophobicContact CD2-CE1 3.99Å; L64-F89 HydrophobicContact CG-CE1 4.4Å; V73-F89 HydrophobicContact CG1-CD1 3.85Å; V73-F89 HydrophobicContact CG1-CE1 4Å; V73-F89 HydrophobicContact CG2-CB 4.05Å; V73-F89 HydrophobicContact CG2-CD1 3.97Å; V73-F89 HydrophobicContact CG2-CG 4.37Å; E74-F89 CarbonylContact O-C 3.54Å; E74-F89 WeakPolarHBondContact O-CA 3.2Å; L75-F89 HydrophobicContact CB-CD1 4.16Å; L75-F89 HydrophobicContact CB-CE1 4.07Å; L75-F89 HydrophobicContact CD1-CD1 4.14Å; L75-F89 HydrophobicContact CD1-CE1 3.86Å; L75-F89 HydrophobicContact CD1-CE2 4.26Å; L75-F89 HydrophobicContact CD1-CG 4.49Å; L75-F89 HydrophobicContact CD1-CZ 3.92Å; L87-F89 HydrophobicContact CB-CD2 4.31Å; L87-F89 HydrophobicContact CB-CE2 3.55Å; L87-F89 HydrophobicContact CB-CZ 4.06Å; L87-F89 HydrophobicContact CD1-CE2 4.37Å; L87-F89 HydrophobicContact CD1-CZ 4.2Å
90E95.3Very high90.9Very high36 Ų3640.2 Ų40.217%0.16818%0.184CC..EExtended strand (participates in β ladder)trans-53.6142.515868.7-175.3137.500110.8V73 E74 K76 V92 K150V73-E90 WeakPolarHBondContact CA-OE1 3.36Å; V73-E90 HydrophobicContact CG2-CG 3.79Å; E74-E90 HydrophobicContact CB-CB 4.49Å; E74-E90 HydrophobicContact CB-CG 4.29Å; E74-E90 PolarHBondContact N-OE1 3.09Å; E74-E90 PolarHBondContact O-N 2.84Å; K76-E90 VanDerWaalsContact CE-CA 3.46Å; E90-V92 HydrophobicContact CG-CG2 4.24Å; E90-K150 VanDerWaalsContact CD-CE 3.5Å; E90-K150 VanDerWaalsContact CD-NZ 3.31Å; E90-K150 WeakPolarHBondContact OE1-CD 3.12Å; E90-K150 VanDerWaalsContact OE1-CE 3.27Å; E90-K150 WeakPolarHBondContact OE1-CE 3.43Å; E90-K150 IonicContact OE1-NZ 2.67Å; E90-K150 PolarHBondContact OE1-NZ 3.41Å; E90-K150 WeakPolarHBondContact OE2-CE 3.15Å; E90-K150 IonicContact OE2-NZ 2.7Å; E90-K150 PolarHBondContact OE2-NZ 3.02Å
91Y96.6Very high91.5Very high63 Ų6342.5 Ų42.525%0.24720%0.197CC..  trans-87.7123.9171.1175.5-104.3000110V19 K29 I38 A40 E93V19-Y91 HydrophobicContact CG2-CE2 4.17Å; K29-Y91 HydrophobicContact CD-CD2 4.36Å; K29-Y91 HydrophobicContact CD-CE1 4.23Å; K29-Y91 HydrophobicContact CD-CE2 3.8Å; K29-Y91 HydrophobicContact CG-CD2 4.15Å; K29-Y91 HydrophobicContact CG-CE2 4.05Å; K29-Y91 VanDerWaalsContact NZ-CE1 3.26Å; K29-Y91 PolarHBondContact NZ-OH 3.03Å; I38-Y91 HydrophobicContact CB-CD1 4.45Å; I38-Y91 HydrophobicContact CG2-CD1 3.65Å; I38-Y91 HydrophobicContact CG2-CE1 4.41Å; I38-Y91 HydrophobicContact CG2-CG 3.78Å; I38-Y91 WeakPolarHBondContact O-CB 3.47Å; A40-Y91 HydrophobicContact CB-CD2 4.42Å; Y91-E93 HydrophobicContact CE1-CB 4.5Å; Y91-E93 PolarHBondContact OH-O 2.68Å
92V96.3Very high92.3Very high16 Ų1646.4 Ų46.410%0.09722%0.218CC..  trans-109142.2169.7-171.30000107.7E90 L142 I143 K150E90-V92 HydrophobicContact CG-CG2 4.24Å; V92-L142 HydrophobicContact CB-CB 3.81Å; V92-L142 HydrophobicContact CB-CD1 4.08Å; V92-L142 HydrophobicContact CG1-CB 3.72Å; V92-L142 HydrophobicContact CG2-CB 4.11Å; V92-L142 HydrophobicContact CG2-CD1 3.99Å; V92-I143 VanDerWaalsContact CG1-O 3.32Å; V92-I143 WeakPolarHBondContact CG1-O 3.36Å; V92-K150 HydrophobicContact CG2-CD 3.8Å
93E89.7Confident93Very high78 Ų7838.7 Ų38.736%0.36419%0.191SC..SBendtrans-69.9-40-163.162-178.8-150.600115Y91 I143 H145Y91-E93 HydrophobicContact CE1-CB 4.5Å; Y91-E93 PolarHBondContact OH-O 2.68Å; E93-I143 WeakPolarHBondContact CG-O 3.42Å; E93-H145 WeakPolarHBondContact OE1-CA 3.33Å; E93-H145 PolarHBondContact OE1-N 2.81Å; E93-H145 WeakPolarHBondContact OE2-CB 3.18Å; E93-H145 PolarHBondContact OE2-N 2.99Å
94K93.5Very high93.9Very high45 Ų4538.7 Ų38.720%0.19618%0.183CC..EExtended strand (participates in β ladder)trans-145.9166.6-173.372.1-157.3169.5-142.70111.3E98 L142 I143K94-E98 WeakPolarHBondContact CA-OE2 3.13Å; K94-E98 VanDerWaalsContact CB-OE2 3.3Å; K94-E98 WeakPolarHBondContact CB-OE2 3.44Å; K94-L142 WeakPolarHBondContact O-CA 3.37Å; K94-I143 HydrophobicContact CG-CB 4.3Å; K94-I143 WeakPolarHBondContact CG-O 3.47Å; K94-I143 PolarHBondContact O-N 2.69Å
95N96.1Very high94.7Very high25 Ų2542.2 Ų42.213%0.13421%0.205CC..EExtended strand (participates in β ladder)trans-112.2173.417060.762.3000112.1L97 E98 L99 L141 L142N95-L97 VanDerWaalsContact C-N 3.32Å; N95-L97 WeakPolarHBondContact OD1-CA 3.47Å; N95-L97 WeakPolarHBondContact OD1-CB 3.05Å; N95-L97 PolarHBondContact OD1-N 3.24Å; N95-E98 VanDerWaalsContact CG-CD 3.49Å; N95-E98 PolarHBondContact N-OE2 2.81Å; N95-E98 PolarHBondContact ND2-OE1 2.84Å; N95-E98 PolarHBondContact ND2-OE2 2.87Å; N95-E98 PolarHBondContact O-N 2.68Å; N95-E98 WeakPolarHBondContact OD1-CG 3.3Å; N95-E98 PolarHBondContact OD1-N 3.46Å; N95-L99 PolarHBondContact O-N 2.86Å; N95-L141 CarbonylContact C-O 3.58Å; N95-L141 VanDerWaalsContact CA-O 3.3Å; N95-L141 WeakPolarHBondContact CA-O 3.3Å; N95-L142 HydrophobicContact CB-CD2 4.13Å
96M97.9Very high95.3Very high0 Ų042.7 Ų42.70%021%0.211CC..Hα-helixtrans-73.1-23.4-178.8-173.9178.7-7300112.7L99 L100 Y115 P138 L141 I143 L149 I200 L204M96-L99 PolarHBondContact O-N 3.49Å; M96-L100 HydrophobicContact CG-CD1 4.22Å; M96-L100 WeakPolarHBondContact O-CD1 3.08Å; M96-L100 VanDerWaalsContact O-CG 3.26Å; M96-L100 WeakPolarHBondContact O-CG 3.16Å; M96-L100 PolarHBondContact O-N 3.16Å; M96-L100 VanDerWaalsContact O-N 3.08Å; M96-Y115 HydrophobicContact CE-CD2 4.39Å; M96-Y115 HydrophobicContact CE-CG 4.27Å; M96-P138 HydrophobicContact CB-CB 3.99Å; M96-P138 WeakPolarHBondContact CB-O 3.38Å; M96-P138 HydrophobicContact CG-CB 4.11Å; M96-P138 PolarHBondContact N-O 2.87Å; M96-L141 HydrophobicContact CB-CB 3.97Å; M96-L141 HydrophobicContact CE-CB 4.25Å; M96-L141 HydrophobicContact CE-CD1 3.83Å; M96-L141 PolarHBondContact N-O 3.11Å; M96-L141 HydrophobicContact SD-CB 4.48Å; M96-L141 HydrophobicContact SD-CD1 3.79Å; M96-I143 HydrophobicContact CB-CD1 3.98Å; M96-I143 HydrophobicContact CE-CD1 4.15Å; M96-I143 HydrophobicContact CG-CD1 4.35Å; M96-L149 HydrophobicContact CE-CD1 3.58Å; M96-I200 HydrophobicContact SD-CG2 3.55Å; M96-I200 VanDerWaalsContact SD-CG2 3.55Å; M96-L204 HydrophobicContact CE-CD1 3.97Å; M96-L204 HydrophobicContact CE-CD2 4.22Å; M96-L204 HydrophobicContact CG-CD2 3.97Å; M96-L204 HydrophobicContact SD-CD1 3.92Å; M96-L204 HydrophobicContact SD-CD2 3.78Å; M96-L204 HydrophobicContact SD-CG 3.93Å
97L96Very high95.7Very high21 Ų2142.1 Ų42.111%0.1121%0.21CC..Hα-helixtrans-65.7-48.7172.2174.163.4000110.6N95 L99 L100 E101 P138 E139N95-L97 VanDerWaalsContact C-N 3.32Å; N95-L97 WeakPolarHBondContact OD1-CA 3.47Å; N95-L97 WeakPolarHBondContact OD1-CB 3.05Å; N95-L97 PolarHBondContact OD1-N 3.24Å; L97-L99 VanDerWaalsContact C-N 3.27Å; L97-L99 PolarHBondContact O-N 3.18Å; L97-L100 CarbonylContact O-C 3.54Å; L97-L100 WeakPolarHBondContact O-CB 3.26Å; L97-L100 PolarHBondContact O-N 3.27Å; L97-E101 PolarHBondContact O-N 2.91Å; L97-P138 HydrophobicContact CB-CB 4.07Å; L97-P138 PolarHBondContact N-O 2.78Å; L97-E139 HydrophobicContact CB-CG 4.43Å; L97-E139 HydrophobicContact CD2-CG 3.75Å
98E95.9Very high96.1Very high71 Ų7145.6 Ų45.633%0.33223%0.233SC..Hα-helixtrans-57.4-41.6174.7-71.1153.4-172.700111.3K94 N95 L100 E101 E102K94-E98 WeakPolarHBondContact CA-OE2 3.13Å; K94-E98 VanDerWaalsContact CB-OE2 3.3Å; K94-E98 WeakPolarHBondContact CB-OE2 3.44Å; N95-E98 VanDerWaalsContact CG-CD 3.49Å; N95-E98 PolarHBondContact N-OE2 2.81Å; N95-E98 PolarHBondContact ND2-OE1 2.84Å; N95-E98 PolarHBondContact ND2-OE2 2.87Å; N95-E98 PolarHBondContact O-N 2.68Å; N95-E98 WeakPolarHBondContact OD1-CG 3.3Å; N95-E98 PolarHBondContact OD1-N 3.46Å; E98-L100 VanDerWaalsContact C-N 3.28Å; E98-L100 PolarHBondContact O-N 2.88Å; E98-E101 PolarHBondContact O-N 2.85Å; E98-E101 VanDerWaalsContact O-N 3.11Å; E98-E102 WeakPolarHBondContact O-CG 2.94Å; E98-E102 PolarHBondContact O-N 2.84Å
99L97.3Very high96.2Very high6 Ų649.2 Ų49.23%0.03126%0.256CS..Hα-helixtrans-61.8-33.7175.6-167.771.5000113.1N95 M96 L97 M103 V107 Y115 I143N95-L99 PolarHBondContact O-N 2.86Å; M96-L99 PolarHBondContact O-N 3.49Å; L97-L99 VanDerWaalsContact C-N 3.27Å; L97-L99 PolarHBondContact O-N 3.18Å; L99-M103 HydrophobicContact CD1-CE 3.39Å; L99-M103 HydrophobicContact CD2-CE 4.24Å; L99-M103 HydrophobicContact CG-CE 3.62Å; L99-M103 WeakPolarHBondContact O-CB 3.3Å; L99-M103 PolarHBondContact O-N 3.49Å; L99-V107 HydrophobicContact CD2-CG1 4.24Å; L99-V107 HydrophobicContact CG-CG1 4.43Å; L99-Y115 HydrophobicContact CD2-CD2 4.45Å; L99-Y115 HydrophobicContact CD2-CE2 3.52Å; L99-I143 HydrophobicContact CD2-CD1 3.66Å
100L97.3Very high96.2Very high2 Ų253.8 Ų53.81%0.0128%0.278CS..Hα-helixtrans-80.2-21175.7-71.7162.3000112.9M96 L97 E98 M103 P104 P138 E203 L204M96-L100 HydrophobicContact CG-CD1 4.22Å; M96-L100 WeakPolarHBondContact O-CD1 3.08Å; M96-L100 VanDerWaalsContact O-CG 3.26Å; M96-L100 WeakPolarHBondContact O-CG 3.16Å; M96-L100 PolarHBondContact O-N 3.16Å; M96-L100 VanDerWaalsContact O-N 3.08Å; L97-L100 CarbonylContact O-C 3.54Å; L97-L100 WeakPolarHBondContact O-CB 3.26Å; L97-L100 PolarHBondContact O-N 3.27Å; E98-L100 VanDerWaalsContact C-N 3.28Å; E98-L100 PolarHBondContact O-N 2.88Å; L100-M103 CarbonylContact O-C 3.54Å; L100-P104 WeakPolarHBondContact O-CA 3.49Å; L100-P138 HydrophobicContact CD1-CB 4.05Å; L100-P138 HydrophobicContact CD1-CG 4.03Å; L100-E203 HydrophobicContact CD1-CG 3.85Å; L100-E203 HydrophobicContact CD2-CG 4.18Å; L100-E203 WeakPolarHBondContact CD2-O 3.2Å; L100-L204 HydrophobicContact CD2-CD2 4.38Å
101E96.2Very high96.3Very high105 Ų10555.1 Ų55.149%0.49128%0.283SS..Hα-helixtrans-77.8-36169-69.1-178.5171.400111.4L97 E98L97-E101 PolarHBondContact O-N 2.91Å; E98-E101 PolarHBondContact O-N 2.85Å; E98-E101 VanDerWaalsContact O-N 3.11Å
102E97.1Very high96.4Very high139 Ų13952.2 Ų52.265%0.6527%0.272SS*.Hα-helixtrans-69.3-38.4170.4-70.8-178.6164.300112.9E98 P104E98-E102 WeakPolarHBondContact O-CG 2.94Å; E98-E102 PolarHBondContact O-N 2.84Å; E102-P104 VanDerWaalsContact C-CD 3.44Å; E102-P104 VanDerWaalsContact O-CD 3.24Å; E102-P104 WeakPolarHBondContact O-CD 3.25Å
103M97Very high96.4Very high54 Ų5453 Ų5327%0.26627%0.274SS..SBendtrans-116.274.4177.6-72.5-179.1-80.200111.4L99 L100 N105 G106 V107L99-M103 HydrophobicContact CD1-CE 3.39Å; L99-M103 HydrophobicContact CD2-CE 4.24Å; L99-M103 HydrophobicContact CG-CE 3.62Å; L99-M103 WeakPolarHBondContact O-CB 3.3Å; L99-M103 PolarHBondContact O-N 3.49Å; L100-M103 CarbonylContact O-C 3.54Å; M103-N105 PolarHBondContact O-N 2.9Å; M103-G106 PolarHBondContact O-N 3.44Å; M103-G106 VanDerWaalsContact O-N 3.08Å; M103-V107 HydrophobicContact CB-CG1 4.3Å; M103-V107 HydrophobicContact CE-CB 4.17Å; M103-V107 HydrophobicContact CE-CG1 3.58Å; M103-V107 HydrophobicContact SD-CB 4.19Å; M103-V107 HydrophobicContact SD-CG1 4Å
104P96.1Very high96.8Very high44 Ų4451 Ų5129%0.28627%0.269SS..THydrogen-bonded Turntrans-68.1-3.8-171.928.6-37.9000115.6L100 E102 Q208 R607L100-P104 WeakPolarHBondContact O-CA 3.49Å; E102-P104 VanDerWaalsContact C-CD 3.44Å; E102-P104 VanDerWaalsContact O-CD 3.24Å; E102-P104 WeakPolarHBondContact O-CD 3.25Å; P104-Q208 PolarHBondContact O-NE2 2.97Å; P104-R607 VanDerWaalsContact CB-NH2 3.33Å
105N96.9Very high97.1Very high135 Ų13548.9 Ų48.972%0.72226%0.259SS*.THydrogen-bonded Turntrans-114.213.1179.4-58.8-17.6000112.2M103 D206M103-N105 PolarHBondContact O-N 2.9Å; N105-D206 CarbonylContact C-O 3.27Å; N105-D206 VanDerWaalsContact C-O 3.27Å; N105-D206 WeakPolarHBondContact CA-O 3.33Å; N105-D206 CarbonylContact O-C 3.45Å; N105-D206 WeakPolarHBondContact O-CA 3.46Å
106G97.3Very high97.2Very high16 Ų1647.7 Ų47.717%0.16525%0.253CS..  trans92.5167.6-175.200000113.4M103 L204M103-G106 PolarHBondContact O-N 3.44Å; M103-G106 VanDerWaalsContact O-N 3.08Å; G106-L204 CarbonylContact C-O 3.6Å; G106-L204 WeakPolarHBondContact CA-O 3.39Å
107V98.2Very high97.2Very high9 Ų948.5 Ų48.56%0.05526%0.256CS..  trans-102.3158.7-178-46.50000110.8L99 M103 K111 V112 Y115 L204L99-V107 HydrophobicContact CD2-CG1 4.24Å; L99-V107 HydrophobicContact CG-CG1 4.43Å; M103-V107 HydrophobicContact CB-CG1 4.3Å; M103-V107 HydrophobicContact CE-CB 4.17Å; M103-V107 HydrophobicContact CE-CG1 3.58Å; M103-V107 HydrophobicContact SD-CB 4.19Å; M103-V107 HydrophobicContact SD-CG1 4Å; V107-K111 HydrophobicContact CB-CB 4.31Å; V107-K111 HydrophobicContact CG2-CB 3.77Å; V107-V112 HydrophobicContact CG2-CG2 3.63Å; V107-Y115 HydrophobicContact CG2-CE2 4.46Å; V107-L204 HydrophobicContact CG1-CD2 4.21Å; V107-L204 HydrophobicContact CG2-CB 4.46Å; V107-L204 HydrophobicContact CG2-CD2 4.06Å; V107-L204 PolarHBondContact N-O 3.29Å
108P97.7Very high97.3Very high73 Ų7348.5 Ų48.547%0.47426%0.256SS..  trans-54.6142.3179.7-28.136000112.9E110 K111 V112P108-E110 PolarHBondContact O-N 3.22Å; P108-K111 WeakPolarHBondContact O-CA 3.43Å; P108-K111 WeakPolarHBondContact O-CB 3.46Å; P108-K111 PolarHBondContact O-N 3.31Å; P108-V112 PolarHBondContact O-N 2.94Å; P108-V112 VanDerWaalsContact O-N 3.09Å
109P96.1Very high97.5Very high78 Ų7845.1 Ų45.151%0.50624%0.24SC..Hα-helixtrans-54.8-30.8-172.4-31.136.5000115.8V112 K113P109-V112 PolarHBondContact O-N 3.34Å; P109-K113 WeakPolarHBondContact O-CB 3.29Å; P109-K113 PolarHBondContact O-N 3.04Å
110E95.7Very high97.6Very high114 Ų11444.9 Ų44.953%0.53324%0.239SC..Hα-helixtrans-72.4-29.5174.6-61.4-52.3135.500113.1P108 K113 S114P108-E110 PolarHBondContact O-N 3.22Å; E110-K113 IonicContact OE1-NZ 2.69Å; E110-K113 PolarHBondContact OE1-NZ 3.44Å; E110-K113 WeakPolarHBondContact OE2-CE 3.36Å; E110-K113 IonicContact OE2-NZ 2.69Å; E110-K113 PolarHBondContact OE2-NZ 3.4Å; E110-S114 VanDerWaalsContact O-CB 3.3Å; E110-S114 WeakPolarHBondContact O-CB 3.41Å; E110-S114 PolarHBondContact O-N 2.83Å
111K97.3Very high97.6Very high64 Ų6447 Ų4728%0.27825%0.248SC..Hα-helixtrans-71.4-40.9168.6-76.8-158165-151.80111.6V107 P108 K113 S114 Y115 D147V107-K111 HydrophobicContact CB-CB 4.31Å; V107-K111 HydrophobicContact CG2-CB 3.77Å; P108-K111 WeakPolarHBondContact O-CA 3.43Å; P108-K111 WeakPolarHBondContact O-CB 3.46Å; P108-K111 PolarHBondContact O-N 3.31Å; K111-K113 VanDerWaalsContact C-N 3.32Å; K111-K113 PolarHBondContact O-N 3.47Å; K111-S114 PolarHBondContact O-N 3.48Å; K111-Y115 HydrophobicContact CB-CD2 4.33Å; K111-Y115 HydrophobicContact CB-CE2 3.92Å; K111-Y115 HydrophobicContact CD-CE2 4.21Å; K111-Y115 HydrophobicContact CG-CE2 4.48Å; K111-Y115 PolarHBondContact NZ-OH 3.17Å; K111-Y115 VanDerWaalsContact O-CD2 3.23Å; K111-Y115 WeakPolarHBondContact O-CD2 3.45Å; K111-Y115 PolarHBondContact O-N 3.08Å; K111-D147 WeakPolarHBondContact CE-OD2 3.32Å; K111-D147 IonicContact NZ-OD1 2.63Å; K111-D147 PolarHBondContact NZ-OD1 3.4Å; K111-D147 IonicContact NZ-OD2 2.65Å; K111-D147 PolarHBondContact NZ-OD2 2.86Å
112V98.3Very high97.7Very high2 Ų242 Ų421%0.01222%0.224CC..Hα-helixtrans-54.4-51.9170.9-1740000109.9V107 P108 P109 S114 Y115 I116 L201 L204V107-V112 HydrophobicContact CG2-CG2 3.63Å; P108-V112 PolarHBondContact O-N 2.94Å; P108-V112 VanDerWaalsContact O-N 3.09Å; P109-V112 PolarHBondContact O-N 3.34Å; V112-S114 PolarHBondContact O-N 3.26Å; V112-Y115 PolarHBondContact O-N 3.42Å; V112-I116 HydrophobicContact CG1-CG1 4.33Å; V112-I116 WeakPolarHBondContact O-CB 3.42Å; V112-I116 VanDerWaalsContact O-CG1 3.26Å; V112-I116 WeakPolarHBondContact O-CG1 3.46Å; V112-I116 PolarHBondContact O-N 3.42Å; V112-L201 HydrophobicContact CG1-CG 4.45Å; V112-L204 HydrophobicContact CG1-CB 4.1Å; V112-L204 HydrophobicContact CG2-CB 4.19Å
113K97.9Very high97.8Very high31 Ų3135.4 Ų35.414%0.13519%0.194CC..Hα-helixtrans-60.5-42.4179.7-162.1-170.2-62.4163.30112.2P109 E110 K111 Y117 T296 F297P109-K113 WeakPolarHBondContact O-CB 3.29Å; P109-K113 PolarHBondContact O-N 3.04Å; E110-K113 IonicContact OE1-NZ 2.69Å; E110-K113 PolarHBondContact OE1-NZ 3.44Å; E110-K113 WeakPolarHBondContact OE2-CE 3.36Å; E110-K113 IonicContact OE2-NZ 2.69Å; E110-K113 PolarHBondContact OE2-NZ 3.4Å; K111-K113 VanDerWaalsContact C-N 3.32Å; K111-K113 PolarHBondContact O-N 3.47Å; K113-Y117 VanDerWaalsContact O-CB 3.27Å; K113-Y117 WeakPolarHBondContact O-CB 3.25Å; K113-Y117 PolarHBondContact O-N 3.39Å; K113-Y117 VanDerWaalsContact O-N 3.08Å; K113-T296 WeakPolarHBondContact CD-O 3.15Å; K113-T296 HydrophobicContact CG-CG2 4.19Å; K113-F297 HydrophobicContact CG-CD1 4.21Å; K113-F297 HydrophobicContact CG-CE1 4.21Å; K113-F297 WeakPolarHBondContact O-CE1 3.19Å
114S97.7Very high97.8Very high37 Ų3735.6 Ų35.626%0.25919%0.194SC..Hα-helixtrans-64.9-53.6176.7-178.40000112.8E110 K111 V112 I116 Y117 Q118E110-S114 VanDerWaalsContact O-CB 3.3Å; E110-S114 WeakPolarHBondContact O-CB 3.41Å; E110-S114 PolarHBondContact O-N 2.83Å; K111-S114 PolarHBondContact O-N 3.48Å; V112-S114 PolarHBondContact O-N 3.26Å; S114-I116 PolarHBondContact O-N 2.81Å; S114-Y117 WeakPolarHBondContact O-CB 3.46Å; S114-Y117 PolarHBondContact O-N 3.22Å; S114-Q118 WeakPolarHBondContact O-CG 3.12Å; S114-Q118 PolarHBondContact O-N 3.42Å; S114-Q118 PolarHBondContact OG-NE2 2.92Å
115Y98.6Very high97.9Very high0 Ų037.1 Ų37.10%019%0.194CC..Hα-helixtrans-65.5-40.6-176.7-61.7-38.6000111.9M96 L99 V107 K111 V112 Q118 L119 I143 D147 L149 L204M96-Y115 HydrophobicContact CE-CD2 4.39Å; M96-Y115 HydrophobicContact CE-CG 4.27Å; L99-Y115 HydrophobicContact CD2-CD2 4.45Å; L99-Y115 HydrophobicContact CD2-CE2 3.52Å; V107-Y115 HydrophobicContact CG2-CE2 4.46Å; K111-Y115 HydrophobicContact CB-CD2 4.33Å; K111-Y115 HydrophobicContact CB-CE2 3.92Å; K111-Y115 HydrophobicContact CD-CE2 4.21Å; K111-Y115 HydrophobicContact CG-CE2 4.48Å; K111-Y115 PolarHBondContact NZ-OH 3.17Å; K111-Y115 VanDerWaalsContact O-CD2 3.23Å; K111-Y115 WeakPolarHBondContact O-CD2 3.45Å; K111-Y115 PolarHBondContact O-N 3.08Å; V112-Y115 PolarHBondContact O-N 3.42Å; Y115-Q118 PolarHBondContact O-N 2.82Å; Y115-L119 VanDerWaalsContact O-CB 3.22Å; Y115-L119 WeakPolarHBondContact O-CB 3.27Å; Y115-L119 PolarHBondContact O-N 3.02Å; Y115-I143 HydrophobicContact CD1-CD1 4.47Å; Y115-I143 HydrophobicContact CE1-CD1 4.14Å; Y115-I143 HydrophobicContact CE1-CG2 3.98Å; Y115-I143 HydrophobicContact CE2-CD1 4.32Å; Y115-D147 HydrophobicContact CE1-CB 4.14Å; Y115-D147 PolarHBondContact OH-OD1 3.1Å; Y115-L149 HydrophobicContact CD1-CD1 4.44Å; Y115-L149 HydrophobicContact CG-CD1 4.49Å; Y115-L204 HydrophobicContact CD2-CD1 4.4Å; Y115-L204 HydrophobicContact CD2-CD2 4.23Å
116I98.8Very high97.9Very high1 Ų130.8 Ų30.81%0.00516%0.16CC..Hα-helixtrans-66.2-38.4176-63.6-65.5000111.1V112 S114 L119 I120 V197 I200 L201 L204 F297V112-I116 HydrophobicContact CG1-CG1 4.33Å; V112-I116 WeakPolarHBondContact O-CB 3.42Å; V112-I116 VanDerWaalsContact O-CG1 3.26Å; V112-I116 WeakPolarHBondContact O-CG1 3.46Å; V112-I116 PolarHBondContact O-N 3.42Å; S114-I116 PolarHBondContact O-N 2.81Å; I116-L119 HydrophobicContact CD1-CD2 4.35Å; I116-L119 PolarHBondContact O-N 3.4Å; I116-I120 HydrophobicContact CG2-CD1 3.62Å; I116-I120 HydrophobicContact CG2-CG1 4.31Å; I116-I120 WeakPolarHBondContact O-CB 3.38Å; I116-I120 WeakPolarHBondContact O-CD1 3.3Å; I116-I120 WeakPolarHBondContact O-CG1 3.38Å; I116-I120 PolarHBondContact O-N 3.32Å; I116-V197 HydrophobicContact CD1-CG1 4.15Å; I116-V197 HydrophobicContact CG2-CG1 3.89Å; I116-I200 HydrophobicContact CD1-CG2 4.13Å; I116-L201 HydrophobicContact CD1-CB 3.9Å; I116-L201 HydrophobicContact CD1-CG 4.46Å; I116-L201 HydrophobicContact CG1-CB 4.16Å; I116-L201 HydrophobicContact CG1-CG 4.16Å; I116-L201 HydrophobicContact CG2-CD1 4.32Å; I116-L204 HydrophobicContact CD1-CD1 4.02Å; I116-L204 HydrophobicContact CG1-CD1 4.14Å; I116-F297 HydrophobicContact CG2-CZ 3.89Å
117Y98.6Very high97.9Very high17 Ų1730.3 Ų30.37%0.06715%0.153CC..Hα-helixtrans-60.6-47.5173.7-176.5-114.4000112.3K113 S114 I120 K121 L292 F297 Q300 R301 D304K113-Y117 VanDerWaalsContact O-CB 3.27Å; K113-Y117 WeakPolarHBondContact O-CB 3.25Å; K113-Y117 PolarHBondContact O-N 3.39Å; K113-Y117 VanDerWaalsContact O-N 3.08Å; S114-Y117 WeakPolarHBondContact O-CB 3.46Å; S114-Y117 PolarHBondContact O-N 3.22Å; Y117-I120 PolarHBondContact O-N 3.5Å; Y117-K121 HydrophobicContact CD1-CD 3.87Å; Y117-K121 HydrophobicContact CE1-CD 3.42Å; Y117-K121 VanDerWaalsContact CE1-CD 3.42Å; Y117-K121 HydrophobicContact CE1-CG 4.46Å; Y117-K121 HydrophobicContact CE2-CD 4.42Å; Y117-K121 PolarHBondContact O-N 3.2Å; Y117-L292 HydrophobicContact CD2-CD2 3.7Å; Y117-L292 HydrophobicContact CE2-CD2 3.49Å; Y117-L292 VanDerWaalsContact CE2-CD2 3.49Å; Y117-F297 HydrophobicContact CD2-CB 3.67Å; Y117-F297 AromaticContact CD2-CD1 3.66Å; Y117-F297 HydrophobicContact CD2-CD1 3.66Å; Y117-F297 HydrophobicContact CD2-CD2 4.17Å; Y117-F297 HydrophobicContact CD2-CE1 4.37Å; Y117-F297 AromaticContact CD2-CG 3.55Å; Y117-F297 HydrophobicContact CD2-CG 3.55Å; Y117-F297 HydrophobicContact CE2-CB 3.86Å; Y117-F297 HydrophobicContact CE2-CG 4.22Å; Y117-F297 HydrophobicContact CG-CD1 4.07Å; Y117-F297 HydrophobicContact CG-CG 4.41Å; Y117-Q300 HydrophobicContact CD1-CB 3.73Å; Y117-Q300 HydrophobicContact CD1-CG 3.67Å; Y117-Q300 HydrophobicContact CD2-CB 3.97Å; Y117-Q300 HydrophobicContact CD2-CG 4.28Å; Y117-Q300 HydrophobicContact CE1-CB 3.63Å; Y117-Q300 HydrophobicContact CE1-CG 4.09Å; Y117-Q300 HydrophobicContact CE2-CB 3.88Å; Y117-Q300 HydrophobicContact CG-CB 3.89Å; Y117-Q300 HydrophobicContact CG-CG 3.78Å; Y117-R301 HydrophobicContact CE2-CG 4.49Å; Y117-D304 PolarHBondContact OH-OD2 2.98Å
118Q98.5Very high97.8Very high21 Ų2136.8 Ų36.810%0.09818%0.181CC..Hα-helixtrans-65.5-38.9178-68.6-175.470.500112.5N71 S114 Y115 K121 A122 D147 V148 L149N71-Q118 PolarHBondContact ND2-OE1 3.01Å; S114-Q118 WeakPolarHBondContact O-CG 3.12Å; S114-Q118 PolarHBondContact O-N 3.42Å; S114-Q118 PolarHBondContact OG-NE2 2.92Å; Y115-Q118 PolarHBondContact O-N 2.82Å; Q118-K121 WeakPolarHBondContact O-CB 3.36Å; Q118-K121 PolarHBondContact O-N 2.93Å; Q118-A122 PolarHBondContact O-N 3.15Å; Q118-D147 PolarHBondContact NE2-O 3.42Å; Q118-V148 VanDerWaalsContact OE1-CA 3.31Å; Q118-L149 HydrophobicContact CB-CB 3.98Å; Q118-L149 HydrophobicContact CB-CD2 4.41Å
119L98.8Very high97.6Very high0 Ų035.5 Ų35.50%017%0.17CC..Hα-helixtrans-63.1-44175177.457.6000111.6Y115 I116 K121 A122 I123 I136 L141 L149 V197 I200Y115-L119 VanDerWaalsContact O-CB 3.22Å; Y115-L119 WeakPolarHBondContact O-CB 3.27Å; Y115-L119 PolarHBondContact O-N 3.02Å; I116-L119 HydrophobicContact CD1-CD2 4.35Å; I116-L119 PolarHBondContact O-N 3.4Å; L119-K121 VanDerWaalsContact C-N 3.33Å; L119-K121 PolarHBondContact O-N 2.82Å; L119-A122 WeakPolarHBondContact O-CB 3.47Å; L119-A122 PolarHBondContact O-N 3.06Å; L119-I123 HydrophobicContact CD1-CD1 3.71Å; L119-I123 HydrophobicContact CD1-CG1 4.17Å; L119-I123 HydrophobicContact CG-CD1 3.85Å; L119-I123 WeakPolarHBondContact O-CB 3.45Å; L119-I123 VanDerWaalsContact O-CG1 3.3Å; L119-I123 WeakPolarHBondContact O-CG1 3.4Å; L119-I123 PolarHBondContact O-N 3Å; L119-I136 HydrophobicContact CD1-CG2 4.49Å; L119-L141 HydrophobicContact CD1-CD1 4.04Å; L119-L141 HydrophobicContact CD1-CD2 3.55Å; L119-L141 HydrophobicContact CD1-CG 4.47Å; L119-L141 HydrophobicContact CD2-CD1 3.83Å; L119-L149 HydrophobicContact CB-CD1 4.44Å; L119-L149 HydrophobicContact CB-CD2 4.26Å; L119-V197 HydrophobicContact CD2-CB 4.47Å; L119-V197 HydrophobicContact CD2-CG1 4.32Å; L119-V197 HydrophobicContact CD2-CG2 3.95Å; L119-V197 HydrophobicContact CG-CG2 4.08Å; L119-I200 HydrophobicContact CD2-CD1 4.46Å; L119-I200 HydrophobicContact CD2-CG2 4.44Å
120I98.8Very high97.4Very high0 Ų035 Ų350%016%0.163CC..Hα-helixtrans-67.5-34.8176.2-62.2161.9000110.6I116 Y117 H124 V197 T288 C291 L292 F297I116-I120 HydrophobicContact CG2-CD1 3.62Å; I116-I120 HydrophobicContact CG2-CG1 4.31Å; I116-I120 WeakPolarHBondContact O-CB 3.38Å; I116-I120 WeakPolarHBondContact O-CD1 3.3Å; I116-I120 WeakPolarHBondContact O-CG1 3.38Å; I116-I120 PolarHBondContact O-N 3.32Å; Y117-I120 PolarHBondContact O-N 3.5Å; I120-H124 WeakPolarHBondContact O-CB 3.46Å; I120-H124 PolarHBondContact O-N 3.25Å; I120-V197 HydrophobicContact CD1-CG1 4.17Å; I120-V197 HydrophobicContact CG1-CG1 3.91Å; I120-T288 HydrophobicContact CG2-CG2 4.1Å; I120-C291 HydrophobicContact CD1-CB 4.01Å; I120-C291 HydrophobicContact CG2-CB 4.05Å; I120-L292 HydrophobicContact CB-CD2 4.17Å; I120-L292 HydrophobicContact CG2-CD1 4.28Å; I120-L292 HydrophobicContact CG2-CD2 3.8Å; I120-L292 HydrophobicContact CG2-CG 3.65Å; I120-F297 HydrophobicContact CD1-CE2 3.82Å; I120-F297 HydrophobicContact CD1-CZ 3.93Å
121K98.1Very high97.3Very high46 Ų4629.8 Ų29.820%0.214%0.139CC..Hα-helixtrans-61.9-44.6170.8-79.1173.258.51710112.3Y117 Q118 L119 H124 W125 L292 D304Y117-K121 HydrophobicContact CD1-CD 3.87Å; Y117-K121 HydrophobicContact CE1-CD 3.42Å; Y117-K121 VanDerWaalsContact CE1-CD 3.42Å; Y117-K121 HydrophobicContact CE1-CG 4.46Å; Y117-K121 HydrophobicContact CE2-CD 4.42Å; Y117-K121 PolarHBondContact O-N 3.2Å; Q118-K121 WeakPolarHBondContact O-CB 3.36Å; Q118-K121 PolarHBondContact O-N 2.93Å; L119-K121 VanDerWaalsContact C-N 3.33Å; L119-K121 PolarHBondContact O-N 2.82Å; K121-H124 PolarHBondContact O-N 3.18Å; K121-W125 PolarHBondContact O-N 2.99Å; K121-W125 VanDerWaalsContact O-N 3.1Å; K121-L292 HydrophobicContact CG-CD2 3.96Å; K121-D304 IonicContact NZ-OD1 2.7Å; K121-D304 IonicContact NZ-OD2 2.68Å; K121-D304 PolarHBondContact NZ-OD2 2.84Å
122A98.3Very high97.1Very high0 Ų026.8 Ų26.80%013%0.126CC..Hα-helixtrans-60.4-50.4175.100000111.8N71 I72 Q118 L119 H124 W125 C126 L151N71-A122 HydrophobicContact CB-CB 3.75Å; N71-A122 WeakPolarHBondContact O-CB 3.48Å; I72-A122 HydrophobicContact CD1-CB 3.97Å; Q118-A122 PolarHBondContact O-N 3.15Å; L119-A122 WeakPolarHBondContact O-CB 3.47Å; L119-A122 PolarHBondContact O-N 3.06Å; A122-H124 VanDerWaalsContact C-N 3.32Å; A122-H124 PolarHBondContact O-N 2.69Å; A122-W125 WeakPolarHBondContact O-CB 3.06Å; A122-W125 PolarHBondContact O-N 3.21Å; A122-C126 PolarHBondContact O-N 3.25Å; A122-C126 VanDerWaalsContact O-N 3.08Å; A122-C126 PolarHBondContact O-SG 2.87Å; A122-C126 VanDerWaalsContact O-SG 3.39Å; A122-L151 HydrophobicContact CB-CB 4.21Å; A122-L151 HydrophobicContact CB-CD2 4.49Å
123I98.4Very high96.9Very high1 Ų126.7 Ų26.71%0.00513%0.125CC..Hα-helixtrans-65.2-36.3179.7-65.7168000110.8L119 W125 C126 H127 I136 D193 M194 V197 T288L119-I123 HydrophobicContact CD1-CD1 3.71Å; L119-I123 HydrophobicContact CD1-CG1 4.17Å; L119-I123 HydrophobicContact CG-CD1 3.85Å; L119-I123 WeakPolarHBondContact O-CB 3.45Å; L119-I123 VanDerWaalsContact O-CG1 3.3Å; L119-I123 WeakPolarHBondContact O-CG1 3.4Å; L119-I123 PolarHBondContact O-N 3Å; I123-W125 VanDerWaalsContact C-N 3.32Å; I123-W125 PolarHBondContact O-N 3.37Å; I123-C126 WeakPolarHBondContact O-CB 3.08Å; I123-C126 PolarHBondContact O-N 3.22Å; I123-H127 WeakPolarHBondContact CG2-CE1 3.46Å; I123-H127 WeakPolarHBondContact CG2-NE2 3.28Å; I123-H127 VanDerWaalsContact O-CB 3.3Å; I123-H127 WeakPolarHBondContact O-CB 3.31Å; I123-H127 PolarHBondContact O-CD2 3.41Å; I123-H127 VanDerWaalsContact O-CG 3.24Å; I123-H127 PolarHBondContact O-N 3.33Å; I123-I136 HydrophobicContact CD1-CD1 4.17Å; I123-I136 HydrophobicContact CD1-CG1 4.37Å; I123-I136 HydrophobicContact CG1-CD1 4.24Å; I123-D193 HydrophobicContact CD1-CB 4.34Å; I123-D193 HydrophobicContact CG2-CB 3.9Å; I123-M194 HydrophobicContact CG2-SD 4.14Å; I123-V197 HydrophobicContact CD1-CG2 3.36Å; I123-T288 HydrophobicContact CB-CG2 4.19Å; I123-T288 HydrophobicContact CG2-CG2 3.73Å
124H98.2Very high96.6Very high59 Ų5926.4 Ų26.427%0.27312%0.123SC..Hα-helixtrans-60-42.2174-176.476.2000111.6I120 K121 A122 H127 K128 T288 L292I120-H124 WeakPolarHBondContact O-CB 3.46Å; I120-H124 PolarHBondContact O-N 3.25Å; K121-H124 PolarHBondContact O-N 3.18Å; A122-H124 VanDerWaalsContact C-N 3.32Å; A122-H124 PolarHBondContact O-N 2.69Å; H124-H127 PolarHBondContact O-N 2.95Å; H124-K128 VanDerWaalsContact O-CB 3.28Å; H124-K128 WeakPolarHBondContact O-CB 3.23Å; H124-K128 PolarHBondContact O-N 2.83Å; H124-T288 HydrophobicContact CB-CG2 4.17Å; H124-T288 PolarHBondContact ND1-OG1 2.82Å; H124-L292 HydrophobicContact CB-CD1 4.22Å
125W97.5Very high96.4Very high76 Ų7625 Ų2529%0.28811%0.113SC..Hα-helixtrans-64.2-43.4175.8-178.6-110.6000112.4Q69 K121 A122 I123 K128 N129Q69-W125 HydrophobicContact CB-CB 4.47Å; Q69-W125 VanDerWaalsContact CB-CD1 3.43Å; Q69-W125 HydrophobicContact CB-CD2 3.98Å; Q69-W125 HydrophobicContact CB-CG 3.72Å; Q69-W125 HydrophobicContact CG-CB 4.3Å; Q69-W125 HydrophobicContact CG-CD2 4.21Å; Q69-W125 HydrophobicContact CG-CG 3.95Å; K121-W125 PolarHBondContact O-N 2.99Å; K121-W125 VanDerWaalsContact O-N 3.1Å; A122-W125 WeakPolarHBondContact O-CB 3.06Å; A122-W125 PolarHBondContact O-N 3.21Å; I123-W125 VanDerWaalsContact C-N 3.32Å; I123-W125 PolarHBondContact O-N 3.37Å; W125-K128 PolarHBondContact O-N 2.89Å; W125-N129 PolarHBondContact O-N 3.43Å; W125-N129 PolarHBondContact O-ND2 2.89Å
126C96.8Very high96.3Very high1 Ų125.1 Ų25.11%0.00711%0.113CC..Hα-helixtrans-58.5-50.9172.3-62.60000111.6A122 I123 K128 N129 D130 I131A122-C126 PolarHBondContact O-N 3.25Å; A122-C126 VanDerWaalsContact O-N 3.08Å; A122-C126 PolarHBondContact O-SG 2.87Å; A122-C126 VanDerWaalsContact O-SG 3.39Å; I123-C126 WeakPolarHBondContact O-CB 3.08Å; I123-C126 PolarHBondContact O-N 3.22Å; C126-K128 VanDerWaalsContact C-N 3.29Å; C126-K128 PolarHBondContact O-N 3.25Å; C126-N129 CarbonylContact O-C 3.58Å; C126-N129 WeakPolarHBondContact O-CA 3.43Å; C126-N129 PolarHBondContact O-N 3.25Å; C126-D130 PolarHBondContact O-N 2.87Å; C126-I131 CarbonylContact C-O 3.6Å; C126-I131 WeakPolarHBondContact CB-O 3.46Å; C126-I131 PolarHBondContact O-N 3.05Å
127H96.8Very high96.2Very high6 Ų625.5 Ų25.53%0.02812%0.115CC..Hα-helixtrans-64.8-28.9-178.2-74.8-174.2000113.6I123 H124 N129 D130 I131 K190 D193I123-H127 WeakPolarHBondContact CG2-CE1 3.46Å; I123-H127 WeakPolarHBondContact CG2-NE2 3.28Å; I123-H127 VanDerWaalsContact O-CB 3.3Å; I123-H127 WeakPolarHBondContact O-CB 3.31Å; I123-H127 PolarHBondContact O-CD2 3.41Å; I123-H127 VanDerWaalsContact O-CG 3.24Å; I123-H127 PolarHBondContact O-N 3.33Å; H124-H127 PolarHBondContact O-N 2.95Å; H127-N129 VanDerWaalsContact C-N 3.29Å; H127-D130 PolarHBondContact O-N 2.75Å; H127-I131 PolarHBondContact CD2-O 2.89Å; H127-I131 PolarHBondContact N-O 3.22Å; H127-K190 HydrophobicContact CB-CD 4.02Å; H127-K190 PolarHBondContact CE1-O 3.21Å; H127-K190 PolarHBondContact NE2-O 3.37Å; H127-K190 WeakPolarHBondContact O-CE 3.26Å; H127-K190 PolarHBondContact O-NZ 2.96Å; H127-D193 IonicContact CD2-OD2 3.87Å; H127-D193 IonicContact CE1-OD2 3.65Å; H127-D193 IonicContact NE2-OD2 3.49Å; H127-D193 PolarHBondContact NE2-OD2 3.23Å
128K96.1Very high96.1Very high146 Ų14624.8 Ų24.864%0.63511%0.112SC*.Hα-helixtrans-73.6-20.4173.6-174.1169.9-178.4173.10113.1H124 W125 C126H124-K128 VanDerWaalsContact O-CB 3.28Å; H124-K128 WeakPolarHBondContact O-CB 3.23Å; H124-K128 PolarHBondContact O-N 2.83Å; W125-K128 PolarHBondContact O-N 2.89Å; C126-K128 VanDerWaalsContact C-N 3.29Å; C126-K128 PolarHBondContact O-N 3.25Å
129N94.4Very high95.9Very high45 Ų4525.2 Ų25.224%0.24112%0.115CC..THydrogen-bonded Turntrans-99.917.1172-68.9-88.3000112T66 L67 W125 C126 H127 I131T66-N129 HydrophobicContact CG2-CB 4.39Å; L67-N129 HydrophobicContact CD2-CB 3.87Å; W125-N129 PolarHBondContact O-N 3.43Å; W125-N129 PolarHBondContact O-ND2 2.89Å; C126-N129 CarbonylContact O-C 3.58Å; C126-N129 WeakPolarHBondContact O-CA 3.43Å; C126-N129 PolarHBondContact O-N 3.25Å; H127-N129 VanDerWaalsContact C-N 3.29Å; N129-I131 HydrophobicContact CB-CD1 4.34Å; N129-I131 PolarHBondContact O-N 2.95Å; N129-I131 VanDerWaalsContact O-N 3.11Å
130D92.9Very high95.7Very high69 Ų6925.5 Ų25.537%0.36912%0.116SC..THydrogen-bonded Turntrans5422.9-176.1-70.8-51.1000115.9C126 H127 N159 L160 K190C126-D130 PolarHBondContact O-N 2.87Å; H127-D130 PolarHBondContact O-N 2.75Å; D130-N159 CarbonylContact O-C 3.6Å; D130-N159 WeakPolarHBondContact O-CA 3.48Å; D130-L160 PolarHBondContact O-N 3.38Å; D130-K190 VanDerWaalsContact OD1-CE 3.29Å; D130-K190 WeakPolarHBondContact OD1-CE 3.19Å; D130-K190 IonicContact OD1-NZ 3.25Å; D130-K190 PolarHBondContact OD1-NZ 3.34Å
131I92.9Very high95.6Very high4 Ų425.5 Ų25.52%0.02112%0.116CC..EExtended strand (participates in β ladder)trans-97.4126.7175.3-66.5160.5000109.5M63 L67 C126 H127 N129 F154 A157 R158 N159M63-I131 HydrophobicContact CB-CD1 4.03Å; M63-I131 HydrophobicContact CE-CG1 4.41Å; M63-I131 HydrophobicContact CG-CD1 3.78Å; M63-I131 HydrophobicContact CG-CG1 4.23Å; M63-I131 HydrophobicContact SD-CG1 4.45Å; M63-I131 HydrophobicContact SD-CG2 3.98Å; L67-I131 HydrophobicContact CD1-CB 4.43Å; L67-I131 HydrophobicContact CD1-CD1 3.78Å; L67-I131 HydrophobicContact CD1-CG2 4.15Å; L67-I131 HydrophobicContact CD2-CD1 4.07Å; L67-I131 HydrophobicContact CG-CD1 3.9Å; C126-I131 CarbonylContact C-O 3.6Å; C126-I131 WeakPolarHBondContact CB-O 3.46Å; C126-I131 PolarHBondContact O-N 3.05Å; H127-I131 PolarHBondContact CD2-O 2.89Å; H127-I131 PolarHBondContact N-O 3.22Å; N129-I131 HydrophobicContact CB-CD1 4.34Å; N129-I131 PolarHBondContact O-N 2.95Å; N129-I131 VanDerWaalsContact O-N 3.11Å; I131-F154 HydrophobicContact CG2-CD1 4.41Å; I131-A157 HydrophobicContact CG2-CB 4.04Å; I131-R158 WeakPolarHBondContact CA-O 3.44Å; I131-N159 HydrophobicContact CG1-CB 4.44Å
132V93.4Very high95.6Very high0 Ų024.8 Ų24.80%011%0.114CC..EExtended strand (participates in β ladder)trans-107.9133.3173.5-177.80000108.4R134 A157 R158 L160 K190 V192 D193V132-R134 HydrophobicContact CB-CG 4.42Å; V132-R134 HydrophobicContact CG1-CG 3.85Å; V132-A157 CarbonylContact O-C 3.46Å; V132-A157 WeakPolarHBondContact O-CA 3.29Å; V132-A157 WeakPolarHBondContact O-CB 3.15Å; V132-R158 PolarHBondContact N-O 2.95Å; V132-R158 PolarHBondContact O-N 3.49Å; V132-L160 HydrophobicContact CG2-CD1 3.75Å; V132-L160 HydrophobicContact CG2-CD2 3.92Å; V132-L160 HydrophobicContact CG2-CG 3.85Å; V132-K190 HydrophobicContact CG2-CG 4.04Å; V132-V192 HydrophobicContact CG1-CG2 3.41Å; V132-V192 VanDerWaalsContact CG1-CG2 3.41Å; V132-D193 WeakPolarHBondContact CA-OD2 3.47Å; V132-D193 VanDerWaalsContact CG1-OD2 3.29Å; V132-D193 WeakPolarHBondContact CG1-OD2 3.47Å
133H93.8Very high95.6Very high1 Ų124.8 Ų24.81%0.00511%0.114CC..  trans-80.2-43.8-167.6-164.3-94.3000113.7D135 I136 C152 F154 F156 A157 D193H133-D135 PolarHBondContact CE1-O 3.49Å; H133-D135 PolarHBondContact ND1-O 3.03Å; H133-D135 PolarHBondContact O-N 3.13Å; H133-I136 HydrophobicContact CB-CD1 3.69Å; H133-I136 HydrophobicContact CB-CG1 3.91Å; H133-I136 WeakPolarHBondContact ND1-CD1 3.46Å; H133-C152 PolarHBondContact CE1-O 2.97Å; H133-C152 VanDerWaalsContact CE1-O 3.25Å; H133-C152 PolarHBondContact NE2-O 2.67Å; H133-F154 AromaticContact CD2-CD1 3.61Å; H133-F154 AromaticContact CD2-CE1 3.51Å; H133-F154 AromaticContact CD2-CZ 3.82Å; H133-F154 AromaticContact NE2-CD1 3.98Å; H133-F154 AromaticContact NE2-CD2 3.92Å; H133-F154 AromaticContact NE2-CG 3.88Å; H133-F156 CarbonylContact O-C 3.54Å; H133-A157 WeakPolarHBondContact O-CA 3.45Å; H133-A157 PolarHBondContact O-N 3.32Å; H133-D193 PolarHBondContact N-OD1 3.06Å; H133-D193 VanDerWaalsContact N-OD1 3.15Å; H133-D193 PolarHBondContact N-OD2 3.08Å
134R92.3Very high95.5Very high25 Ų2525.6 Ų25.69%0.09412%0.12CC..SBendtrans67.8-14.7173.9-51.8168.868.7-116.83116.8V132 F156 Y188 V192 D193V132-R134 HydrophobicContact CB-CG 4.42Å; V132-R134 HydrophobicContact CG1-CG 3.85Å; R134-F156 HydrophobicContact CB-CB 4.48Å; R134-F156 PolarHBondContact NH1-O 2.89Å; R134-Y188 PolarHBondContact NH2-OH 3.45Å; R134-V192 HydrophobicContact CG-CG2 4.19Å; R134-D193 PolarHBondContact N-OD1 2.92Å
135D92.1Very high95.3Very high7 Ų729.1 Ų29.14%0.03714%0.136CC..  trans-126.459.9170.9-164.444.2000110.9H133 K137 N140 F156H133-D135 PolarHBondContact CE1-O 3.49Å; H133-D135 PolarHBondContact ND1-O 3.03Å; H133-D135 PolarHBondContact O-N 3.13Å; D135-K137 WeakPolarHBondContact OD2-CE 3.35Å; D135-K137 IonicContact OD2-NZ 3.92Å; D135-K137 PolarHBondContact OD2-NZ 2.82Å; D135-N140 PolarHBondContact O-ND2 3.46Å; D135-N140 PolarHBondContact OD2-ND2 2.83Å; D135-F156 HydrophobicContact CB-CB 3.81Å; D135-F156 HydrophobicContact CB-CD1 4.15Å; D135-F156 HydrophobicContact CB-CD2 3.55Å; D135-F156 HydrophobicContact CB-CE2 4.09Å; D135-F156 HydrophobicContact CB-CG 3.59Å; D135-F156 WeakPolarHBondContact OD2-CE2 3.49Å
136I96.9Very high95.2Very high2 Ų230.9 Ų30.91%0.0115%0.152CC..  trans-85.8116.6173.3-63-68.1000108.6L119 I123 H133 L151 Y177 D193 I200L119-I136 HydrophobicContact CD1-CG2 4.49Å; I123-I136 HydrophobicContact CD1-CD1 4.17Å; I123-I136 HydrophobicContact CD1-CG1 4.37Å; I123-I136 HydrophobicContact CG1-CD1 4.24Å; H133-I136 HydrophobicContact CB-CD1 3.69Å; H133-I136 HydrophobicContact CB-CG1 3.91Å; H133-I136 WeakPolarHBondContact ND1-CD1 3.46Å; I136-L151 HydrophobicContact CD1-CD1 3.48Å; I136-L151 VanDerWaalsContact CD1-CD1 3.48Å; I136-L151 HydrophobicContact CD1-CD2 3.87Å; I136-L151 HydrophobicContact CD1-CG 4.35Å; I136-Y177 VanDerWaalsContact O-CB 3.24Å; I136-Y177 WeakPolarHBondContact O-CB 3.49Å; I136-D193 HydrophobicContact CG1-CB 4.26Å; I136-I200 HydrophobicContact CG2-CD1 3.75Å
137K95.9Very high95.2Very high10 Ų1033.1 Ų33.14%0.04316%0.163CC..SBendtrans-160.2158.5-176.556.7176.7179.4175.50110.2D135 E139 N140 Y177D135-K137 WeakPolarHBondContact OD2-CE 3.35Å; D135-K137 IonicContact OD2-NZ 3.92Å; D135-K137 PolarHBondContact OD2-NZ 2.82Å; K137-E139 HydrophobicContact CD-CB 4.11Å; K137-E139 HydrophobicContact CD-CG 4.46Å; K137-E139 WeakPolarHBondContact CD-OE2 3.3Å; K137-E139 WeakPolarHBondContact CE-OE2 3.47Å; K137-E139 HydrophobicContact CG-CB 4.2Å; K137-E139 IonicContact NZ-OE2 2.78Å; K137-E139 PolarHBondContact NZ-OE2 2.86Å; K137-E139 PolarHBondContact O-N 3.27Å; K137-E139 VanDerWaalsContact O-N 3.14Å; K137-N140 WeakPolarHBondContact CE-ND2 3.41Å; K137-N140 WeakPolarHBondContact CE-OD1 3.4Å; K137-N140 HydrophobicContact CG-CB 4.13Å; K137-N140 PolarHBondContact O-N 2.81Å; K137-Y177 HydrophobicContact CB-CD2 3.41Å; K137-Y177 VanDerWaalsContact CB-CD2 3.41Å; K137-Y177 HydrophobicContact CB-CE2 3.63Å; K137-Y177 HydrophobicContact CB-CG 4Å
138P97.1Very high95.2Very high1 Ų134.5 Ų34.51%0.00617%0.172CC..G310 helixtrans-56-31-177.8-28.736.9000115.6M96 L97 L100 N140 L141 Y177 I200M96-P138 HydrophobicContact CB-CB 3.99Å; M96-P138 WeakPolarHBondContact CB-O 3.38Å; M96-P138 HydrophobicContact CG-CB 4.11Å; M96-P138 PolarHBondContact N-O 2.87Å; L97-P138 HydrophobicContact CB-CB 4.07Å; L97-P138 PolarHBondContact N-O 2.78Å; L100-P138 HydrophobicContact CD1-CB 4.05Å; L100-P138 HydrophobicContact CD1-CG 4.03Å; P138-N140 VanDerWaalsContact C-N 3.26Å; P138-N140 PolarHBondContact O-N 3.17Å; P138-L141 PolarHBondContact O-N 3.1Å; P138-Y177 VanDerWaalsContact CD-CE1 3.5Å; P138-Y177 WeakPolarHBondContact CD-OH 3.18Å; P138-Y177 HydrophobicContact CG-CE1 4.08Å; P138-I200 HydrophobicContact CG-CG1 4.39Å
139E93.4Very high95.3Very high31 Ų3127.6 Ų27.615%0.14514%0.142CC..G310 helixtrans-57.9-36.4172.8-65.4166.4-164.100112.7L97 K137L97-E139 HydrophobicContact CB-CG 4.43Å; L97-E139 HydrophobicContact CD2-CG 3.75Å; K137-E139 HydrophobicContact CD-CB 4.11Å; K137-E139 HydrophobicContact CD-CG 4.46Å; K137-E139 WeakPolarHBondContact CD-OE2 3.3Å; K137-E139 WeakPolarHBondContact CE-OE2 3.47Å; K137-E139 HydrophobicContact CG-CB 4.2Å; K137-E139 IonicContact NZ-OE2 2.78Å; K137-E139 PolarHBondContact NZ-OE2 2.86Å; K137-E139 PolarHBondContact O-N 3.27Å; K137-E139 VanDerWaalsContact O-N 3.14Å
140N95.3Very high95.5Very high5 Ų526.7 Ų26.73%0.02714%0.136CC..G310 helixtrans-95.76.9-174.2-67.51.4000113D135 K137 P138 C152D135-N140 PolarHBondContact O-ND2 3.46Å; D135-N140 PolarHBondContact OD2-ND2 2.83Å; K137-N140 WeakPolarHBondContact CE-ND2 3.41Å; K137-N140 WeakPolarHBondContact CE-OD1 3.4Å; K137-N140 HydrophobicContact CG-CB 4.13Å; K137-N140 PolarHBondContact O-N 2.81Å; P138-N140 VanDerWaalsContact C-N 3.26Å; P138-N140 PolarHBondContact O-N 3.17Å; N140-C152 PolarHBondContact O-N 3.46Å; N140-C152 PolarHBondContact O-SG 3.44Å; N140-C152 VanDerWaalsContact O-SG 3.33Å
141L98.1Very high95.8Very high0 Ų023.4 Ų23.40%012%0.118CC..EExtended strand (participates in β ladder)trans-111.497.5178.5-61.4-174.5000109.5N95 M96 L119 P138 L151 I200N95-L141 CarbonylContact C-O 3.58Å; N95-L141 VanDerWaalsContact CA-O 3.3Å; N95-L141 WeakPolarHBondContact CA-O 3.3Å; M96-L141 HydrophobicContact CB-CB 3.97Å; M96-L141 HydrophobicContact CE-CB 4.25Å; M96-L141 HydrophobicContact CE-CD1 3.83Å; M96-L141 PolarHBondContact N-O 3.11Å; M96-L141 HydrophobicContact SD-CB 4.48Å; M96-L141 HydrophobicContact SD-CD1 3.79Å; L119-L141 HydrophobicContact CD1-CD1 4.04Å; L119-L141 HydrophobicContact CD1-CD2 3.55Å; L119-L141 HydrophobicContact CD1-CG 4.47Å; L119-L141 HydrophobicContact CD2-CD1 3.83Å; P138-L141 PolarHBondContact O-N 3.1Å; L141-L151 HydrophobicContact CD2-CD1 3.76Å; L141-I200 HydrophobicContact CD1-CD1 3.78Å; L141-I200 HydrophobicContact CD1-CG2 4.33Å
142L98.1Very high95.8Very high31 Ų3124.1 Ų24.116%0.16212%0.124CC..EExtended strand (participates in β ladder)trans-79.8144.4179.5-50-179.7000110.2V73 V92 K94 N95 L149 K150 C152V73-L142 HydrophobicContact CB-CD1 4.48Å; V73-L142 HydrophobicContact CG2-CD1 4.16Å; V92-L142 HydrophobicContact CB-CB 3.81Å; V92-L142 HydrophobicContact CB-CD1 4.08Å; V92-L142 HydrophobicContact CG1-CB 3.72Å; V92-L142 HydrophobicContact CG2-CB 4.11Å; V92-L142 HydrophobicContact CG2-CD1 3.99Å; K94-L142 WeakPolarHBondContact O-CA 3.37Å; N95-L142 HydrophobicContact CB-CD2 4.13Å; L142-L149 CarbonylContact O-C 3.37Å; L142-L149 WeakPolarHBondContact O-CA 3.4Å; L142-K150 HydrophobicContact CB-CB 4.3Å; L142-K150 WeakPolarHBondContact CB-O 3.47Å; L142-K150 PolarHBondContact N-O 2.85Å; L142-K150 PolarHBondContact O-N 3.06Å; L142-C152 HydrophobicContact CD1-CB 3.94Å; L142-C152 HydrophobicContact CG-CB 4.23Å
143I97.9Very high95.5Very high0 Ų025.2 Ų25.20%013%0.13CC..EExtended strand (participates in β ladder)trans-132.7126.3-178.2-56.8175.3000109V92 E93 K94 M96 L99 Y115V92-I143 VanDerWaalsContact CG1-O 3.32Å; V92-I143 WeakPolarHBondContact CG1-O 3.36Å; E93-I143 WeakPolarHBondContact CG-O 3.42Å; K94-I143 HydrophobicContact CG-CB 4.3Å; K94-I143 WeakPolarHBondContact CG-O 3.47Å; K94-I143 PolarHBondContact O-N 2.69Å; M96-I143 HydrophobicContact CB-CD1 3.98Å; M96-I143 HydrophobicContact CE-CD1 4.15Å; M96-I143 HydrophobicContact CG-CD1 4.35Å; L99-I143 HydrophobicContact CD2-CD1 3.66Å; Y115-I143 HydrophobicContact CD1-CD1 4.47Å; Y115-I143 HydrophobicContact CE1-CD1 4.14Å; Y115-I143 HydrophobicContact CE1-CG2 3.98Å; Y115-I143 HydrophobicContact CE2-CD1 4.32Å
144S96.5Very high95.2Very high19 Ų1925.2 Ų25.213%0.13313%0.13CC..  trans-83.3169.4178.264.50000113.2N146 D147 V148S144-N146 PolarHBondContact O-N 2.84Å; S144-N146 VanDerWaalsContact O-N 3.13Å; S144-D147 PolarHBondContact O-N 2.69Å; S144-V148 PolarHBondContact N-O 2.7Å; S144-V148 WeakPolarHBondContact OG-CB 3.34Å; S144-V148 PolarHBondContact OG-N 3.19Å; S144-V148 VanDerWaalsContact OG-N 3.13Å; S144-V148 PolarHBondContact OG-O 2.95Å; S144-V148 VanDerWaalsContact OG-O 3.07Å
145H93.8Very high94.7Very high133 Ų13324.3 Ų24.362%0.61613%0.128SC*.THydrogen-bonded Turntrans-56-26.1172.654.2-87.2000113.6E93 D147E93-H145 WeakPolarHBondContact OE1-CA 3.33Å; E93-H145 PolarHBondContact OE1-N 2.81Å; E93-H145 WeakPolarHBondContact OE2-CB 3.18Å; E93-H145 PolarHBondContact OE2-N 2.99Å; H145-D147 VanDerWaalsContact C-N 3.32Å
146N95.4Very high94.2Very high113 Ų11324.5 Ų24.560%0.60413%0.128SC*.THydrogen-bonded Turntrans-92.318.5178-61.8-40.5000113.2S144 V148S144-N146 PolarHBondContact O-N 2.84Å; S144-N146 VanDerWaalsContact O-N 3.13Å; N146-V148 HydrophobicContact CB-CG2 4.32Å; N146-V148 PolarHBondContact O-N 3.28Å
147D96Very high93.6Very high48 Ų4824.4 Ų24.426%0.25713%0.128SC..  trans56.914.7-175.1-75.5-46.8000115.3K111 Y115 Q118 S144 H145 L149K111-D147 WeakPolarHBondContact CE-OD2 3.32Å; K111-D147 IonicContact NZ-OD1 2.63Å; K111-D147 PolarHBondContact NZ-OD1 3.4Å; K111-D147 IonicContact NZ-OD2 2.65Å; K111-D147 PolarHBondContact NZ-OD2 2.86Å; Y115-D147 HydrophobicContact CE1-CB 4.14Å; Y115-D147 PolarHBondContact OH-OD1 3.1Å; Q118-D147 PolarHBondContact NE2-O 3.42Å; S144-D147 PolarHBondContact O-N 2.69Å; H145-D147 VanDerWaalsContact C-N 3.32Å; D147-L149 PolarHBondContact O-N 2.94Å
148V97.6Very high93.1Very high35 Ų3525 Ų2521%0.21213%0.13CC..  trans-73.8121.9170.8-173.70000108.9E70 Q118 S144 N146E70-V148 HydrophobicContact CG-CG1 4.2Å; Q118-V148 VanDerWaalsContact OE1-CA 3.31Å; S144-V148 PolarHBondContact N-O 2.7Å; S144-V148 WeakPolarHBondContact OG-CB 3.34Å; S144-V148 PolarHBondContact OG-N 3.19Å; S144-V148 VanDerWaalsContact OG-N 3.13Å; S144-V148 PolarHBondContact OG-O 2.95Å; S144-V148 VanDerWaalsContact OG-O 3.07Å; N146-V148 HydrophobicContact CB-CG2 4.32Å; N146-V148 PolarHBondContact O-N 3.28Å
149L98.4Very high92.5Very high0 Ų026.5 Ų26.50%014%0.138CC..EExtended strand (participates in β ladder)trans-90138.2179.1177.4153000110.8N71 M96 Y115 Q118 L119 L142 D147N71-L149 VanDerWaalsContact CA-O 3.3Å; N71-L149 WeakPolarHBondContact CA-O 3.4Å; N71-L149 WeakPolarHBondContact CB-O 3.43Å; N71-L149 PolarHBondContact ND2-O 3.37Å; M96-L149 HydrophobicContact CE-CD1 3.58Å; Y115-L149 HydrophobicContact CD1-CD1 4.44Å; Y115-L149 HydrophobicContact CG-CD1 4.49Å; Q118-L149 HydrophobicContact CB-CB 3.98Å; Q118-L149 HydrophobicContact CB-CD2 4.41Å; L119-L149 HydrophobicContact CB-CD1 4.44Å; L119-L149 HydrophobicContact CB-CD2 4.26Å; L142-L149 CarbonylContact O-C 3.37Å; L142-L149 WeakPolarHBondContact O-CA 3.4Å; D147-L149 PolarHBondContact O-N 2.94Å
150K98.3Very high92.1Very high26 Ų2627.8 Ų27.811%0.11315%0.145CC..EExtended strand (participates in β ladder)trans-133.7124.7-179.4-77168.9170.3-69.50111.6E70 N71 I72 E90 V92 L142E70-K150 WeakPolarHBondContact O-CE 3.47Å; E70-K150 WeakPolarHBondContact O-CG 3.42Å; E70-K150 PolarHBondContact O-NZ 3.3Å; N71-K150 CarbonylContact O-C 3.6Å; N71-K150 WeakPolarHBondContact O-CA 3.49Å; I72-K150 PolarHBondContact O-NZ 3.33Å; E90-K150 VanDerWaalsContact CD-CE 3.5Å; E90-K150 VanDerWaalsContact CD-NZ 3.31Å; E90-K150 WeakPolarHBondContact OE1-CD 3.12Å; E90-K150 VanDerWaalsContact OE1-CE 3.27Å; E90-K150 WeakPolarHBondContact OE1-CE 3.43Å; E90-K150 IonicContact OE1-NZ 2.67Å; E90-K150 PolarHBondContact OE1-NZ 3.41Å; E90-K150 WeakPolarHBondContact OE2-CE 3.15Å; E90-K150 IonicContact OE2-NZ 2.7Å; E90-K150 PolarHBondContact OE2-NZ 3.02Å; V92-K150 HydrophobicContact CG2-CD 3.8Å; L142-K150 HydrophobicContact CB-CB 4.3Å; L142-K150 WeakPolarHBondContact CB-O 3.47Å; L142-K150 PolarHBondContact N-O 2.85Å; L142-K150 PolarHBondContact O-N 3.06Å
151L97.8Very high91.3Very high0 Ų032.3 Ų32.30%018%0.178CC..EExtended strand (participates in β ladder)trans-79.6137.7175.7175.959.9000111.7N71 I72 V73 A122 I136 L141 F154N71-L151 PolarHBondContact O-N 2.83Å; I72-L151 HydrophobicContact CD1-CB 4.27Å; I72-L151 HydrophobicContact CD1-CD2 4.42Å; V73-L151 PolarHBondContact N-O 3.44Å; A122-L151 HydrophobicContact CB-CB 4.21Å; A122-L151 HydrophobicContact CB-CD2 4.49Å; I136-L151 HydrophobicContact CD1-CD1 3.48Å; I136-L151 VanDerWaalsContact CD1-CD1 3.48Å; I136-L151 HydrophobicContact CD1-CD2 3.87Å; I136-L151 HydrophobicContact CD1-CG 4.35Å; L141-L151 HydrophobicContact CD2-CD1 3.76Å; L151-F154 HydrophobicContact CD2-CZ 4.05Å; L151-F154 HydrophobicContact CG-CE2 4.32Å; L151-F154 HydrophobicContact CG-CZ 4.14Å
152C93.8Very high89.9Confident20 Ų2036.7 Ų36.714%0.13520%0.198CC..  trans-138.4176.8178.4750000114.2V73 H133 N140 L142V73-C152 HydrophobicContact CB-CB 4.11Å; V73-C152 HydrophobicContact CG1-CB 3.61Å; H133-C152 PolarHBondContact CE1-O 2.97Å; H133-C152 VanDerWaalsContact CE1-O 3.25Å; H133-C152 PolarHBondContact NE2-O 2.67Å; N140-C152 PolarHBondContact O-N 3.46Å; N140-C152 PolarHBondContact O-SG 3.44Å; N140-C152 VanDerWaalsContact O-SG 3.33Å; L142-C152 HydrophobicContact CD1-CB 3.94Å; L142-C152 HydrophobicContact CG-CB 4.23Å
153D87.6Confident87.9Confident23 Ų2337.2 Ų37.212%0.12321%0.211CC..  trans6263.8179.7-153.519000117.7K42 G155K42-D153 IonicContact NZ-OD1 2.84Å; K42-D153 PolarHBondContact NZ-OD1 3.48Å; D153-G155 PolarHBondContact O-N 2.82Å
154F87.4Confident85.7Confident1 Ų143 Ų430%0.00424%0.242CC..G310 helixtrans-71.911.4-179.9-73.7-99.7000115.5E60 L64 L67 I72 I131 H133 L151 F156 A157E60-F154 HydrophobicContact CG-CB 4.07Å; L64-F154 HydrophobicContact CD2-CD2 3.68Å; L64-F154 HydrophobicContact CD2-CE2 4.15Å; L64-F154 HydrophobicContact CD2-CG 4.39Å; L64-F154 HydrophobicContact CG-CD2 4.44Å; L67-F154 HydrophobicContact CD1-CD1 3.86Å; L67-F154 HydrophobicContact CD1-CE1 3.24Å; L67-F154 HydrophobicContact CD1-CZ 3.82Å; I72-F154 HydrophobicContact CD1-CZ 4.3Å; I72-F154 HydrophobicContact CG2-CE2 3.88Å; I72-F154 HydrophobicContact CG2-CZ 3.97Å; I131-F154 HydrophobicContact CG2-CD1 4.41Å; H133-F154 AromaticContact CD2-CD1 3.61Å; H133-F154 AromaticContact CD2-CE1 3.51Å; H133-F154 AromaticContact CD2-CZ 3.82Å; H133-F154 AromaticContact NE2-CD1 3.98Å; H133-F154 AromaticContact NE2-CD2 3.92Å; H133-F154 AromaticContact NE2-CG 3.88Å; L151-F154 HydrophobicContact CD2-CZ 4.05Å; L151-F154 HydrophobicContact CG-CE2 4.32Å; L151-F154 HydrophobicContact CG-CZ 4.14Å; F154-F156 PolarHBondContact O-N 3.37Å; F154-A157 HydrophobicContact CB-CB 4.17Å; F154-A157 HydrophobicContact CD1-CB 3.92Å; F154-A157 VanDerWaalsContact O-CB 3.27Å; F154-A157 WeakPolarHBondContact O-CB 3.24Å; F154-A157 PolarHBondContact O-N 2.92Å
155G81.3Confident83.4Confident6 Ų649.4 Ų49.46%0.06228%0.275CS..G310 helixtrans-60.9-31.2-178.600000114T56 D153 R158T56-G155 WeakPolarHBondContact CG2-O 3.32Å; D153-G155 PolarHBondContact O-N 2.82Å; G155-R158 PolarHBondContact O-NH1 3.28Å
156F81.5Confident81.2Confident10 Ų1044.5 Ų44.54%0.04426%0.257CS..G310 helixtrans-82.6-15.7176.7-64.7-102.2000113.5Y24 H133 R134 D135 F154 R158 Y171Y24-F156 AromaticContact CE2-CE2 3.76Å; Y24-F156 HydrophobicContact CE2-CE2 3.76Å; Y24-F156 HydrophobicContact CE2-CZ 4.03Å; Y24-F156 WeakPolarHBondContact OH-CE2 3.37Å; Y24-F156 WeakPolarHBondContact OH-CZ 3.38Å; H133-F156 CarbonylContact O-C 3.54Å; R134-F156 HydrophobicContact CB-CB 4.48Å; R134-F156 PolarHBondContact NH1-O 2.89Å; D135-F156 HydrophobicContact CB-CB 3.81Å; D135-F156 HydrophobicContact CB-CD1 4.15Å; D135-F156 HydrophobicContact CB-CD2 3.55Å; D135-F156 HydrophobicContact CB-CE2 4.09Å; D135-F156 HydrophobicContact CB-CG 3.59Å; D135-F156 WeakPolarHBondContact OD2-CE2 3.49Å; F154-F156 PolarHBondContact O-N 3.37Å; F156-R158 PolarHBondContact O-NH1 2.93Å; F156-Y171 HydrophobicContact CD1-CD1 4.34Å; F156-Y171 AromaticContact CD1-CD2 3.79Å; F156-Y171 HydrophobicContact CD1-CD2 3.79Å; F156-Y171 AromaticContact CD1-CE1 4Å; F156-Y171 HydrophobicContact CD1-CE1 4Å; F156-Y171 AromaticContact CD1-CE2 3.37Å; F156-Y171 HydrophobicContact CD1-CE2 3.37Å; F156-Y171 HydrophobicContact CD1-CG 4.24Å; F156-Y171 AromaticContact CD1-CZ 3.48Å; F156-Y171 VanDerWaalsContact CD1-CZ 3.48Å; F156-Y171 AromaticContact CE1-CD1 3.5Å; F156-Y171 HydrophobicContact CE1-CD1 3.5Å; F156-Y171 VanDerWaalsContact CE1-CD1 3.5Å; F156-Y171 AromaticContact CE1-CD2 3.57Å; F156-Y171 HydrophobicContact CE1-CD2 3.57Å; F156-Y171 AromaticContact CE1-CE1 3.48Å; F156-Y171 HydrophobicContact CE1-CE1 3.48Å; F156-Y171 VanDerWaalsContact CE1-CE1 3.48Å; F156-Y171 AromaticContact CE1-CE2 3.53Å; F156-Y171 HydrophobicContact CE1-CE2 3.53Å; F156-Y171 AromaticContact CE1-CG 3.55Å; F156-Y171 HydrophobicContact CE1-CG 3.55Å; F156-Y171 AromaticContact CE1-CZ 3.47Å; F156-Y171 VanDerWaalsContact CE1-CZ 3.47Å; F156-Y171 HydrophobicContact CZ-CD1 4.15Å; F156-Y171 HydrophobicContact CZ-CE1 4.12Å
157A84.9Confident78.8Confident0 Ų045.8 Ų45.80%026%0.264CS..  trans-69.2152-169.500000112.5M63 I131 V132 H133 F154M63-A157 HydrophobicContact SD-CB 3.68Å; I131-A157 HydrophobicContact CG2-CB 4.04Å; V132-A157 CarbonylContact O-C 3.46Å; V132-A157 WeakPolarHBondContact O-CA 3.29Å; V132-A157 WeakPolarHBondContact O-CB 3.15Å; H133-A157 WeakPolarHBondContact O-CA 3.45Å; H133-A157 PolarHBondContact O-N 3.32Å; F154-A157 HydrophobicContact CB-CB 4.17Å; F154-A157 HydrophobicContact CD1-CB 3.92Å; F154-A157 VanDerWaalsContact O-CB 3.27Å; F154-A157 WeakPolarHBondContact O-CB 3.24Å; F154-A157 PolarHBondContact O-N 2.92Å
158R85.5Confident76.6Confident22 Ų2249.8 Ų49.88%0.08328%0.276CS..EExtended strand (participates in β ladder)trans-137.5141.4-176.9-59.8-64.6176.5-1035.1109.6R59 I131 V132 G155 F156R59-R158 VanDerWaalsContact NH1-CZ 3.33Å; I131-R158 WeakPolarHBondContact CA-O 3.44Å; V132-R158 PolarHBondContact N-O 2.95Å; V132-R158 PolarHBondContact O-N 3.49Å; G155-R158 PolarHBondContact O-NH1 3.28Å; F156-R158 PolarHBondContact O-NH1 2.93Å
159N85.1Confident74.3Confident33 Ų3351.2 Ų51.218%0.17629%0.286CS..EExtended strand (participates in β ladder)trans-89.8127.9169.6-173.2-51.9000108.7M63 D130 I131 S161 E162M63-N159 HydrophobicContact CE-CB 4.17Å; D130-N159 CarbonylContact O-C 3.6Å; D130-N159 WeakPolarHBondContact O-CA 3.48Å; I131-N159 HydrophobicContact CG1-CB 4.44Å; N159-S161 PolarHBondContact O-N 3.29Å; N159-S161 WeakPolarHBondContact OD1-CB 3.32Å; N159-S161 PolarHBondContact OD1-N 2.91Å; N159-S161 PolarHBondContact OD1-OG 2.95Å; N159-E162 HydrophobicContact CB-CG 4.03Å; N159-E162 PolarHBondContact O-N 3Å; N159-E162 VanDerWaalsContact O-N 3.14Å
160L83.3Confident71.9Confident58 Ų5858.1 Ų58.130%0.30432%0.318SS..G310 helixtrans-67.1-22.5-175.6-63.9170.4000113.3D130 V132 E162 K190D130-L160 PolarHBondContact O-N 3.38Å; V132-L160 HydrophobicContact CG2-CD1 3.75Å; V132-L160 HydrophobicContact CG2-CD2 3.92Å; V132-L160 HydrophobicContact CG2-CG 3.85Å; L160-E162 VanDerWaalsContact C-N 3.29Å; L160-E162 PolarHBondContact O-N 3.36Å; L160-K190 HydrophobicContact CD1-CD 4.27Å; L160-K190 VanDerWaalsContact CD1-CE 3.49Å; L160-K190 HydrophobicContact CD1-CG 3.75Å
161S78.3Confident69.8Low100 Ų10059.2 Ų59.270%0.69932%0.322SS*.G310 helixtrans-75.5-13.2174.969.50000114.1N159 G163N159-S161 PolarHBondContact O-N 3.29Å; N159-S161 WeakPolarHBondContact OD1-CB 3.32Å; N159-S161 PolarHBondContact OD1-N 2.91Å; N159-S161 PolarHBondContact OD1-OG 2.95Å; S161-G163 VanDerWaalsContact C-N 3.3Å; S161-G163 PolarHBondContact O-N 3.27Å
162E69.4Low67.6Low92 Ų9265.1 Ų65.143%0.4336%0.357SS..G310 helixtrans-85.5-1-178.5-64.9177.6158.400113.1K62 N159 L160K62-E162 IonicContact NZ-OE1 3.6Å; K62-E162 PolarHBondContact NZ-OE1 2.72Å; N159-E162 HydrophobicContact CB-CG 4.03Å; N159-E162 PolarHBondContact O-N 3Å; N159-E162 VanDerWaalsContact O-N 3.14Å; L160-E162 VanDerWaalsContact C-N 3.29Å; L160-E162 PolarHBondContact O-N 3.36Å
163G55.7Low66.2Low43 Ų4365.3 Ų65.344%0.44336%0.36SS..  trans89.7155.8167.900000116.1S161 N165S161-G163 VanDerWaalsContact C-N 3.3Å; S161-G163 PolarHBondContact O-N 3.27Å; G163-N165 PolarHBondContact O-N 3.39Å; G163-N165 VanDerWaalsContact O-N 3.1Å
164N53.1Low65.8Low121 Ų12165.3 Ų65.365%0.64736%0.361SS*.THydrogen-bonded Turntrans-70.7-3.9-171.1-7815.5000115.7A166N164-A166 PolarHBondContact O-N 2.91Å
165N47.1Very low66Low154 Ų15468.3 Ų68.382%0.82437%0.372SS*.THydrogen-bonded Turntrans-77.312.2-175.7-67.88.6000113.9G163 N167G163-N165 PolarHBondContact O-N 3.39Å; G163-N165 VanDerWaalsContact O-N 3.1Å; N165-N167 PolarHBondContact O-N 2.73Å
166A48.8Very low66.7Low29 Ų2969.6 Ų69.624%0.2438%0.375CS..  trans-73.488.8175.600000111N164N164-A166 PolarHBondContact O-N 2.91Å
167N45Very low67.4Low140 Ų14069.7 Ų69.775%0.74938%0.376SS*.  trans-34.6138.1178.7-76-24.5000114.1N165 T169N165-N167 PolarHBondContact O-N 2.73Å; N167-T169 VanDerWaalsContact C-N 3.3Å; N167-T169 PolarHBondContact O-N 3.4Å
168Y49.8Very low67.9Low132 Ų13271.1 Ų71.152%0.51838%0.381SS..  trans-68.482.9175.4-52.9-83.4000110.7E170 G185Y168-E170 PolarHBondContact O-N 3.18Å; Y168-E170 VanDerWaalsContact O-N 3.16Å; Y168-G185 WeakPolarHBondContact CE1-O 3.41Å; Y168-G185 VanDerWaalsContact CZ-O 3.27Å; Y168-G185 PolarHBondContact OH-O 3.45Å; Y168-G185 VanDerWaalsContact OH-O 3.07Å
169T49.5Very low68.5Low66 Ų6670 Ų7041%0.40538%0.377SS..  trans-58.8117.3170.633.30000109.7N167 Y171N167-T169 VanDerWaalsContact C-N 3.3Å; N167-T169 PolarHBondContact O-N 3.4Å; T169-Y171 WeakPolarHBondContact O-CD2 3.48Å; T169-Y171 PolarHBondContact O-N 3.09Å; T169-Y171 WeakPolarHBondContact OG1-CE2 3.47Å; T169-Y171 PolarHBondContact OG1-OH 2.81Å
170E47.7Very low69Low145 Ų14568.5 Ų68.568%0.67837%0.368SS*.  trans-71110.5179.7178155.9-121.500110.1Y168 R243Y168-E170 PolarHBondContact O-N 3.18Å; Y168-E170 VanDerWaalsContact O-N 3.16Å; E170-R243 IonicContact OE1-CZ 2.85Å; E170-R243 VanDerWaalsContact OE1-CZ 3.3Å; E170-R243 IonicContact OE1-NE 3.85Å; E170-R243 PolarHBondContact OE1-NE 3.1Å; E170-R243 VanDerWaalsContact OE1-NE 3.11Å; E170-R243 IonicContact OE1-NH2 3.69Å; E170-R243 PolarHBondContact OE1-NH2 3.05Å
171Y53.6Low69.5Low49 Ų4965.9 Ų65.919%0.19236%0.355CS..  trans-107.4108-167.5-77.8-59000113.6Y24 F156 T169 A173 R178Y24-Y171 VanDerWaalsContact OH-CE1 3.3Å; Y24-Y171 WeakPolarHBondContact OH-CE1 3.15Å; F156-Y171 HydrophobicContact CD1-CD1 4.34Å; F156-Y171 AromaticContact CD1-CD2 3.79Å; F156-Y171 HydrophobicContact CD1-CD2 3.79Å; F156-Y171 AromaticContact CD1-CE1 4Å; F156-Y171 HydrophobicContact CD1-CE1 4Å; F156-Y171 AromaticContact CD1-CE2 3.37Å; F156-Y171 HydrophobicContact CD1-CE2 3.37Å; F156-Y171 HydrophobicContact CD1-CG 4.24Å; F156-Y171 AromaticContact CD1-CZ 3.48Å; F156-Y171 VanDerWaalsContact CD1-CZ 3.48Å; F156-Y171 AromaticContact CE1-CD1 3.5Å; F156-Y171 HydrophobicContact CE1-CD1 3.5Å; F156-Y171 VanDerWaalsContact CE1-CD1 3.5Å; F156-Y171 AromaticContact CE1-CD2 3.57Å; F156-Y171 HydrophobicContact CE1-CD2 3.57Å; F156-Y171 AromaticContact CE1-CE1 3.48Å; F156-Y171 HydrophobicContact CE1-CE1 3.48Å; F156-Y171 VanDerWaalsContact CE1-CE1 3.48Å; F156-Y171 AromaticContact CE1-CE2 3.53Å; F156-Y171 HydrophobicContact CE1-CE2 3.53Å; F156-Y171 AromaticContact CE1-CG 3.55Å; F156-Y171 HydrophobicContact CE1-CG 3.55Å; F156-Y171 AromaticContact CE1-CZ 3.47Å; F156-Y171 VanDerWaalsContact CE1-CZ 3.47Å; F156-Y171 HydrophobicContact CZ-CD1 4.15Å; F156-Y171 HydrophobicContact CZ-CE1 4.12Å; T169-Y171 WeakPolarHBondContact O-CD2 3.48Å; T169-Y171 PolarHBondContact O-N 3.09Å; T169-Y171 WeakPolarHBondContact OG1-CE2 3.47Å; T169-Y171 PolarHBondContact OG1-OH 2.81Å; Y171-A173 PolarHBondContact O-N 3.44Å; Y171-R178 PolarHBondContact O-NH2 3.14Å; Y171-R178 VanDerWaalsContact O-NH2 3.11Å
172V51.1Low70.1Confident124 Ų12462.5 Ų62.575%0.75233%0.329SS*.  trans-68.663.8166.7-166.30000110.5M613V172-M613 HydrophobicContact CG1-CE 4.14Å
173A63.9Low71.2Confident23 Ų2358.3 Ų58.319%0.1931%0.309CS..SBendtrans-146.6159.4-176.900000110.7Y171 R175 R178Y171-A173 PolarHBondContact O-N 3.44Å; A173-R175 PolarHBondContact O-N 2.77Å; A173-R178 PolarHBondContact O-NH2 2.87Å
174T79.3Confident72.9Confident23 Ų2356.2 Ų56.214%0.14129%0.288CS..  trans-50.8108.1-174.7-45.90000112.4W176 Y177T174-W176 HydrophobicContact CG2-CB 4.34Å; T174-W176 HydrophobicContact CG2-CD2 3.83Å; T174-W176 HydrophobicContact CG2-CE3 3.98Å; T174-W176 HydrophobicContact CG2-CG 3.98Å; T174-Y177 HydrophobicContact CG2-CD2 4.43Å; T174-Y177 HydrophobicContact CG2-CE2 3.86Å
175R91.4Very high74.5Confident65 Ų6551.2 Ų51.225%0.24527%0.265CS..  trans-84.2-8.4-172.870-178.469.482.1-7.1114.8A173 Y177 R178 L183 G213 E214 S215 Q219A173-R175 PolarHBondContact O-N 2.77Å; R175-Y177 PolarHBondContact O-N 2.66Å; R175-Y177 VanDerWaalsContact O-N 3.1Å; R175-R178 WeakPolarHBondContact O-CB 3.07Å; R175-R178 PolarHBondContact O-N 2.91Å; R175-L183 HydrophobicContact CB-CD2 4.4Å; R175-G213 PolarHBondContact NH1-O 3.25Å; R175-E214 VanDerWaalsContact CZ-O 3.29Å; R175-E214 PolarHBondContact NH1-O 3.46Å; R175-E214 PolarHBondContact NH2-O 3Å; R175-S215 VanDerWaalsContact CD-O 3.27Å; R175-S215 WeakPolarHBondContact CD-O 3.21Å; R175-Q219 HydrophobicContact CG-CB 4.23Å; R175-Q219 HydrophobicContact CG-CG 4.12Å
176W96.3Very high76.4Confident32 Ų3244.4 Ų44.412%0.12123%0.23CC..THydrogen-bonded Turntrans-60.2-25.3-167-57.1-17.3000114.8T174 P209 F211 P212 G213 Q219T174-W176 HydrophobicContact CG2-CB 4.34Å; T174-W176 HydrophobicContact CG2-CD2 3.83Å; T174-W176 HydrophobicContact CG2-CE3 3.98Å; T174-W176 HydrophobicContact CG2-CG 3.98Å; W176-P209 HydrophobicContact CD2-CB 4.49Å; W176-P209 HydrophobicContact CE3-CB 3.69Å; W176-P209 HydrophobicContact CE3-CG 4.05Å; W176-P209 HydrophobicContact CH2-CG 4.49Å; W176-P209 HydrophobicContact CZ3-CB 3.97Å; W176-P209 HydrophobicContact CZ3-CG 3.82Å; W176-F211 WeakPolarHBondContact CA-O 3.39Å; W176-F211 VanDerWaalsContact CB-O 3.32Å; W176-F211 WeakPolarHBondContact CB-O 3.41Å; W176-P212 HydrophobicContact CD2-CB 4.19Å; W176-P212 HydrophobicContact CH2-CB 4.49Å; W176-P212 HydrophobicContact CZ2-CB 4.11Å; W176-P212 VanDerWaalsContact NE1-C 3.28Å; W176-G213 PolarHBondContact NE1-O 3.08Å; W176-Q219 PolarHBondContact O-NE2 2.88Å
177Y97.3Very high78.1Confident13 Ų1347.5 Ų47.55%0.05125%0.247CC..THydrogen-bonded Turntrans-102.32.5-178-41.8-83.2000113.3I136 K137 P138 T174 R175 S196 C199 I200 E203I136-Y177 VanDerWaalsContact O-CB 3.24Å; I136-Y177 WeakPolarHBondContact O-CB 3.49Å; K137-Y177 HydrophobicContact CB-CD2 3.41Å; K137-Y177 VanDerWaalsContact CB-CD2 3.41Å; K137-Y177 HydrophobicContact CB-CE2 3.63Å; K137-Y177 HydrophobicContact CB-CG 4Å; P138-Y177 VanDerWaalsContact CD-CE1 3.5Å; P138-Y177 WeakPolarHBondContact CD-OH 3.18Å; P138-Y177 HydrophobicContact CG-CE1 4.08Å; T174-Y177 HydrophobicContact CG2-CD2 4.43Å; T174-Y177 HydrophobicContact CG2-CE2 3.86Å; R175-Y177 PolarHBondContact O-N 2.66Å; R175-Y177 VanDerWaalsContact O-N 3.1Å; Y177-S196 WeakPolarHBondContact O-CB 3.19Å; Y177-S196 PolarHBondContact O-OG 3.26Å; Y177-C199 HydrophobicContact CD1-CB 4.02Å; Y177-I200 HydrophobicContact CD1-CG1 4.05Å; Y177-I200 HydrophobicContact CE1-CG1 4.3Å; Y177-E203 WeakPolarHBondContact CE1-OE2 3.43Å; Y177-E203 PolarHBondContact OH-OE2 2.94Å
178R95.8Very high80.1Confident29 Ų2942.7 Ų42.711%0.10922%0.219CC..  trans-79.8142.8178.1-61.4-176.4-170.5161.88.7110.8Y171 A173 R175 L182 L183 W195Y171-R178 PolarHBondContact O-NH2 3.14Å; Y171-R178 VanDerWaalsContact O-NH2 3.11Å; A173-R178 PolarHBondContact O-NH2 2.87Å; R175-R178 WeakPolarHBondContact O-CB 3.07Å; R175-R178 PolarHBondContact O-N 2.91Å; R178-L182 HydrophobicContact CB-CD2 4.26Å; R178-L182 HydrophobicContact CG-CD2 4.23Å; R178-L183 HydrophobicContact CB-CD1 4.42Å; R178-L183 HydrophobicContact CB-CD2 4Å; R178-L183 HydrophobicContact CB-CG 3.93Å; R178-W195 PolarHBondContact O-NE1 3.05Å
179S96.6Very high82.1Confident0 Ų037.5 Ų37.50%021%0.205CC..  trans-77.2158.7176.659.50000112.7E181 L182 L183 W195S179-E181 VanDerWaalsContact C-N 3.34Å; S179-E181 WeakPolarHBondContact CB-OE1 3.43Å; S179-E181 WeakPolarHBondContact CB-OE2 3.48Å; S179-E181 PolarHBondContact O-N 3.39Å; S179-E181 PolarHBondContact OG-OE1 3.45Å; S179-E181 PolarHBondContact OG-OE2 2.6Å; S179-L182 PolarHBondContact O-N 3.35Å; S179-L182 VanDerWaalsContact O-N 3.16Å; S179-L182 WeakPolarHBondContact OG-CB 3.16Å; S179-L183 WeakPolarHBondContact O-CG 3.35Å; S179-L183 PolarHBondContact O-N 2.71Å; S179-W195 VanDerWaalsContact CA-CD1 3.46Å
180P96.3Very high84.4Confident0 Ų037 Ų370%020%0.198CC..Hα-helixtrans-55.4-45.8-179.1-26.135.2000113L182 L183 L184 W195 L220 I223 L230 Q234 L280P180-L182 VanDerWaalsContact C-N 3.33Å; P180-L182 PolarHBondContact O-N 3.45Å; P180-L183 PolarHBondContact O-N 3.49Å; P180-L184 WeakPolarHBondContact O-CB 3.49Å; P180-L184 WeakPolarHBondContact O-CD1 3.45Å; P180-L184 WeakPolarHBondContact O-CG 3.1Å; P180-L184 PolarHBondContact O-N 2.83Å; P180-W195 HydrophobicContact CG-CH2 3.8Å; P180-W195 HydrophobicContact CG-CZ2 4.14Å; P180-W195 HydrophobicContact CG-CZ3 4.12Å; P180-L220 HydrophobicContact CB-CD2 4.24Å; P180-I223 HydrophobicContact CG-CD1 4.4Å; P180-I223 HydrophobicContact CG-CG2 4.32Å; P180-L230 HydrophobicContact CB-CD2 4.16Å; P180-L230 HydrophobicContact CG-CD2 4.39Å; P180-Q234 VanDerWaalsContact CB-OE1 3.3Å; P180-L280 HydrophobicContact CG-CD2 4.04Å
181E94.3Very high86.7Confident4 Ų430.8 Ų30.82%0.01917%0.17CC..Hα-helixtrans-68.1-30.8-179.276-73168.700112.7S179 G185 A186 V192 P282 R285S179-E181 VanDerWaalsContact C-N 3.34Å; S179-E181 WeakPolarHBondContact CB-OE1 3.43Å; S179-E181 WeakPolarHBondContact CB-OE2 3.48Å; S179-E181 PolarHBondContact O-N 3.39Å; S179-E181 PolarHBondContact OG-OE1 3.45Å; S179-E181 PolarHBondContact OG-OE2 2.6Å; E181-G185 PolarHBondContact O-N 3.14Å; E181-A186 HydrophobicContact CB-CB 3.73Å; E181-A186 VanDerWaalsContact O-CB 3.25Å; E181-A186 WeakPolarHBondContact O-CB 3.22Å; E181-A186 PolarHBondContact O-N 2.85Å; E181-V192 WeakPolarHBondContact OE1-CG1 3.43Å; E181-P282 HydrophobicContact CG-CB 4.21Å; E181-P282 HydrophobicContact CG-CG 4.15Å; E181-R285 IonicContact OE1-CZ 2.69Å; E181-R285 IonicContact OE1-NH1 2.75Å; E181-R285 PolarHBondContact OE1-NH1 3.08Å; E181-R285 IonicContact OE1-NH2 3.79Å; E181-R285 IonicContact OE2-CZ 3.18Å; E181-R285 IonicContact OE2-NH1 3.2Å; E181-R285 PolarHBondContact OE2-NH1 3.47Å; E181-R285 IonicContact OE2-NH2 3.25Å; E181-R285 PolarHBondContact OE2-NH2 2.96Å
182L91.1Very high88.8Confident29 Ų2928.6 Ų28.615%0.15216%0.162CC..Hα-helixtrans-73.8-34.2174.4-174.264.5000112.1R178 S179 P180 Y188 V192R178-L182 HydrophobicContact CB-CD2 4.26Å; R178-L182 HydrophobicContact CG-CD2 4.23Å; S179-L182 PolarHBondContact O-N 3.35Å; S179-L182 VanDerWaalsContact O-N 3.16Å; S179-L182 WeakPolarHBondContact OG-CB 3.16Å; P180-L182 VanDerWaalsContact C-N 3.33Å; P180-L182 PolarHBondContact O-N 3.45Å; L182-Y188 HydrophobicContact CD1-CD1 4.21Å; L182-Y188 HydrophobicContact CD1-CG 4.42Å; L182-V192 HydrophobicContact CB-CG1 4.43Å
183L92.1Very high91Very high3 Ų322.7 Ų22.72%0.01613%0.126CC..Hα-helixtrans-69.4-37.8172.5-69.4161.6000111.8R175 R178 S179 P180 G185 E216 Q219 L220 I223R175-L183 HydrophobicContact CB-CD2 4.4Å; R178-L183 HydrophobicContact CB-CD1 4.42Å; R178-L183 HydrophobicContact CB-CD2 4Å; R178-L183 HydrophobicContact CB-CG 3.93Å; S179-L183 WeakPolarHBondContact O-CG 3.35Å; S179-L183 PolarHBondContact O-N 2.71Å; P180-L183 PolarHBondContact O-N 3.49Å; L183-G185 VanDerWaalsContact C-N 3.29Å; L183-G185 PolarHBondContact O-N 2.92Å; L183-E216 HydrophobicContact CD2-CG 4.43Å; L183-Q219 HydrophobicContact CD1-CB 4.21Å; L183-Q219 HydrophobicContact CD1-CG 3.46Å; L183-Q219 VanDerWaalsContact CD1-CG 3.46Å; L183-Q219 HydrophobicContact CD2-CG 4.14Å; L183-Q219 HydrophobicContact CG-CG 4.47Å; L183-L220 HydrophobicContact CB-CD2 3.95Å; L183-L220 HydrophobicContact CB-CG 4.32Å; L183-L220 HydrophobicContact CD1-CD2 3.87Å; L183-L220 HydrophobicContact CD1-CG 4.29Å; L183-I223 HydrophobicContact CD1-CD1 3.94Å
184L91.3Very high92.7Very high0 Ų021.6 Ų21.60%012%0.117CC..THydrogen-bonded Turntrans-77.6-8.2-179.5-70.7167.4000114.4P180 L220 L230 Q234 L237 F238 N241 F244P180-L184 WeakPolarHBondContact O-CB 3.49Å; P180-L184 WeakPolarHBondContact O-CD1 3.45Å; P180-L184 WeakPolarHBondContact O-CG 3.1Å; P180-L184 PolarHBondContact O-N 2.83Å; L184-L220 HydrophobicContact CD2-CD1 3.74Å; L184-L220 HydrophobicContact CG-CD1 4.2Å; L184-L220 HydrophobicContact CG-CD2 4.27Å; L184-L230 HydrophobicContact CD1-CD1 4.29Å; L184-Q234 HydrophobicContact CD1-CB 3.59Å; L184-Q234 HydrophobicContact CD1-CG 4.05Å; L184-L237 HydrophobicContact CB-CD2 3.79Å; L184-L237 HydrophobicContact CB-CG 4.26Å; L184-F238 HydrophobicContact CD2-CB 3.73Å; L184-F238 HydrophobicContact CD2-CD2 3.77Å; L184-F238 HydrophobicContact CD2-CG 4.26Å; L184-N241 PolarHBondContact O-ND2 3.35Å; L184-F244 HydrophobicContact CD2-CE2 4.01Å
185G85.8Confident93.6Very high16 Ų1620.5 Ų20.517%0.16511%0.11CC..THydrogen-bonded Turntrans72.235.3-176.200000113.3Y168 E181 L183Y168-G185 WeakPolarHBondContact CE1-O 3.41Å; Y168-G185 VanDerWaalsContact CZ-O 3.27Å; Y168-G185 PolarHBondContact OH-O 3.45Å; Y168-G185 VanDerWaalsContact OH-O 3.07Å; E181-G185 PolarHBondContact O-N 3.14Å; L183-G185 VanDerWaalsContact C-N 3.29Å; L183-G185 PolarHBondContact O-N 2.92Å
186A86.8Confident94Very high10 Ų1017.7 Ų17.78%0.08310%0.101CC..  trans-76.9163.5174.100000111.9E181 Y188 L237E181-A186 HydrophobicContact CB-CB 3.73Å; E181-A186 VanDerWaalsContact O-CB 3.25Å; E181-A186 WeakPolarHBondContact O-CB 3.22Å; E181-A186 PolarHBondContact O-N 2.85Å; A186-Y188 WeakPolarHBondContact O-CD1 3.36Å; A186-Y188 PolarHBondContact O-N 3.4Å; A186-L237 HydrophobicContact CB-CD2 3.46Å; A186-L237 VanDerWaalsContact CB-CD2 3.46Å
187P85.1Confident94.1Very high94 Ų9416.1 Ų16.161%0.6110%0.095SC*.  trans-53.3135.2154.6-21.633.9000110.5
188Y87.8Confident94.2Very high40 Ų4015.5 Ų15.516%0.1579%0.092CC..  trans-128.3157.5-174.155-94.5000112.2R134 L182 A186R134-Y188 PolarHBondContact NH2-OH 3.45Å; L182-Y188 HydrophobicContact CD1-CD1 4.21Å; L182-Y188 HydrophobicContact CD1-CG 4.42Å; A186-Y188 WeakPolarHBondContact O-CD1 3.36Å; A186-Y188 PolarHBondContact O-N 3.4Å
189G91.8Very high94.3Very high22 Ų2214.2 Ų14.223%0.2279%0.088CC..  trans-143.9-159.7178.900000112.4S191 V192G189-S191 PolarHBondContact O-N 2.92Å; G189-V192 WeakPolarHBondContact O-CG2 3.13Å; G189-V192 PolarHBondContact O-N 2.94Å
190K96.3Very high94.4Very high56 Ų5614.3 Ų14.324%0.2439%0.088CC..THydrogen-bonded Turntrans-56.6-25.5-176.1-63.4-178.9-176.2-174.30113.6H127 D130 V132 L160 V192 L287H127-K190 HydrophobicContact CB-CD 4.02Å; H127-K190 PolarHBondContact CE1-O 3.21Å; H127-K190 PolarHBondContact NE2-O 3.37Å; H127-K190 WeakPolarHBondContact O-CE 3.26Å; H127-K190 PolarHBondContact O-NZ 2.96Å; D130-K190 VanDerWaalsContact OD1-CE 3.29Å; D130-K190 WeakPolarHBondContact OD1-CE 3.19Å; D130-K190 IonicContact OD1-NZ 3.25Å; D130-K190 PolarHBondContact OD1-NZ 3.34Å; V132-K190 HydrophobicContact CG2-CG 4.04Å; L160-K190 HydrophobicContact CD1-CD 4.27Å; L160-K190 VanDerWaalsContact CD1-CE 3.49Å; L160-K190 HydrophobicContact CD1-CG 3.75Å; K190-V192 VanDerWaalsContact C-N 3.3Å; K190-V192 PolarHBondContact O-N 3.26Å; K190-L287 HydrophobicContact CB-CD2 4.13Å
191S97.5Very high94.5Very high15 Ų1514.3 Ų14.311%0.1059%0.088CC..Hα-helixtrans-72.8-6.518045.40000116.1G189 W195 P282 R285G189-S191 PolarHBondContact O-N 2.92Å; S191-W195 PolarHBondContact O-N 3.26Å; S191-P282 WeakPolarHBondContact CB-O 3.38Å; S191-P282 PolarHBondContact OG-O 3.02Å; S191-R285 PolarHBondContact O-NH1 3.11Å
192V96.9Very high94.7Very high2 Ų214.1 Ų14.11%0.0129%0.087CC..Hα-helixtrans-70.4-41.9170.9-56.40000112V132 R134 E181 L182 G189 K190 M194 W195 S196V132-V192 HydrophobicContact CG1-CG2 3.41Å; V132-V192 VanDerWaalsContact CG1-CG2 3.41Å; R134-V192 HydrophobicContact CG-CG2 4.19Å; E181-V192 WeakPolarHBondContact OE1-CG1 3.43Å; L182-V192 HydrophobicContact CB-CG1 4.43Å; G189-V192 WeakPolarHBondContact O-CG2 3.13Å; G189-V192 PolarHBondContact O-N 2.94Å; K190-V192 VanDerWaalsContact C-N 3.3Å; K190-V192 PolarHBondContact O-N 3.26Å; V192-M194 VanDerWaalsContact C-N 3.27Å; V192-M194 PolarHBondContact O-N 2.84Å; V192-W195 WeakPolarHBondContact O-CB 3.43Å; V192-W195 PolarHBondContact O-N 3.19Å; V192-S196 PolarHBondContact O-N 3.01Å; V192-S196 PolarHBondContact O-OG 3.4Å
193D98.4Very high95.1Very high0 Ų012.8 Ų12.80%08%0.08CC..Hα-helixtrans-67-35.2-179.4-62.8-30.5000110.3I123 H127 V132 H133 R134 I136 W195 S196 V197I123-D193 HydrophobicContact CD1-CB 4.34Å; I123-D193 HydrophobicContact CG2-CB 3.9Å; H127-D193 IonicContact CD2-OD2 3.87Å; H127-D193 IonicContact CE1-OD2 3.65Å; H127-D193 IonicContact NE2-OD2 3.49Å; H127-D193 PolarHBondContact NE2-OD2 3.23Å; V132-D193 WeakPolarHBondContact CA-OD2 3.47Å; V132-D193 VanDerWaalsContact CG1-OD2 3.29Å; V132-D193 WeakPolarHBondContact CG1-OD2 3.47Å; H133-D193 PolarHBondContact N-OD1 3.06Å; H133-D193 VanDerWaalsContact N-OD1 3.15Å; H133-D193 PolarHBondContact N-OD2 3.08Å; R134-D193 PolarHBondContact N-OD1 2.92Å; I136-D193 HydrophobicContact CG1-CB 4.26Å; D193-W195 VanDerWaalsContact C-N 3.33Å; D193-W195 PolarHBondContact O-N 3.42Å; D193-S196 WeakPolarHBondContact O-CB 3.47Å; D193-S196 PolarHBondContact O-N 3.16Å; D193-V197 WeakPolarHBondContact O-CG2 3.07Å; D193-V197 PolarHBondContact O-N 3.36Å; D193-V197 VanDerWaalsContact O-N 3.09Å
194M98.8Very high95.4Very high0 Ų012.6 Ų12.60%08%0.079CC..Hα-helixtrans-64.6-35.6179.2-53.9-49-60.100112.6I123 V192 V197 G198 L277 L287 T288 C291I123-M194 HydrophobicContact CG2-SD 4.14Å; V192-M194 VanDerWaalsContact C-N 3.27Å; V192-M194 PolarHBondContact O-N 2.84Å; M194-V197 WeakPolarHBondContact O-CB 3.5Å; M194-V197 PolarHBondContact O-N 3.31Å; M194-G198 PolarHBondContact O-N 3.08Å; M194-G198 VanDerWaalsContact O-N 3.12Å; M194-L277 HydrophobicContact CB-CD2 4.15Å; M194-L277 HydrophobicContact CE-CD2 3.68Å; M194-L287 HydrophobicContact CG-CD2 4.16Å; M194-T288 HydrophobicContact CE-CG2 3.94Å; M194-T288 HydrophobicContact SD-CG2 3.46Å; M194-T288 WeakPolarHBondContact SD-CG2 3.35Å; M194-C291 HydrophobicContact CE-CB 4.34Å; M194-C291 VanDerWaalsContact CE-SG 3.51Å
195W98.8Very high95.8Very high0 Ų013.5 Ų13.50%09%0.086CC..Hα-helixtrans-60.7-46.1172.4174.5-86.2000111.4R178 S179 P180 S191 V192 D193 V197 G198 C199 F211 I223 L227 L278 L280R178-W195 PolarHBondContact O-NE1 3.05Å; S179-W195 VanDerWaalsContact CA-CD1 3.46Å; P180-W195 HydrophobicContact CG-CH2 3.8Å; P180-W195 HydrophobicContact CG-CZ2 4.14Å; P180-W195 HydrophobicContact CG-CZ3 4.12Å; S191-W195 PolarHBondContact O-N 3.26Å; V192-W195 WeakPolarHBondContact O-CB 3.43Å; V192-W195 PolarHBondContact O-N 3.19Å; D193-W195 VanDerWaalsContact C-N 3.33Å; D193-W195 PolarHBondContact O-N 3.42Å; W195-V197 VanDerWaalsContact C-N 3.3Å; W195-V197 PolarHBondContact O-N 3.05Å; W195-G198 WeakPolarHBondContact O-CA 3.49Å; W195-G198 PolarHBondContact O-N 3.21Å; W195-C199 PolarHBondContact O-N 3.11Å; W195-F211 HydrophobicContact CH2-CE2 4.23Å; W195-F211 HydrophobicContact CZ2-CD2 4.08Å; W195-F211 AromaticContact CZ2-CE2 3.61Å; W195-F211 HydrophobicContact CZ2-CE2 3.61Å; W195-F211 HydrophobicContact CZ2-CZ 4.35Å; W195-I223 HydrophobicContact CH2-CG2 3.67Å; W195-I223 HydrophobicContact CZ2-CD1 3.82Å; W195-I223 HydrophobicContact CZ2-CG1 3.97Å; W195-I223 HydrophobicContact CZ2-CG2 3.91Å; W195-L227 HydrophobicContact CH2-CD1 3.48Å; W195-L227 VanDerWaalsContact CH2-CD1 3.48Å; W195-L227 HydrophobicContact CZ2-CD1 4.47Å; W195-L227 HydrophobicContact CZ3-CD1 3.94Å; W195-L278 HydrophobicContact CD2-CD2 3.8Å; W195-L278 HydrophobicContact CE3-CD2 3.85Å; W195-L278 HydrophobicContact CG-CD2 4.3Å; W195-L278 HydrophobicContact CH2-CD2 4.47Å; W195-L278 HydrophobicContact CZ2-CD2 4.4Å; W195-L278 HydrophobicContact CZ3-CB 4.37Å; W195-L278 HydrophobicContact CZ3-CD2 4.2Å; W195-L278 WeakPolarHBondContact O-CD2 3.47Å; W195-L280 HydrophobicContact CH2-CD2 4Å; W195-L280 HydrophobicContact CZ3-CD2 4.24Å
196S98.6Very high96.3Very high6 Ų613.7 Ų13.74%0.0428%0.083CC..Hα-helixtrans-62.3-35.9177.8-48.10000112.3Y177 V192 D193 G198 C199 I200Y177-S196 WeakPolarHBondContact O-CB 3.19Å; Y177-S196 PolarHBondContact O-OG 3.26Å; V192-S196 PolarHBondContact O-N 3.01Å; V192-S196 PolarHBondContact O-OG 3.4Å; D193-S196 WeakPolarHBondContact O-CB 3.47Å; D193-S196 PolarHBondContact O-N 3.16Å; S196-G198 VanDerWaalsContact C-N 3.31Å; S196-G198 PolarHBondContact O-N 3.26Å; S196-C199 PolarHBondContact O-N 2.7Å; S196-I200 VanDerWaalsContact O-CG1 3.3Å; S196-I200 WeakPolarHBondContact O-CG1 3.27Å; S196-I200 PolarHBondContact O-N 3.04Å
197V98.9Very high96.8Very high0 Ų013.2 Ų13.20%08%0.079CC..Hα-helixtrans-59.7-41.9170.3-178.80000111.1I116 L119 I120 I123 D193 M194 W195 I200 L201 L277I116-V197 HydrophobicContact CD1-CG1 4.15Å; I116-V197 HydrophobicContact CG2-CG1 3.89Å; L119-V197 HydrophobicContact CD2-CB 4.47Å; L119-V197 HydrophobicContact CD2-CG1 4.32Å; L119-V197 HydrophobicContact CD2-CG2 3.95Å; L119-V197 HydrophobicContact CG-CG2 4.08Å; I120-V197 HydrophobicContact CD1-CG1 4.17Å; I120-V197 HydrophobicContact CG1-CG1 3.91Å; I123-V197 HydrophobicContact CD1-CG2 3.36Å; D193-V197 WeakPolarHBondContact O-CG2 3.07Å; D193-V197 PolarHBondContact O-N 3.36Å; D193-V197 VanDerWaalsContact O-N 3.09Å; M194-V197 WeakPolarHBondContact O-CB 3.5Å; M194-V197 PolarHBondContact O-N 3.31Å; W195-V197 VanDerWaalsContact C-N 3.3Å; W195-V197 PolarHBondContact O-N 3.05Å; V197-I200 PolarHBondContact O-N 3.36Å; V197-L201 WeakPolarHBondContact O-CB 3.35Å; V197-L201 PolarHBondContact O-N 2.83Å; V197-L277 HydrophobicContact CB-CD1 4.41Å; V197-L277 HydrophobicContact CB-CD2 4.47Å; V197-L277 HydrophobicContact CG1-CD1 3.94Å
198G98.8Very high97.4Very high0 Ų011.9 Ų11.90%07%0.065CC..Hα-helixtrans-60.8-43.7175.900000113.2M194 W195 S196 G202M194-G198 PolarHBondContact O-N 3.08Å; M194-G198 VanDerWaalsContact O-N 3.12Å; W195-G198 WeakPolarHBondContact O-CA 3.49Å; W195-G198 PolarHBondContact O-N 3.21Å; S196-G198 VanDerWaalsContact C-N 3.31Å; S196-G198 PolarHBondContact O-N 3.26Å; G198-G202 PolarHBondContact O-N 3.24Å
199C98.8Very high97.9Very high2 Ų210.9 Ų10.91%0.0146%0.063CC..Hα-helixtrans-62-44.5174.2-650000112.2Y177 W195 S196 G202 E203Y177-C199 HydrophobicContact CD1-CB 4.02Å; W195-C199 PolarHBondContact O-N 3.11Å; S196-C199 PolarHBondContact O-N 2.7Å; C199-G202 PolarHBondContact O-N 3.42Å; C199-E203 PolarHBondContact O-N 3.13Å
200I98.8Very high98.2Very high1 Ų110.3 Ų10.31%0.0056%0.055CC..Hα-helixtrans-71.2-32.5-177.8-67.6173.1000111.7M96 I116 L119 I136 P138 L141 Y177 S196 V197 G202 E203 L204M96-I200 HydrophobicContact SD-CG2 3.55Å; M96-I200 VanDerWaalsContact SD-CG2 3.55Å; I116-I200 HydrophobicContact CD1-CG2 4.13Å; L119-I200 HydrophobicContact CD2-CD1 4.46Å; L119-I200 HydrophobicContact CD2-CG2 4.44Å; I136-I200 HydrophobicContact CG2-CD1 3.75Å; P138-I200 HydrophobicContact CG-CG1 4.39Å; L141-I200 HydrophobicContact CD1-CD1 3.78Å; L141-I200 HydrophobicContact CD1-CG2 4.33Å; Y177-I200 HydrophobicContact CD1-CG1 4.05Å; Y177-I200 HydrophobicContact CE1-CG1 4.3Å; S196-I200 VanDerWaalsContact O-CG1 3.3Å; S196-I200 WeakPolarHBondContact O-CG1 3.27Å; S196-I200 PolarHBondContact O-N 3.04Å; V197-I200 PolarHBondContact O-N 3.36Å; I200-G202 VanDerWaalsContact C-N 3.27Å; I200-G202 PolarHBondContact O-N 3.17Å; I200-E203 PolarHBondContact O-N 2.77Å; I200-L204 HydrophobicContact CG2-CD1 3.9Å; I200-L204 HydrophobicContact CG2-CG 4.14Å; I200-L204 VanDerWaalsContact O-CB 3.24Å; I200-L204 WeakPolarHBondContact O-CB 3.22Å; I200-L204 WeakPolarHBondContact O-CG 3.31Å; I200-L204 PolarHBondContact O-N 3.15Å
201L98.8Very high98.3Very high0 Ų07.7 Ų7.70%04%0.043CC..Hα-helixtrans-58.7-43.3170.8-165.1164.8000110.2V112 I116 V197 S205 L266 L270 L273 M274 L277V112-L201 HydrophobicContact CG1-CG 4.45Å; I116-L201 HydrophobicContact CD1-CB 3.9Å; I116-L201 HydrophobicContact CD1-CG 4.46Å; I116-L201 HydrophobicContact CG1-CB 4.16Å; I116-L201 HydrophobicContact CG1-CG 4.16Å; I116-L201 HydrophobicContact CG2-CD1 4.32Å; V197-L201 WeakPolarHBondContact O-CB 3.35Å; V197-L201 PolarHBondContact O-N 2.83Å; L201-S205 WeakPolarHBondContact O-CB 3.38Å; L201-S205 PolarHBondContact O-N 2.96Å; L201-S205 PolarHBondContact O-OG 3.41Å; L201-L266 HydrophobicContact CD2-CD1 4.07Å; L201-L266 HydrophobicContact CD2-CD2 4.05Å; L201-L270 HydrophobicContact CD1-CD2 4.44Å; L201-L270 HydrophobicContact CD2-CD2 4.42Å; L201-L273 HydrophobicContact CD1-CD2 4.01Å; L201-L273 HydrophobicContact CD1-CG 4.26Å; L201-M274 HydrophobicContact CD2-CB 4.44Å; L201-M274 HydrophobicContact CD2-CE 4.1Å; L201-L277 HydrophobicContact CD1-CD1 4.21Å
202G98.5Very high98.2Very high0 Ų08.9 Ų8.90%05%0.051CC..Hα-helixtrans-61.6-55.8174.900000113.4G198 C199 I200 L204 S205 D206 Y262G198-G202 PolarHBondContact O-N 3.24Å; C199-G202 PolarHBondContact O-N 3.42Å; I200-G202 VanDerWaalsContact C-N 3.27Å; I200-G202 PolarHBondContact O-N 3.17Å; G202-L204 PolarHBondContact O-N 2.87Å; G202-S205 WeakPolarHBondContact O-CB 3.44Å; G202-S205 PolarHBondContact O-N 3.25Å; G202-D206 PolarHBondContact O-N 2.94Å; G202-Y262 WeakPolarHBondContact CA-OH 3.22Å
203E98.6Very high98.2Very high1 Ų18.8 Ų8.81%0.0055%0.05CC..Hα-helixtrans-66.3-33.7-177.1-176.1169.1-178.100112.9L100 Y177 C199 I200 S205 G207 Q208 P209 R610L100-E203 HydrophobicContact CD1-CG 3.85Å; L100-E203 HydrophobicContact CD2-CG 4.18Å; L100-E203 WeakPolarHBondContact CD2-O 3.2Å; Y177-E203 WeakPolarHBondContact CE1-OE2 3.43Å; Y177-E203 PolarHBondContact OH-OE2 2.94Å; C199-E203 PolarHBondContact O-N 3.13Å; I200-E203 PolarHBondContact O-N 2.77Å; E203-S205 PolarHBondContact O-N 3.14Å; E203-G207 WeakPolarHBondContact O-CA 3.5Å; E203-G207 PolarHBondContact O-N 3.07Å; E203-Q208 WeakPolarHBondContact CA-O 3.41Å; E203-Q208 WeakPolarHBondContact CB-O 3.2Å; E203-P209 WeakPolarHBondContact OE2-CA 3.3Å; E203-R610 IonicContact OE1-CZ 3.67Å; E203-R610 VanDerWaalsContact OE1-CZ 3.23Å; E203-R610 IonicContact OE1-NH1 3.72Å; E203-R610 PolarHBondContact OE1-NH1 2.75Å; E203-R610 IonicContact OE1-NH2 3.16Å; E203-R610 PolarHBondContact OE1-NH2 3.08Å
204L98.8Very high97.9Very high0 Ų017 Ų170%09%0.088CC..Hα-helixtrans-62.7-23.2170.6-80.6174.5000113.3M96 L100 G106 V107 V112 Y115 I116 I200 G202M96-L204 HydrophobicContact CE-CD1 3.97Å; M96-L204 HydrophobicContact CE-CD2 4.22Å; M96-L204 HydrophobicContact CG-CD2 3.97Å; M96-L204 HydrophobicContact SD-CD1 3.92Å; M96-L204 HydrophobicContact SD-CD2 3.78Å; M96-L204 HydrophobicContact SD-CG 3.93Å; L100-L204 HydrophobicContact CD2-CD2 4.38Å; G106-L204 CarbonylContact C-O 3.6Å; G106-L204 WeakPolarHBondContact CA-O 3.39Å; V107-L204 HydrophobicContact CG1-CD2 4.21Å; V107-L204 HydrophobicContact CG2-CB 4.46Å; V107-L204 HydrophobicContact CG2-CD2 4.06Å; V107-L204 PolarHBondContact N-O 3.29Å; V112-L204 HydrophobicContact CG1-CB 4.1Å; V112-L204 HydrophobicContact CG2-CB 4.19Å; Y115-L204 HydrophobicContact CD2-CD1 4.4Å; Y115-L204 HydrophobicContact CD2-CD2 4.23Å; I116-L204 HydrophobicContact CD1-CD1 4.02Å; I116-L204 HydrophobicContact CG1-CD1 4.14Å; I200-L204 HydrophobicContact CG2-CD1 3.9Å; I200-L204 HydrophobicContact CG2-CG 4.14Å; I200-L204 VanDerWaalsContact O-CB 3.24Å; I200-L204 WeakPolarHBondContact O-CB 3.22Å; I200-L204 WeakPolarHBondContact O-CG 3.31Å; I200-L204 PolarHBondContact O-N 3.15Å; G202-L204 PolarHBondContact O-N 2.87Å
205S98.5Very high97.5Very high19 Ų1919.4 Ų19.413%0.13311%0.105CC..Hα-helixtrans-92.7-20.1-173.2-56.90000114.4L201 G202 E203 I265 L266L201-S205 WeakPolarHBondContact O-CB 3.38Å; L201-S205 PolarHBondContact O-N 2.96Å; L201-S205 PolarHBondContact O-OG 3.41Å; G202-S205 WeakPolarHBondContact O-CB 3.44Å; G202-S205 PolarHBondContact O-N 3.25Å; E203-S205 PolarHBondContact O-N 3.14Å; S205-I265 WeakPolarHBondContact O-CG2 3.44Å; S205-L266 WeakPolarHBondContact OG-CD2 3.32Å
206D97.6Very high97.1Very high19 Ų1920.9 Ų20.910%0.10211%0.112CC..Hα-helixtrans-140.91.8177.867.218.7000115.6N105 G202 Q208 R261 Y262 I265N105-D206 CarbonylContact C-O 3.27Å; N105-D206 VanDerWaalsContact C-O 3.27Å; N105-D206 WeakPolarHBondContact CA-O 3.33Å; N105-D206 CarbonylContact O-C 3.45Å; N105-D206 WeakPolarHBondContact O-CA 3.46Å; G202-D206 PolarHBondContact O-N 2.94Å; D206-Q208 VanDerWaalsContact C-N 3.26Å; D206-Q208 PolarHBondContact O-N 2.98Å; D206-Q208 PolarHBondContact O-NE2 3.21Å; D206-Q208 WeakPolarHBondContact OD1-CB 3.4Å; D206-Q208 PolarHBondContact OD1-N 2.88Å; D206-R261 IonicContact OD1-NH2 2.68Å; D206-R261 IonicContact OD2-CZ 3.61Å; D206-R261 IonicContact OD2-NH1 2.72Å; D206-R261 PolarHBondContact OD2-NH1 3.35Å; D206-R261 IonicContact OD2-NH2 2.73Å; D206-R261 PolarHBondContact OD2-NH2 3.12Å; D206-Y262 VanDerWaalsContact OD2-CE1 3.28Å; D206-Y262 WeakPolarHBondContact OD2-CE1 3.24Å; D206-I265 HydrophobicContact CB-CD1 4.15Å; D206-I265 HydrophobicContact CB-CG2 4.21Å
207G97.6Very high96.8Very high0 Ų022.4 Ų22.40%012%0.119CC..SBendtrans79.6-1.817900000115E203 R610E203-G207 WeakPolarHBondContact O-CA 3.5Å; E203-G207 PolarHBondContact O-N 3.07Å; G207-R610 PolarHBondContact O-NH2 2.81Å
208Q97.3Very high96.5Very high67 Ų6724.1 Ų24.131%0.31313%0.129SC..SBendtrans-109.2131-173.8-43.9-42.4-57.400111.8P104 E203 D206 L210P104-Q208 PolarHBondContact O-NE2 2.97Å; E203-Q208 WeakPolarHBondContact CA-O 3.41Å; E203-Q208 WeakPolarHBondContact CB-O 3.2Å; D206-Q208 VanDerWaalsContact C-N 3.26Å; D206-Q208 PolarHBondContact O-N 2.98Å; D206-Q208 PolarHBondContact O-NE2 3.21Å; D206-Q208 WeakPolarHBondContact OD1-CB 3.4Å; D206-Q208 PolarHBondContact OD1-N 2.88Å; Q208-L210 PolarHBondContact O-N 3.41Å
209P97.7Very high96.4Very high19 Ų1924.1 Ų24.112%0.12313%0.129CC..  trans-60.3127.4174.325.5-34.6000110.3W176 E203 F211 P212W176-P209 HydrophobicContact CD2-CB 4.49Å; W176-P209 HydrophobicContact CE3-CB 3.69Å; W176-P209 HydrophobicContact CE3-CG 4.05Å; W176-P209 HydrophobicContact CH2-CG 4.49Å; W176-P209 HydrophobicContact CZ3-CB 3.97Å; W176-P209 HydrophobicContact CZ3-CG 3.82Å; E203-P209 WeakPolarHBondContact OE2-CA 3.3Å; P209-F211 PolarHBondContact O-N 2.85Å; P209-P212 HydrophobicContact CB-CB 4.29Å; P209-P212 HydrophobicContact CG-CB 3.94Å; P209-P212 WeakPolarHBondContact O-CD 3.48Å
210L98.1Very high96.2Very high10 Ų1024 Ų245%0.05213%0.128CC..SBendtrans-66.1-37.4-172.9176.355.1000113.3Q208 L258 R261 Y262 L278Q208-L210 PolarHBondContact O-N 3.41Å; L210-L258 HydrophobicContact CD2-CD2 4.39Å; L210-R261 HydrophobicContact CD1-CG 4.15Å; L210-Y262 HydrophobicContact CD1-CE2 3.84Å; L210-Y262 HydrophobicContact CD2-CE2 4.42Å; L210-L278 HydrophobicContact CD2-CD1 3.5Å; L210-L278 VanDerWaalsContact CD2-CD1 3.5Å
211F98.1Very high96.1Very high1 Ų126.5 Ų26.50%0.00414%0.139CC..  trans-13175.8-178.8-53.5-56.7000111.7W176 W195 P209 G213 Q219 T222 I223 V226 L227 L278W176-F211 WeakPolarHBondContact CA-O 3.39Å; W176-F211 VanDerWaalsContact CB-O 3.32Å; W176-F211 WeakPolarHBondContact CB-O 3.41Å; W195-F211 HydrophobicContact CH2-CE2 4.23Å; W195-F211 HydrophobicContact CZ2-CD2 4.08Å; W195-F211 AromaticContact CZ2-CE2 3.61Å; W195-F211 HydrophobicContact CZ2-CE2 3.61Å; W195-F211 HydrophobicContact CZ2-CZ 4.35Å; P209-F211 PolarHBondContact O-N 2.85Å; F211-G213 VanDerWaalsContact C-N 3.3Å; F211-G213 PolarHBondContact O-N 3.37Å; F211-Q219 PolarHBondContact O-NE2 3.32Å; F211-Q219 PolarHBondContact O-OE1 2.98Å; F211-T222 HydrophobicContact CB-CG2 4.46Å; F211-I223 HydrophobicContact CB-CG1 4.12Å; F211-I223 HydrophobicContact CD1-CB 4.45Å; F211-I223 HydrophobicContact CD1-CG1 4.01Å; F211-I223 HydrophobicContact CD2-CG1 3.93Å; F211-I223 HydrophobicContact CE1-CG1 4.38Å; F211-I223 HydrophobicContact CE2-CG1 4.31Å; F211-I223 HydrophobicContact CG-CG1 3.76Å; F211-V226 HydrophobicContact CD1-CG2 4.38Å; F211-V226 HydrophobicContact CE1-CB 3.96Å; F211-V226 HydrophobicContact CE1-CG2 3.85Å; F211-L227 HydrophobicContact CZ-CD1 3.95Å; F211-L227 HydrophobicContact CZ-CG 4.13Å; F211-L278 HydrophobicContact CE2-CD1 4.43Å; F211-L278 HydrophobicContact CE2-CD2 4.33Å; F211-L278 HydrophobicContact CZ-CD1 4.49Å
212P96.7Very high96Very high40 Ų4027.4 Ų27.426%0.2614%0.144SC..  trans-85.655.5-171.835-35.2000113.5W176 P209W176-P212 HydrophobicContact CD2-CB 4.19Å; W176-P212 HydrophobicContact CH2-CB 4.49Å; W176-P212 HydrophobicContact CZ2-CB 4.11Å; W176-P212 VanDerWaalsContact NE1-C 3.28Å; P209-P212 HydrophobicContact CB-CB 4.29Å; P209-P212 HydrophobicContact CG-CB 3.94Å; P209-P212 WeakPolarHBondContact O-CD 3.48Å
213G95.1Very high95.9Very high0 Ų027.4 Ų27.40%014%0.144CC..  trans-71.8136.1-172.500000115.4R175 W176 F211 D218R175-G213 PolarHBondContact NH1-O 3.25Å; W176-G213 PolarHBondContact NE1-O 3.08Å; F211-G213 VanDerWaalsContact C-N 3.3Å; F211-G213 PolarHBondContact O-N 3.37Å; G213-D218 VanDerWaalsContact CA-OD2 3.25Å; G213-D218 WeakPolarHBondContact CA-OD2 3.3Å
214E92.1Very high95.8Very high172 Ų17227.7 Ų27.780%0.80415%0.146SC*.SBendtrans-79.6-30.2-174.1-63.2-170.8163.900113.6R175 D218R175-E214 VanDerWaalsContact CZ-O 3.29Å; R175-E214 PolarHBondContact NH1-O 3.46Å; R175-E214 PolarHBondContact NH2-O 3Å; E214-D218 PolarHBondContact N-OD2 2.85Å
215S91.1Very high95.7Very high51 Ų5131.5 Ų31.536%0.35716%0.162SC..SBendtrans-131175.2174680000110.1R175 D218 Q219R175-S215 VanDerWaalsContact CD-O 3.27Å; R175-S215 WeakPolarHBondContact CD-O 3.21Å; S215-D218 PolarHBondContact O-N 3.02Å; S215-D218 WeakPolarHBondContact OG-CB 3.48Å; S215-D218 PolarHBondContact OG-N 3.13Å; S215-Q219 VanDerWaalsContact O-CB 3.28Å; S215-Q219 WeakPolarHBondContact O-CB 3.5Å; S215-Q219 PolarHBondContact O-N 3.41Å
216E89.8Confident95.7Very high31 Ų3131 Ų3115%0.14516%0.159CC..Hα-helixtrans-69.8-34.9175.8-65.4-177.9165.300112.6L183 Q219 L220 R243L183-E216 HydrophobicContact CD2-CG 4.43Å; E216-Q219 PolarHBondContact O-N 3.33Å; E216-L220 WeakPolarHBondContact O-CG 3.36Å; E216-L220 PolarHBondContact O-N 3.32Å; E216-R243 VanDerWaalsContact CD-NH1 3.28Å; E216-R243 VanDerWaalsContact CD-NH2 3.28Å; E216-R243 IonicContact OE1-CZ 2.73Å; E216-R243 IonicContact OE1-NH1 2.81Å; E216-R243 PolarHBondContact OE1-NH1 3.46Å; E216-R243 VanDerWaalsContact OE1-NH1 3.13Å; E216-R243 IonicContact OE1-NH2 2.77Å; E216-R243 PolarHBondContact OE1-NH2 2.94Å; E216-R243 IonicContact OE2-CZ 2.76Å; E216-R243 IonicContact OE2-NH1 2.68Å; E216-R243 PolarHBondContact OE2-NH1 3.47Å; E216-R243 IonicContact OE2-NH2 3.23Å; E216-R243 PolarHBondContact OE2-NH2 3.4Å; E216-R243 VanDerWaalsContact OE2-NH2 3.08Å
217I92.5Very high95.7Very high37 Ų3732.2 Ų32.219%0.1917%0.165CC..Hα-helixtrans-63.8-47.1172-54.7-58.2000110.4Q219 L220 F221 F238 F244 L247 P250I217-Q219 VanDerWaalsContact C-N 3.32Å; I217-Q219 PolarHBondContact O-N 3.12Å; I217-L220 PolarHBondContact O-N 3.38Å; I217-F221 WeakPolarHBondContact O-CB 3.41Å; I217-F221 PolarHBondContact O-N 3.23Å; I217-F238 HydrophobicContact CD1-CE2 3.54Å; I217-F238 HydrophobicContact CD1-CZ 3.85Å; I217-F244 HydrophobicContact CD1-CD1 3.75Å; I217-F244 HydrophobicContact CD1-CE1 4.21Å; I217-F244 HydrophobicContact CD1-CG 4.47Å; I217-L247 HydrophobicContact CD1-CD1 3.79Å; I217-L247 HydrophobicContact CG1-CD1 3.97Å; I217-P250 HydrophobicContact CG2-CG 4.41Å
218D94Very high95.6Very high37 Ų3732.5 Ų32.520%0.19817%0.168CC..Hα-helixtrans-70-28.7178.9178.461.6000112.6G213 E214 S215 F221 T222 K225G213-D218 VanDerWaalsContact CA-OD2 3.25Å; G213-D218 WeakPolarHBondContact CA-OD2 3.3Å; E214-D218 PolarHBondContact N-OD2 2.85Å; S215-D218 PolarHBondContact O-N 3.02Å; S215-D218 WeakPolarHBondContact OG-CB 3.48Å; S215-D218 PolarHBondContact OG-N 3.13Å; D218-F221 PolarHBondContact O-N 3.07Å; D218-T222 WeakPolarHBondContact O-CB 3.47Å; D218-T222 PolarHBondContact O-N 3Å; D218-T222 PolarHBondContact O-OG1 2.79Å; D218-T222 PolarHBondContact OD1-OG1 3.13Å; D218-K225 IonicContact OD1-NZ 3.5Å
219Q95.6Very high95.4Very high0 Ų033.9 Ų33.90%018%0.182CC..Hα-helixtrans-62-50.6169.6-172.86733.700110.9R175 W176 L183 F211 S215 E216 I217 F221 T222 I223R175-Q219 HydrophobicContact CG-CB 4.23Å; R175-Q219 HydrophobicContact CG-CG 4.12Å; W176-Q219 PolarHBondContact O-NE2 2.88Å; L183-Q219 HydrophobicContact CD1-CB 4.21Å; L183-Q219 HydrophobicContact CD1-CG 3.46Å; L183-Q219 VanDerWaalsContact CD1-CG 3.46Å; L183-Q219 HydrophobicContact CD2-CG 4.14Å; L183-Q219 HydrophobicContact CG-CG 4.47Å; F211-Q219 PolarHBondContact O-NE2 3.32Å; F211-Q219 PolarHBondContact O-OE1 2.98Å; S215-Q219 VanDerWaalsContact O-CB 3.28Å; S215-Q219 WeakPolarHBondContact O-CB 3.5Å; S215-Q219 PolarHBondContact O-N 3.41Å; E216-Q219 PolarHBondContact O-N 3.33Å; I217-Q219 VanDerWaalsContact C-N 3.32Å; I217-Q219 PolarHBondContact O-N 3.12Å; Q219-F221 VanDerWaalsContact C-N 3.31Å; Q219-F221 PolarHBondContact O-N 3.47Å; Q219-T222 PolarHBondContact O-N 2.99Å; Q219-I223 HydrophobicContact CG-CD1 4.17Å; Q219-I223 WeakPolarHBondContact O-CB 3.44Å; Q219-I223 WeakPolarHBondContact O-CD1 3.33Å; Q219-I223 WeakPolarHBondContact O-CG1 3.32Å; Q219-I223 PolarHBondContact O-N 3.35Å
220L95.7Very high95.3Very high0 Ų033.4 Ų33.40%018%0.179CC..Hα-helixtrans-63.5-35.7176.7-68.3170.4000112.1P180 L183 L184 E216 I217 Q224 L230 F238 F249P180-L220 HydrophobicContact CB-CD2 4.24Å; L183-L220 HydrophobicContact CB-CD2 3.95Å; L183-L220 HydrophobicContact CB-CG 4.32Å; L183-L220 HydrophobicContact CD1-CD2 3.87Å; L183-L220 HydrophobicContact CD1-CG 4.29Å; L184-L220 HydrophobicContact CD2-CD1 3.74Å; L184-L220 HydrophobicContact CG-CD1 4.2Å; L184-L220 HydrophobicContact CG-CD2 4.27Å; E216-L220 WeakPolarHBondContact O-CG 3.36Å; E216-L220 PolarHBondContact O-N 3.32Å; I217-L220 PolarHBondContact O-N 3.38Å; L220-Q224 WeakPolarHBondContact O-CG 3.49Å; L220-Q224 PolarHBondContact O-N 3Å; L220-Q224 PolarHBondContact O-NE2 2.83Å; L220-L230 HydrophobicContact CD2-CD1 4.15Å; L220-F238 HydrophobicContact CD1-CD2 4.37Å; L220-F249 HydrophobicContact CB-CE2 3.77Å; L220-F249 HydrophobicContact CB-CZ 3.94Å; L220-F249 HydrophobicContact CD1-CE2 4.09Å
221F95.5Very high95.1Very high53 Ų5334.7 Ų34.723%0.23219%0.187CC..Hα-helixtrans-66-47.8173.7-177.6-142.8000112I217 D218 Q219 I223 Q224 K225 P250 V252I217-F221 WeakPolarHBondContact O-CB 3.41Å; I217-F221 PolarHBondContact O-N 3.23Å; D218-F221 PolarHBondContact O-N 3.07Å; Q219-F221 VanDerWaalsContact C-N 3.31Å; Q219-F221 PolarHBondContact O-N 3.47Å; F221-I223 VanDerWaalsContact C-N 3.34Å; F221-I223 PolarHBondContact O-N 2.98Å; F221-Q224 PolarHBondContact O-N 3.04Å; F221-Q224 VanDerWaalsContact O-N 3.13Å; F221-K225 HydrophobicContact CE2-CG 4.44Å; F221-K225 WeakPolarHBondContact O-CG 3.41Å; F221-K225 PolarHBondContact O-N 2.95Å; F221-P250 HydrophobicContact CB-CG 3.67Å; F221-P250 HydrophobicContact CD1-CB 4.42Å; F221-P250 HydrophobicContact CD1-CG 4.08Å; F221-P250 HydrophobicContact CD2-CB 3.76Å; F221-P250 HydrophobicContact CD2-CG 3.52Å; F221-P250 HydrophobicContact CE1-CB 4.45Å; F221-P250 HydrophobicContact CE2-CB 3.81Å; F221-P250 HydrophobicContact CE2-CG 4.1Å; F221-P250 HydrophobicContact CG-CB 4.09Å; F221-P250 HydrophobicContact CG-CG 3.51Å; F221-P250 HydrophobicContact CZ-CB 4.16Å; F221-V252 HydrophobicContact CD2-CG2 3.69Å; F221-V252 HydrophobicContact CE2-CG2 3.66Å
222T96.8Very high94.9Very high19 Ų1938.8 Ų38.812%0.11722%0.216CC..Hα-helixtrans-69.2-30.8-177.6-68.70000112.6F211 D218 Q219 K225F211-T222 HydrophobicContact CB-CG2 4.46Å; D218-T222 WeakPolarHBondContact O-CB 3.47Å; D218-T222 PolarHBondContact O-N 3Å; D218-T222 PolarHBondContact O-OG1 2.79Å; D218-T222 PolarHBondContact OD1-OG1 3.13Å; Q219-T222 PolarHBondContact O-N 2.99Å; T222-K225 PolarHBondContact OG1-NZ 3.46Å; T222-K225 VanDerWaalsContact OG1-NZ 3.08Å
223I97.8Very high94.8Very high0 Ų042.6 Ų42.60%023%0.231CC..Hα-helixtrans-59-50.6166.9-72.3167000110.8P180 L183 W195 F211 Q219 F221 K225 V226 L227 L280P180-I223 HydrophobicContact CG-CD1 4.4Å; P180-I223 HydrophobicContact CG-CG2 4.32Å; L183-I223 HydrophobicContact CD1-CD1 3.94Å; W195-I223 HydrophobicContact CH2-CG2 3.67Å; W195-I223 HydrophobicContact CZ2-CD1 3.82Å; W195-I223 HydrophobicContact CZ2-CG1 3.97Å; W195-I223 HydrophobicContact CZ2-CG2 3.91Å; F211-I223 HydrophobicContact CB-CG1 4.12Å; F211-I223 HydrophobicContact CD1-CB 4.45Å; F211-I223 HydrophobicContact CD1-CG1 4.01Å; F211-I223 HydrophobicContact CD2-CG1 3.93Å; F211-I223 HydrophobicContact CE1-CG1 4.38Å; F211-I223 HydrophobicContact CE2-CG1 4.31Å; F211-I223 HydrophobicContact CG-CG1 3.76Å; Q219-I223 HydrophobicContact CG-CD1 4.17Å; Q219-I223 WeakPolarHBondContact O-CB 3.44Å; Q219-I223 WeakPolarHBondContact O-CD1 3.33Å; Q219-I223 WeakPolarHBondContact O-CG1 3.32Å; Q219-I223 PolarHBondContact O-N 3.35Å; F221-I223 VanDerWaalsContact C-N 3.34Å; F221-I223 PolarHBondContact O-N 2.98Å; I223-K225 PolarHBondContact O-N 3.02Å; I223-V226 PolarHBondContact O-N 3.33Å; I223-L227 HydrophobicContact CG2-CD1 4.03Å; I223-L227 PolarHBondContact O-N 2.92Å; I223-L280 HydrophobicContact CG2-CD2 3.71Å
224Q96.5Very high94.7Very high6 Ų643.2 Ų43.23%0.02823%0.233CC..Hα-helixtrans-69.7-31-178.2-65.817099.800113.6L220 F221 V226 L227 G228 L230 V252L220-Q224 WeakPolarHBondContact O-CG 3.49Å; L220-Q224 PolarHBondContact O-N 3Å; L220-Q224 PolarHBondContact O-NE2 2.83Å; F221-Q224 PolarHBondContact O-N 3.04Å; F221-Q224 VanDerWaalsContact O-N 3.13Å; Q224-V226 PolarHBondContact O-N 2.87Å; Q224-L227 PolarHBondContact O-N 3.36Å; Q224-G228 VanDerWaalsContact CA-O 3.22Å; Q224-G228 WeakPolarHBondContact CA-O 3.1Å; Q224-G228 VanDerWaalsContact CB-O 3.24Å; Q224-G228 WeakPolarHBondContact CB-O 3.4Å; Q224-G228 VanDerWaalsContact CG-O 3.25Å; Q224-G228 WeakPolarHBondContact CG-O 3.39Å; Q224-G228 WeakPolarHBondContact O-CA 3.3Å; Q224-G228 PolarHBondContact O-N 3.04Å; Q224-L230 HydrophobicContact CG-CD2 3.79Å; Q224-L230 HydrophobicContact CG-CG 3.85Å; Q224-V252 HydrophobicContact CB-CB 4.38Å; Q224-V252 HydrophobicContact CB-CG2 3.71Å
225K96.1Very high94.8Very high81 Ų8136.9 Ų36.935%0.35220%0.204SC..Hα-helixtrans-52.6-28.3172.3-74.9176.5-164.8148.70112D218 F221 T222 I223 V252 P255 Q256D218-K225 IonicContact OD1-NZ 3.5Å; F221-K225 HydrophobicContact CE2-CG 4.44Å; F221-K225 WeakPolarHBondContact O-CG 3.41Å; F221-K225 PolarHBondContact O-N 2.95Å; T222-K225 PolarHBondContact OG1-NZ 3.46Å; T222-K225 VanDerWaalsContact OG1-NZ 3.08Å; I223-K225 PolarHBondContact O-N 3.02Å; K225-V252 HydrophobicContact CG-CG2 4.49Å; K225-P255 CarbonylContact O-C 3.56Å; K225-P255 WeakPolarHBondContact O-CA 3.46Å; K225-Q256 PolarHBondContact O-N 3.49Å
226V97.5Very high94.8Very high9 Ų940.2 Ų40.26%0.05521%0.213CC..Hα-helixtrans-98-49.2174.2-169.90000111.6F211 I223 Q224 S257 L258 R261F211-V226 HydrophobicContact CD1-CG2 4.38Å; F211-V226 HydrophobicContact CE1-CB 3.96Å; F211-V226 HydrophobicContact CE1-CG2 3.85Å; I223-V226 PolarHBondContact O-N 3.33Å; Q224-V226 PolarHBondContact O-N 2.87Å; V226-S257 WeakPolarHBondContact O-CA 3.47Å; V226-S257 PolarHBondContact O-N 3.22Å; V226-L258 HydrophobicContact CG1-CD2 3.79Å; V226-L258 HydrophobicContact CG1-CG 4.27Å; V226-R261 HydrophobicContact CG1-CB 4.31Å
227L97.5Very high94.9Very high44 Ų4440.9 Ų40.923%0.2322%0.217CC..Hα-helixtrans-93.8-7.5-165.2-58.5-177.8000116W195 F211 I223 Q224 L258 L278 L280W195-L227 HydrophobicContact CH2-CD1 3.48Å; W195-L227 VanDerWaalsContact CH2-CD1 3.48Å; W195-L227 HydrophobicContact CZ2-CD1 4.47Å; W195-L227 HydrophobicContact CZ3-CD1 3.94Å; F211-L227 HydrophobicContact CZ-CD1 3.95Å; F211-L227 HydrophobicContact CZ-CG 4.13Å; I223-L227 HydrophobicContact CG2-CD1 4.03Å; I223-L227 PolarHBondContact O-N 2.92Å; Q224-L227 PolarHBondContact O-N 3.36Å; L227-L258 HydrophobicContact CD2-CD1 3.72Å; L227-L258 HydrophobicContact CD2-CD2 3.95Å; L227-L258 HydrophobicContact CD2-CG 3.61Å; L227-L278 HydrophobicContact CD1-CB 4.36Å; L227-L278 WeakPolarHBondContact CD1-O 3.47Å; L227-L280 HydrophobicContact CB-CD1 4.12Å; L227-L280 HydrophobicContact CB-CD2 4.08Å; L227-L280 HydrophobicContact CB-CG 4.15Å; L227-L280 HydrophobicContact CD1-CD2 3.69Å; L227-L280 HydrophobicContact CD1-CG 4.21Å
228G95.4Very high94.9Very high6 Ų639.1 Ų39.16%0.06221%0.208CC..  trans88.1-179-169.500000113Q224Q224-G228 VanDerWaalsContact CA-O 3.22Å; Q224-G228 WeakPolarHBondContact CA-O 3.1Å; Q224-G228 VanDerWaalsContact CB-O 3.24Å; Q224-G228 WeakPolarHBondContact CB-O 3.4Å; Q224-G228 VanDerWaalsContact CG-O 3.25Å; Q224-G228 WeakPolarHBondContact CG-O 3.39Å; Q224-G228 WeakPolarHBondContact O-CA 3.3Å; Q224-G228 PolarHBondContact O-N 3.04Å
229P94.8Very high94.8Very high96 Ų9644.1 Ų44.162%0.62323%0.225SC*.SBendtrans-65.6150.1-172.127.9-35.8000113L280P229-L280 VanDerWaalsContact O-CD1 3.3Å; P229-L280 WeakPolarHBondContact O-CD1 3.5Å
230L95Very high94.6Very high9 Ų948 Ų485%0.04725%0.252CS..PPolyproline II helixtrans-64.4146.1175.4-58.8-175.9000112P180 L184 L220 Q224 Q234 M235 F249 L280P180-L230 HydrophobicContact CB-CD2 4.16Å; P180-L230 HydrophobicContact CG-CD2 4.39Å; L184-L230 HydrophobicContact CD1-CD1 4.29Å; L220-L230 HydrophobicContact CD2-CD1 4.15Å; Q224-L230 HydrophobicContact CG-CD2 3.79Å; Q224-L230 HydrophobicContact CG-CG 3.85Å; L230-Q234 HydrophobicContact CB-CB 4.14Å; L230-M235 HydrophobicContact CB-CG 4.06Å; L230-M235 HydrophobicContact CB-SD 3.96Å; L230-M235 HydrophobicContact CD1-SD 4.28Å; L230-M235 HydrophobicContact CG-SD 4.44Å; L230-F249 HydrophobicContact CD1-CE1 4.28Å; L230-F249 HydrophobicContact CD1-CZ 3.71Å; L230-F249 HydrophobicContact CG-CZ 4.34Å; L230-L280 HydrophobicContact CD2-CD2 3.97Å
231P94.8Very high94.2Very high36 Ų3649.6 Ų49.623%0.23426%0.26CS..PPolyproline II helixtrans-51.3149.5171.6-28.734.2000113.8E233 Q234 M235 L280 D281P231-E233 VanDerWaalsContact C-N 3.27Å; P231-E233 PolarHBondContact O-N 3.07Å; P231-E233 VanDerWaalsContact O-N 3.14Å; P231-Q234 WeakPolarHBondContact O-CA 3.4Å; P231-Q234 WeakPolarHBondContact O-CB 3.43Å; P231-Q234 PolarHBondContact O-N 2.83Å; P231-M235 PolarHBondContact O-N 3.1Å; P231-L280 HydrophobicContact CG-CB 3.96Å; P231-D281 HydrophobicContact CG-CB 4.4Å
232S93.8Very high93.9Very high87 Ų8752.3 Ų52.361%0.60828%0.284SS*.Hα-helixtrans-54.7-37-174.8-55.80000114.1M235 K236S232-M235 PolarHBondContact O-N 3.15Å; S232-K236 WeakPolarHBondContact O-CG 3.28Å; S232-K236 PolarHBondContact O-N 3.32Å
233E92.6Very high93.4Very high120 Ų12056.3 Ų56.356%0.56130%0.297SS*.Hα-helixtrans-71.9-32.6177.5-54-41.9110.900112.7P231 K236 L237P231-E233 VanDerWaalsContact C-N 3.27Å; P231-E233 PolarHBondContact O-N 3.07Å; P231-E233 VanDerWaalsContact O-N 3.14Å; E233-K236 IonicContact OE1-NZ 3.13Å; E233-K236 PolarHBondContact OE1-NZ 2.83Å; E233-K236 WeakPolarHBondContact OE2-CD 3.45Å; E233-K236 IonicContact OE2-NZ 2.67Å; E233-K236 PolarHBondContact OE2-NZ 3.3Å; E233-L237 VanDerWaalsContact O-CB 3.32Å; E233-L237 WeakPolarHBondContact O-CB 3.27Å; E233-L237 PolarHBondContact O-N 2.92Å
234Q93.5Very high92.9Very high13 Ų1356.8 Ų56.86%0.06130%0.299CS..Hα-helixtrans-69.7-38.3172.6-69.2-178.613.800111.1P180 L184 L230 P231 L237 F238 L280P180-Q234 VanDerWaalsContact CB-OE1 3.3Å; L184-Q234 HydrophobicContact CD1-CB 3.59Å; L184-Q234 HydrophobicContact CD1-CG 4.05Å; L230-Q234 HydrophobicContact CB-CB 4.14Å; P231-Q234 WeakPolarHBondContact O-CA 3.4Å; P231-Q234 WeakPolarHBondContact O-CB 3.43Å; P231-Q234 PolarHBondContact O-N 2.83Å; Q234-L237 PolarHBondContact O-N 3.06Å; Q234-F238 PolarHBondContact O-N 2.88Å; Q234-L280 PolarHBondContact NE2-O 3.03Å
235M93.6Very high92.5Very high39 Ų3964.1 Ų64.119%0.19233%0.333CS..Hα-helixtrans-67.4-40.1173.4-72.5-55.3-49.900113L230 P231 S232 F238 Y239 F249L230-M235 HydrophobicContact CB-CG 4.06Å; L230-M235 HydrophobicContact CB-SD 3.96Å; L230-M235 HydrophobicContact CD1-SD 4.28Å; L230-M235 HydrophobicContact CG-SD 4.44Å; P231-M235 PolarHBondContact O-N 3.1Å; S232-M235 PolarHBondContact O-N 3.15Å; M235-F238 WeakPolarHBondContact O-CB 3.37Å; M235-F238 PolarHBondContact O-N 2.85Å; M235-Y239 HydrophobicContact CE-CE2 3.65Å; M235-Y239 WeakPolarHBondContact O-CD2 3.48Å; M235-Y239 PolarHBondContact O-N 3.29Å; M235-F249 HydrophobicContact CE-CB 4.37Å; M235-F249 HydrophobicContact CE-CD1 3.53Å; M235-F249 HydrophobicContact CE-CE1 3.9Å; M235-F249 HydrophobicContact CE-CG 4.1Å; M235-F249 HydrophobicContact SD-CD1 3.78Å; M235-F249 HydrophobicContact SD-CE1 3.47Å; M235-F249 WeakPolarHBondContact SD-CE1 3.46Å; M235-F249 HydrophobicContact SD-CZ 4.2Å
236K92.8Very high92Very high122 Ų12263.9 Ų63.953%0.5335%0.354SS..Hα-helixtrans-59.9-47.2170.3-75.9162.3172.3171.90110.9S232 E233 F238 Y239 S240S232-K236 WeakPolarHBondContact O-CG 3.28Å; S232-K236 PolarHBondContact O-N 3.32Å; E233-K236 IonicContact OE1-NZ 3.13Å; E233-K236 PolarHBondContact OE1-NZ 2.83Å; E233-K236 WeakPolarHBondContact OE2-CD 3.45Å; E233-K236 IonicContact OE2-NZ 2.67Å; E233-K236 PolarHBondContact OE2-NZ 3.3Å; K236-F238 VanDerWaalsContact C-N 3.32Å; K236-F238 PolarHBondContact O-N 3.26Å; K236-Y239 PolarHBondContact O-N 3.2Å; K236-S240 WeakPolarHBondContact O-CB 3.49Å; K236-S240 PolarHBondContact O-N 3.49Å; K236-S240 PolarHBondContact O-OG 3.47Å
237L91.2Very high91.6Very high44 Ų4467.4 Ų67.423%0.2337%0.372CS..Hα-helixtrans-58.5-44.7179.6-176.161.4000111.1L184 A186 E233 Q234 Y239 S240 N241L184-L237 HydrophobicContact CB-CD2 3.79Å; L184-L237 HydrophobicContact CB-CG 4.26Å; A186-L237 HydrophobicContact CB-CD2 3.46Å; A186-L237 VanDerWaalsContact CB-CD2 3.46Å; E233-L237 VanDerWaalsContact O-CB 3.32Å; E233-L237 WeakPolarHBondContact O-CB 3.27Å; E233-L237 PolarHBondContact O-N 2.92Å; Q234-L237 PolarHBondContact O-N 3.06Å; L237-Y239 PolarHBondContact O-N 3.47Å; L237-S240 WeakPolarHBondContact CA-OG 3.37Å; L237-S240 PolarHBondContact O-N 3.42Å; L237-S240 PolarHBondContact O-OG 3.33Å; L237-N241 VanDerWaalsContact O-CB 3.3Å; L237-N241 WeakPolarHBondContact O-CB 3.3Å; L237-N241 PolarHBondContact O-N 2.83Å
238F92.6Very high90.9Very high0 Ų076.5 Ų76.50%040%0.403CS..Hα-helixtrans-50.7-54174.7-179.3-94.1000112.6L184 I217 L220 Q234 M235 K236 S240 F244 L247 F249L184-F238 HydrophobicContact CD2-CB 3.73Å; L184-F238 HydrophobicContact CD2-CD2 3.77Å; L184-F238 HydrophobicContact CD2-CG 4.26Å; I217-F238 HydrophobicContact CD1-CE2 3.54Å; I217-F238 HydrophobicContact CD1-CZ 3.85Å; L220-F238 HydrophobicContact CD1-CD2 4.37Å; Q234-F238 PolarHBondContact O-N 2.88Å; M235-F238 WeakPolarHBondContact O-CB 3.37Å; M235-F238 PolarHBondContact O-N 2.85Å; K236-F238 VanDerWaalsContact C-N 3.32Å; K236-F238 PolarHBondContact O-N 3.26Å; F238-S240 PolarHBondContact O-N 3.07Å; F238-F244 HydrophobicContact CD2-CB 4.08Å; F238-F244 AromaticContact CD2-CD2 3.62Å; F238-F244 HydrophobicContact CD2-CD2 3.62Å; F238-F244 HydrophobicContact CD2-CE2 4.21Å; F238-F244 AromaticContact CD2-CG 3.83Å; F238-F244 HydrophobicContact CD2-CG 3.83Å; F238-F244 HydrophobicContact CE1-CB 4.27Å; F238-F244 HydrophobicContact CE2-CB 3.59Å; F238-F244 AromaticContact CE2-CD1 3.98Å; F238-F244 HydrophobicContact CE2-CD1 3.98Å; F238-F244 AromaticContact CE2-CD2 3.82Å; F238-F244 HydrophobicContact CE2-CD2 3.82Å; F238-F244 AromaticContact CE2-CG 3.51Å; F238-F244 HydrophobicContact CE2-CG 3.51Å; F238-F244 HydrophobicContact CG-CD2 4.38Å; F238-F244 HydrophobicContact CZ-CB 3.69Å; F238-F244 HydrophobicContact CZ-CG 4.14Å; F238-L247 HydrophobicContact CZ-CB 4.36Å; F238-F249 HydrophobicContact CD1-CB 4.18Å; F238-F249 HydrophobicContact CD1-CD2 4.17Å; F238-F249 HydrophobicContact CD1-CG 4.38Å; F238-F249 AromaticContact CD2-CD2 3.92Å; F238-F249 HydrophobicContact CD2-CD2 3.92Å; F238-F249 HydrophobicContact CD2-CE2 4.07Å; F238-F249 HydrophobicContact CE1-CB 3.75Å; F238-F249 AromaticContact CE1-CD2 3.91Å; F238-F249 HydrophobicContact CE1-CD2 3.91Å; F238-F249 HydrophobicContact CE1-CG 4.2Å; F238-F249 AromaticContact CE2-CD2 3.62Å; F238-F249 HydrophobicContact CE2-CD2 3.62Å; F238-F249 HydrophobicContact CE2-CE2 4.04Å; F238-F249 HydrophobicContact CG-CD2 4.2Å; F238-F249 HydrophobicContact CZ-CB 4.16Å; F238-F249 AromaticContact CZ-CD2 3.62Å; F238-F249 HydrophobicContact CZ-CD2 3.62Å; F238-F249 HydrophobicContact CZ-CE2 4.48Å; F238-F249 HydrophobicContact CZ-CG 4.33Å
239Y91.6Very high90.4Very high142 Ų14277 Ų7756%0.55740%0.403SS*.Hα-helixtrans-73.2-25.2-178.4-65.8-62.2000114M235 K236 L237M235-Y239 HydrophobicContact CE-CE2 3.65Å; M235-Y239 WeakPolarHBondContact O-CD2 3.48Å; M235-Y239 PolarHBondContact O-N 3.29Å; K236-Y239 PolarHBondContact O-N 3.2Å; L237-Y239 PolarHBondContact O-N 3.47Å
240S90.9Very high89.9Confident82 Ų8274.2 Ų74.257%0.57339%0.385SS*.Hα-helixtrans-82.9-24.3177.571.40000114.1K236 L237 F238 P242K236-S240 WeakPolarHBondContact O-CB 3.49Å; K236-S240 PolarHBondContact O-N 3.49Å; K236-S240 PolarHBondContact O-OG 3.47Å; L237-S240 WeakPolarHBondContact CA-OG 3.37Å; L237-S240 PolarHBondContact O-N 3.42Å; L237-S240 PolarHBondContact O-OG 3.33Å; F238-S240 PolarHBondContact O-N 3.07Å; S240-P242 WeakPolarHBondContact O-CD 3.26Å
241N89Confident89.2Confident33 Ų3377.6 Ų77.618%0.17641%0.414CS..SBendtrans-76.6119.8-176.9-177.2-19.6000110L184 L237 R243 F244L184-N241 PolarHBondContact O-ND2 3.35Å; L237-N241 VanDerWaalsContact O-CB 3.3Å; L237-N241 WeakPolarHBondContact O-CB 3.3Å; L237-N241 PolarHBondContact O-N 2.83Å; N241-R243 PolarHBondContact O-N 2.74Å; N241-R243 VanDerWaalsContact OD1-CB 3.28Å; N241-R243 WeakPolarHBondContact OD1-CB 3.35Å; N241-R243 PolarHBondContact OD1-N 2.8Å; N241-F244 HydrophobicContact CB-CD2 4.01Å; N241-F244 HydrophobicContact CB-CE2 4.34Å; N241-F244 PolarHBondContact O-N 3.5Å
242P88.3Confident88.8Confident111 Ų11177.4 Ų77.472%0.72141%0.413SS*.G310 helixtrans-54.5-27.6179.9-27.636.2000114.5S240 F244 H245S240-P242 WeakPolarHBondContact O-CD 3.26Å; P242-F244 PolarHBondContact O-N 3.08Å; P242-H245 VanDerWaalsContact O-CB 3.31Å; P242-H245 WeakPolarHBondContact O-CB 3.3Å; P242-H245 PolarHBondContact O-N 3.03Å; P242-H245 VanDerWaalsContact O-N 3.1Å
243R86.1Confident88.2Confident102 Ų10279.4 Ų79.439%0.38542%0.416SS..G310 helixtrans-64.3-17.3179.8-165.2163.4178.6-114.2-4.5113.8E170 E216 N241E170-R243 IonicContact OE1-CZ 2.85Å; E170-R243 VanDerWaalsContact OE1-CZ 3.3Å; E170-R243 IonicContact OE1-NE 3.85Å; E170-R243 PolarHBondContact OE1-NE 3.1Å; E170-R243 VanDerWaalsContact OE1-NE 3.11Å; E170-R243 IonicContact OE1-NH2 3.69Å; E170-R243 PolarHBondContact OE1-NH2 3.05Å; E216-R243 VanDerWaalsContact CD-NH1 3.28Å; E216-R243 VanDerWaalsContact CD-NH2 3.28Å; E216-R243 IonicContact OE1-CZ 2.73Å; E216-R243 IonicContact OE1-NH1 2.81Å; E216-R243 PolarHBondContact OE1-NH1 3.46Å; E216-R243 VanDerWaalsContact OE1-NH1 3.13Å; E216-R243 IonicContact OE1-NH2 2.77Å; E216-R243 PolarHBondContact OE1-NH2 2.94Å; E216-R243 IonicContact OE2-CZ 2.76Å; E216-R243 IonicContact OE2-NH1 2.68Å; E216-R243 PolarHBondContact OE2-NH1 3.47Å; E216-R243 IonicContact OE2-NH2 3.23Å; E216-R243 PolarHBondContact OE2-NH2 3.4Å; E216-R243 VanDerWaalsContact OE2-NH2 3.08Å; N241-R243 PolarHBondContact O-N 2.74Å; N241-R243 VanDerWaalsContact OD1-CB 3.28Å; N241-R243 WeakPolarHBondContact OD1-CB 3.35Å; N241-R243 PolarHBondContact OD1-N 2.8Å
244F88.5Confident88Confident10 Ų1081.8 Ų81.84%0.04443%0.427CS..G310 helixtrans-11613.6175.6-47.2-57.8000113.2L184 I217 F238 N241 P242 G246 L247L184-F244 HydrophobicContact CD2-CE2 4.01Å; I217-F244 HydrophobicContact CD1-CD1 3.75Å; I217-F244 HydrophobicContact CD1-CE1 4.21Å; I217-F244 HydrophobicContact CD1-CG 4.47Å; F238-F244 HydrophobicContact CD2-CB 4.08Å; F238-F244 AromaticContact CD2-CD2 3.62Å; F238-F244 HydrophobicContact CD2-CD2 3.62Å; F238-F244 HydrophobicContact CD2-CE2 4.21Å; F238-F244 AromaticContact CD2-CG 3.83Å; F238-F244 HydrophobicContact CD2-CG 3.83Å; F238-F244 HydrophobicContact CE1-CB 4.27Å; F238-F244 HydrophobicContact CE2-CB 3.59Å; F238-F244 AromaticContact CE2-CD1 3.98Å; F238-F244 HydrophobicContact CE2-CD1 3.98Å; F238-F244 AromaticContact CE2-CD2 3.82Å; F238-F244 HydrophobicContact CE2-CD2 3.82Å; F238-F244 AromaticContact CE2-CG 3.51Å; F238-F244 HydrophobicContact CE2-CG 3.51Å; F238-F244 HydrophobicContact CG-CD2 4.38Å; F238-F244 HydrophobicContact CZ-CB 3.69Å; F238-F244 HydrophobicContact CZ-CG 4.14Å; N241-F244 HydrophobicContact CB-CD2 4.01Å; N241-F244 HydrophobicContact CB-CE2 4.34Å; N241-F244 PolarHBondContact O-N 3.5Å; P242-F244 PolarHBondContact O-N 3.08Å; F244-G246 PolarHBondContact O-N 3.1Å; F244-L247 HydrophobicContact CB-CD1 4.4Å; F244-L247 HydrophobicContact CD1-CD1 4.37Å; F244-L247 WeakPolarHBondContact O-CB 3.23Å; F244-L247 PolarHBondContact O-N 3.03Å
245H88Confident87.9Confident160 Ų16083.5 Ų83.574%0.74144%0.439SS*.THydrogen-bonded Turntrans-59.9133.7-177.8-168.480.4000111.8P242 L247P242-H245 VanDerWaalsContact O-CB 3.31Å; P242-H245 WeakPolarHBondContact O-CB 3.3Å; P242-H245 PolarHBondContact O-N 3.03Å; P242-H245 VanDerWaalsContact O-N 3.1Å; H245-L247 PolarHBondContact O-N 2.85Å
246G85.6Confident88Confident77 Ų7785.7 Ų85.779%0.79445%0.449SS*.THydrogen-bonded Turntrans75.7-8.6-175.400000115.5F244F244-G246 PolarHBondContact O-N 3.1Å
247L87.4Confident88.2Confident83 Ų8381.3 Ų81.344%0.43543%0.434SS..PPolyproline II helixtrans-83.2123.1176.8-56.8-177.9000110.7I217 F238 F244 H245I217-L247 HydrophobicContact CD1-CD1 3.79Å; I217-L247 HydrophobicContact CG1-CD1 3.97Å; F238-L247 HydrophobicContact CZ-CB 4.36Å; F244-L247 HydrophobicContact CB-CD1 4.4Å; F244-L247 HydrophobicContact CD1-CD1 4.37Å; F244-L247 WeakPolarHBondContact O-CB 3.23Å; F244-L247 PolarHBondContact O-N 3.03Å; H245-L247 PolarHBondContact O-N 2.85Å
248R84.1Confident88.5Confident234 Ų23479.6 Ų79.688%0.88343%0.425SS*.PPolyproline II helixtrans-80.9122.1171.3-174.3177.7-179.6-177.71.2109.8
249F85.1Confident88.7Confident16 Ų1683.6 Ų83.67%0.0744%0.444CS..PPolyproline II helixtrans-69.1132.8176.2-158.5-118.2000111.3L220 L230 M235 F238L220-F249 HydrophobicContact CB-CE2 3.77Å; L220-F249 HydrophobicContact CB-CZ 3.94Å; L220-F249 HydrophobicContact CD1-CE2 4.09Å; L230-F249 HydrophobicContact CD1-CE1 4.28Å; L230-F249 HydrophobicContact CD1-CZ 3.71Å; L230-F249 HydrophobicContact CG-CZ 4.34Å; M235-F249 HydrophobicContact CE-CB 4.37Å; M235-F249 HydrophobicContact CE-CD1 3.53Å; M235-F249 HydrophobicContact CE-CE1 3.9Å; M235-F249 HydrophobicContact CE-CG 4.1Å; M235-F249 HydrophobicContact SD-CD1 3.78Å; M235-F249 HydrophobicContact SD-CE1 3.47Å; M235-F249 WeakPolarHBondContact SD-CE1 3.46Å; M235-F249 HydrophobicContact SD-CZ 4.2Å; F238-F249 HydrophobicContact CD1-CB 4.18Å; F238-F249 HydrophobicContact CD1-CD2 4.17Å; F238-F249 HydrophobicContact CD1-CG 4.38Å; F238-F249 AromaticContact CD2-CD2 3.92Å; F238-F249 HydrophobicContact CD2-CD2 3.92Å; F238-F249 HydrophobicContact CD2-CE2 4.07Å; F238-F249 HydrophobicContact CE1-CB 3.75Å; F238-F249 AromaticContact CE1-CD2 3.91Å; F238-F249 HydrophobicContact CE1-CD2 3.91Å; F238-F249 HydrophobicContact CE1-CG 4.2Å; F238-F249 AromaticContact CE2-CD2 3.62Å; F238-F249 HydrophobicContact CE2-CD2 3.62Å; F238-F249 HydrophobicContact CE2-CE2 4.04Å; F238-F249 HydrophobicContact CG-CD2 4.2Å; F238-F249 HydrophobicContact CZ-CB 4.16Å; F238-F249 AromaticContact CZ-CD2 3.62Å; F238-F249 HydrophobicContact CZ-CD2 3.62Å; F238-F249 HydrophobicContact CZ-CE2 4.48Å; F238-F249 HydrophobicContact CZ-CG 4.33Å
250P83.1Confident89Confident38 Ų3884.8 Ų84.825%0.24745%0.447CS..PPolyproline II helixtrans-74.7130.6179.130-34.7000111.3I217 F221I217-P250 HydrophobicContact CG2-CG 4.41Å; F221-P250 HydrophobicContact CB-CG 3.67Å; F221-P250 HydrophobicContact CD1-CB 4.42Å; F221-P250 HydrophobicContact CD1-CG 4.08Å; F221-P250 HydrophobicContact CD2-CB 3.76Å; F221-P250 HydrophobicContact CD2-CG 3.52Å; F221-P250 HydrophobicContact CE1-CB 4.45Å; F221-P250 HydrophobicContact CE2-CB 3.81Å; F221-P250 HydrophobicContact CE2-CG 4.1Å; F221-P250 HydrophobicContact CG-CB 4.09Å; F221-P250 HydrophobicContact CG-CG 3.51Å; F221-P250 HydrophobicContact CZ-CB 4.16Å
251A80.1Confident89.3Confident80 Ų8083.2 Ų83.266%0.66143%0.429SS*.PPolyproline II helixtrans-76.4145177.400000111.9
252V86.4Confident89.7Confident32 Ų3281.7 Ų81.719%0.19442%0.42CS..  trans-111.4111172.3175.70000109.2F221 Q224 K225 P255F221-V252 HydrophobicContact CD2-CG2 3.69Å; F221-V252 HydrophobicContact CE2-CG2 3.66Å; Q224-V252 HydrophobicContact CB-CB 4.38Å; Q224-V252 HydrophobicContact CB-CG2 3.71Å; K225-V252 HydrophobicContact CG-CG2 4.49Å; V252-P255 HydrophobicContact CG1-CB 4.3Å
253N81.5Confident90.1Very high129 Ų12983.3 Ų83.369%0.6942%0.422SS*.SBendtrans-82.7-35.9-178.5-62.4-2000112.5
254H88Confident90.6Very high171 Ų17182.4 Ų82.479%0.79245%0.445SS*.SBendtrans-137.788-171.7-58.3-39.2000110.7
255P92.9Very high91Very high48 Ų4885.3 Ų85.331%0.31246%0.46SS..  trans-70.5142.3176.229-34.3000111.8K225 V252 S257 R260K225-P255 CarbonylContact O-C 3.56Å; K225-P255 WeakPolarHBondContact O-CA 3.46Å; V252-P255 HydrophobicContact CG1-CB 4.3Å; P255-S257 PolarHBondContact O-N 2.81Å; P255-R260 PolarHBondContact O-NH1 3.25Å
256Q94.3Very high91.4Very high85 Ų8578.5 Ų78.540%0.39743%0.429SS..  trans-65.9-37.8-177.9-173.4176.41800112.5K225 R260 R261K225-Q256 PolarHBondContact O-N 3.49Å; Q256-R260 HydrophobicContact CG-CB 4.09Å; Q256-R260 VanDerWaalsContact O-CB 3.31Å; Q256-R260 WeakPolarHBondContact O-CB 3.47Å; Q256-R260 VanDerWaalsContact O-CD 3.28Å; Q256-R260 WeakPolarHBondContact O-CD 3.4Å; Q256-R260 VanDerWaalsContact O-CG 3.28Å; Q256-R260 WeakPolarHBondContact O-CG 3.39Å; Q256-R260 PolarHBondContact O-NH1 3.36Å; Q256-R261 HydrophobicContact CG-CB 4.37Å
257S96.7Very high91.9Very high31 Ų3178.7 Ų78.722%0.21741%0.412CS..  trans69.8149.1-163.11100000114.1V226 P255 E259 R260 R261V226-S257 WeakPolarHBondContact O-CA 3.47Å; V226-S257 PolarHBondContact O-N 3.22Å; P255-S257 PolarHBondContact O-N 2.81Å; S257-E259 VanDerWaalsContact C-N 3.26Å; S257-E259 WeakPolarHBondContact CB-OE2 3.3Å; S257-E259 PolarHBondContact O-N 3.34Å; S257-E259 WeakPolarHBondContact OG-CB 3.24Å; S257-E259 PolarHBondContact OG-N 3.49Å; S257-E259 PolarHBondContact OG-OE2 3.49Å; S257-R260 PolarHBondContact O-N 3.23Å; S257-R260 PolarHBondContact OG-N 3.26Å; S257-R261 WeakPolarHBondContact O-CB 3.25Å; S257-R261 PolarHBondContact O-N 2.94Å
258L97.9Very high92.4Very high8 Ų879.2 Ų79.24%0.04242%0.422CS..Hα-helixtrans-64.8-34.1177-70.3171.5000111.3L210 V226 L227 R260 R261 Y262 L271 M274 K275 L278L210-L258 HydrophobicContact CD2-CD2 4.39Å; V226-L258 HydrophobicContact CG1-CD2 3.79Å; V226-L258 HydrophobicContact CG1-CG 4.27Å; L227-L258 HydrophobicContact CD2-CD1 3.72Å; L227-L258 HydrophobicContact CD2-CD2 3.95Å; L227-L258 HydrophobicContact CD2-CG 3.61Å; L258-R260 PolarHBondContact O-N 2.94Å; L258-R261 PolarHBondContact O-N 3.11Å; L258-Y262 HydrophobicContact CD2-CD2 4.35Å; L258-Y262 HydrophobicContact CD2-CE2 4.31Å; L258-Y262 PolarHBondContact O-N 3.41Å; L258-L271 HydrophobicContact CB-CD1 4.03Å; L258-M274 HydrophobicContact CD1-CG 4.12Å; L258-M274 HydrophobicContact CD1-SD 4.25Å; L258-M274 HydrophobicContact CD2-SD 3.88Å; L258-M274 HydrophobicContact CG-SD 4.46Å; L258-K275 HydrophobicContact CD1-CG 4.04Å; L258-L278 HydrophobicContact CD1-CB 4.32Å; L258-L278 HydrophobicContact CD1-CD1 4.2Å; L258-L278 HydrophobicContact CD2-CD1 4.13Å
259E97.9Very high93.1Very high83 Ų8370.7 Ų70.739%0.38840%0.396SS..Hα-helixtrans-56.8-46.1176-59.886.4160.700111.8S257 L263 L271 K275S257-E259 VanDerWaalsContact C-N 3.26Å; S257-E259 WeakPolarHBondContact CB-OE2 3.3Å; S257-E259 PolarHBondContact O-N 3.34Å; S257-E259 WeakPolarHBondContact OG-CB 3.24Å; S257-E259 PolarHBondContact OG-N 3.49Å; S257-E259 PolarHBondContact OG-OE2 3.49Å; E259-L263 WeakPolarHBondContact O-CB 3.11Å; E259-L263 PolarHBondContact O-N 3.4Å; E259-L263 VanDerWaalsContact O-N 3.14Å; E259-L271 HydrophobicContact CG-CD2 4.34Å; E259-K275 VanDerWaalsContact CD-NZ 3.31Å; E259-K275 WeakPolarHBondContact OE1-CE 3.44Å; E259-K275 IonicContact OE1-NZ 2.7Å; E259-K275 PolarHBondContact OE1-NZ 2.93Å
260R97.3Very high93.7Very high168 Ų16870.2 Ų70.263%0.63440%0.395SS*.Hα-helixtrans-77.5-31.7175.7-53.9-169.1-169.5105.7-10.6112.5P255 Q256 S257 L258 Y262P255-R260 PolarHBondContact O-NH1 3.25Å; Q256-R260 HydrophobicContact CG-CB 4.09Å; Q256-R260 VanDerWaalsContact O-CB 3.31Å; Q256-R260 WeakPolarHBondContact O-CB 3.47Å; Q256-R260 VanDerWaalsContact O-CD 3.28Å; Q256-R260 WeakPolarHBondContact O-CD 3.4Å; Q256-R260 VanDerWaalsContact O-CG 3.28Å; Q256-R260 WeakPolarHBondContact O-CG 3.39Å; Q256-R260 PolarHBondContact O-NH1 3.36Å; S257-R260 PolarHBondContact O-N 3.23Å; S257-R260 PolarHBondContact OG-N 3.26Å; L258-R260 PolarHBondContact O-N 2.94Å; R260-Y262 VanDerWaalsContact C-N 3.34Å
261R97Very high94.4Very high48 Ų4869.5 Ų69.518%0.18139%0.389CS..Hα-helixtrans-68.2-30.3178.9176.258.2-172793.9113D206 L210 V226 Q256 S257 L258D206-R261 IonicContact OD1-NH2 2.68Å; D206-R261 IonicContact OD2-CZ 3.61Å; D206-R261 IonicContact OD2-NH1 2.72Å; D206-R261 PolarHBondContact OD2-NH1 3.35Å; D206-R261 IonicContact OD2-NH2 2.73Å; D206-R261 PolarHBondContact OD2-NH2 3.12Å; L210-R261 HydrophobicContact CD1-CG 4.15Å; V226-R261 HydrophobicContact CG1-CB 4.31Å; Q256-R261 HydrophobicContact CG-CB 4.37Å; S257-R261 WeakPolarHBondContact O-CB 3.25Å; S257-R261 PolarHBondContact O-N 2.94Å; L258-R261 PolarHBondContact O-N 3.11Å
262Y97.8Very high95.3Very high1 Ų169.2 Ų69.20%0.00438%0.376CS..SBendtrans-120.315.6-176.6-72.8-72.6000114.5G202 D206 L210 L258 R260 G264 I265 L266 M274G202-Y262 WeakPolarHBondContact CA-OH 3.22Å; D206-Y262 VanDerWaalsContact OD2-CE1 3.28Å; D206-Y262 WeakPolarHBondContact OD2-CE1 3.24Å; L210-Y262 HydrophobicContact CD1-CE2 3.84Å; L210-Y262 HydrophobicContact CD2-CE2 4.42Å; L258-Y262 HydrophobicContact CD2-CD2 4.35Å; L258-Y262 HydrophobicContact CD2-CE2 4.31Å; L258-Y262 PolarHBondContact O-N 3.41Å; R260-Y262 VanDerWaalsContact C-N 3.34Å; Y262-G264 PolarHBondContact O-N 3.48Å; Y262-I265 HydrophobicContact CD1-CB 4.1Å; Y262-I265 HydrophobicContact CD1-CD1 4.21Å; Y262-I265 HydrophobicContact CD1-CG2 3.91Å; Y262-I265 HydrophobicContact CE1-CG2 4.49Å; Y262-I265 PolarHBondContact O-N 2.88Å; Y262-L266 HydrophobicContact CD1-CD1 4.05Å; Y262-L266 HydrophobicContact CD1-CG 4.01Å; Y262-L266 HydrophobicContact CD2-CD1 4.27Å; Y262-L266 HydrophobicContact CG-CD1 3.78Å; Y262-L266 HydrophobicContact CG-CG 4.07Å; Y262-L266 PolarHBondContact O-N 3.27Å; Y262-M274 HydrophobicContact CD2-CE 3.84Å; Y262-M274 HydrophobicContact CD2-SD 3.61Å; Y262-M274 HydrophobicContact CE1-CE 4.4Å; Y262-M274 HydrophobicContact CE2-CE 3.43Å; Y262-M274 VanDerWaalsContact CE2-CE 3.43Å; Y262-M274 HydrophobicContact CE2-SD 3.71Å; Y262-M274 HydrophobicContact CG-CE 4.48Å; Y262-M274 HydrophobicContact CG-SD 4.43Å
263L97.1Very high95.9Very high145 Ų14567.7 Ų67.776%0.75937%0.366SS*.THydrogen-bonded Turntrans-57.4125174-175.461.6000110.6E259 I265E259-L263 WeakPolarHBondContact O-CB 3.11Å; E259-L263 PolarHBondContact O-N 3.4Å; E259-L263 VanDerWaalsContact O-N 3.14Å; L263-I265 PolarHBondContact O-N 3.44Å
264G95.6Very high96.7Very high83 Ų8361.5 Ų61.586%0.85633%0.334SS*.THydrogen-bonded Turntrans76.4-6-17700000115.3Y262Y262-G264 PolarHBondContact O-N 3.48Å
265I96.8Very high97.2Very high71 Ų7156.5 Ų56.536%0.36431%0.309SS..THydrogen-bonded Turntrans-101-51.5177.4-58.3171.2000110.1S205 D206 Y262 L263S205-I265 WeakPolarHBondContact O-CG2 3.44Å; D206-I265 HydrophobicContact CB-CD1 4.15Å; D206-I265 HydrophobicContact CB-CG2 4.21Å; Y262-I265 HydrophobicContact CD1-CB 4.1Å; Y262-I265 HydrophobicContact CD1-CD1 4.21Å; Y262-I265 HydrophobicContact CD1-CG2 3.91Å; Y262-I265 HydrophobicContact CE1-CG2 4.49Å; Y262-I265 PolarHBondContact O-N 2.88Å; L263-I265 PolarHBondContact O-N 3.44Å
266L97Very high97.5Very high18 Ų1855 Ų559%0.09430%0.299CS..SBendtrans-100.6138.7178-67.6-178.1000111.4L201 S205 Y262 L270 L271 M274L201-L266 HydrophobicContact CD2-CD1 4.07Å; L201-L266 HydrophobicContact CD2-CD2 4.05Å; S205-L266 WeakPolarHBondContact OG-CD2 3.32Å; Y262-L266 HydrophobicContact CD1-CD1 4.05Å; Y262-L266 HydrophobicContact CD1-CG 4.01Å; Y262-L266 HydrophobicContact CD2-CD1 4.27Å; Y262-L266 HydrophobicContact CG-CD1 3.78Å; Y262-L266 HydrophobicContact CG-CG 4.07Å; Y262-L266 PolarHBondContact O-N 3.27Å; L266-L270 HydrophobicContact CD2-CB 4.04Å; L266-L270 HydrophobicContact CD2-CD1 4.32Å; L266-L271 HydrophobicContact CB-CB 4.16Å; L266-L271 HydrophobicContact CD1-CB 4.47Å; L266-L271 HydrophobicContact CD1-CD1 4.42Å; L266-M274 HydrophobicContact CD1-CE 3.78Å; L266-M274 HydrophobicContact CD1-SD 3.75Å
267N96.6Very high97.7Very high80 Ų8051 Ų5143%0.42828%0.28SS..  trans-70.6160161.86851.9000110.6V269 L270 L271N267-V269 PolarHBondContact O-N 2.94Å; N267-V269 VanDerWaalsContact O-N 3.15Å; N267-V269 PolarHBondContact OD1-N 2.88Å; N267-L270 PolarHBondContact O-N 3.44Å; N267-L270 PolarHBondContact OD1-N 2.9Å; N267-L271 WeakPolarHBondContact O-CB 3.34Å; N267-L271 PolarHBondContact O-N 3.23Å
268S97.6Very high97.8Very high94 Ų9449.7 Ų49.766%0.65727%0.271SS*.Hα-helixtrans-55.1-34.2-176.849.50000113.9D272S268-D272 WeakPolarHBondContact O-CB 3.46Å; S268-D272 PolarHBondContact O-N 3.43Å
269V97.8Very high97.8Very high56 Ų5652.9 Ų52.934%0.33928%0.284SS..Hα-helixtrans-76.4-36.8-176.6-175.70000112.3N267 L273 H294 P295 T296N267-V269 PolarHBondContact O-N 2.94Å; N267-V269 VanDerWaalsContact O-N 3.15Å; N267-V269 PolarHBondContact OD1-N 2.88Å; V269-L273 PolarHBondContact O-N 3.32Å; V269-H294 PolarHBondContact O-CE1 2.7Å; V269-P295 HydrophobicContact CG1-CB 3.98Å; V269-T296 PolarHBondContact O-OG1 2.96Å
270L97.8Very high97.8Very high6 Ų650 Ų503%0.03127%0.271CS..Hα-helixtrans-72.5-37.9170.9-80.4167.4000111.6L201 L266 N267 L273 M274 T296L201-L270 HydrophobicContact CD1-CD2 4.44Å; L201-L270 HydrophobicContact CD2-CD2 4.42Å; L266-L270 HydrophobicContact CD2-CB 4.04Å; L266-L270 HydrophobicContact CD2-CD1 4.32Å; N267-L270 PolarHBondContact O-N 3.44Å; N267-L270 PolarHBondContact OD1-N 2.9Å; L270-L273 PolarHBondContact O-N 3.31Å; L270-M274 WeakPolarHBondContact O-CB 3.39Å; L270-M274 PolarHBondContact O-N 2.68Å; L270-T296 HydrophobicContact CD2-CG2 3.51Å; L270-T296 HydrophobicContact CG-CG2 4.25Å
271L98.6Very high97.8Very high23 Ų2344.9 Ų44.912%0.1226%0.257CS..Hα-helixtrans-65-38.9176.617960.3000112L258 E259 L266 N267 M274 K275L258-L271 HydrophobicContact CB-CD1 4.03Å; E259-L271 HydrophobicContact CG-CD2 4.34Å; L266-L271 HydrophobicContact CB-CB 4.16Å; L266-L271 HydrophobicContact CD1-CB 4.47Å; L266-L271 HydrophobicContact CD1-CD1 4.42Å; N267-L271 WeakPolarHBondContact O-CB 3.34Å; N267-L271 PolarHBondContact O-N 3.23Å; L271-M274 HydrophobicContact CD1-SD 4.47Å; L271-M274 WeakPolarHBondContact O-CB 3.48Å; L271-M274 PolarHBondContact O-N 2.76Å; L271-K275 WeakPolarHBondContact O-CG 3.22Å; L271-K275 PolarHBondContact O-N 3.04Å
272D98.7Very high97.8Very high73 Ų7344.4 Ų44.439%0.3926%0.26SS..Hα-helixtrans-65.8-44174.4-17236.4000112S268 M274 K275 N276 H294S268-D272 WeakPolarHBondContact O-CB 3.46Å; S268-D272 PolarHBondContact O-N 3.43Å; D272-M274 VanDerWaalsContact C-N 3.3Å; D272-M274 PolarHBondContact O-N 2.63Å; D272-K275 PolarHBondContact O-N 2.89Å; D272-N276 PolarHBondContact O-N 3.13Å; D272-N276 VanDerWaalsContact O-N 3.11Å; D272-N276 PolarHBondContact O-ND2 3.47Å; D272-N276 PolarHBondContact OD1-ND2 3.46Å; D272-H294 IonicContact OD2-CE1 3.11Å; D272-H294 IonicContact OD2-NE2 3.3Å; D272-H294 PolarHBondContact OD2-NE2 2.65Å
273L98.8Very high97.8Very high0 Ų048.5 Ų48.50%029%0.294CS..Hα-helixtrans-57.1-45.5172.1-18060.9000111.2L201 V269 L270 K275 N276 L277 C291 H294 T296 F297L201-L273 HydrophobicContact CD1-CD2 4.01Å; L201-L273 HydrophobicContact CD1-CG 4.26Å; V269-L273 PolarHBondContact O-N 3.32Å; L270-L273 PolarHBondContact O-N 3.31Å; L273-K275 PolarHBondContact O-N 3.42Å; L273-N276 PolarHBondContact O-N 3.34Å; L273-L277 HydrophobicContact CD1-CD1 4.23Å; L273-L277 HydrophobicContact CD1-CG 4.3Å; L273-L277 HydrophobicContact CG-CD1 3.93Å; L273-L277 HydrophobicContact CG-CG 4.44Å; L273-L277 VanDerWaalsContact O-CG 3.31Å; L273-L277 WeakPolarHBondContact O-CG 3.36Å; L273-L277 PolarHBondContact O-N 2.94Å; L273-C291 HydrophobicContact CD1-CB 4.24Å; L273-H294 HydrophobicContact CD1-CB 4.32Å; L273-T296 HydrophobicContact CD2-CG2 3.97Å; L273-F297 HydrophobicContact CD2-CE2 3.53Å; L273-F297 HydrophobicContact CD2-CZ 3.48Å; L273-F297 VanDerWaalsContact CD2-CZ 3.48Å
274M98.8Very high97.8Very high0 Ų046.3 Ų46.30%028%0.283CS..Hα-helixtrans-59.8-45.1177.3179.3-171.5-101.900112.3L201 L258 Y262 L266 L270 L271 D272 N276 L277 L278L201-M274 HydrophobicContact CD2-CB 4.44Å; L201-M274 HydrophobicContact CD2-CE 4.1Å; L258-M274 HydrophobicContact CD1-CG 4.12Å; L258-M274 HydrophobicContact CD1-SD 4.25Å; L258-M274 HydrophobicContact CD2-SD 3.88Å; L258-M274 HydrophobicContact CG-SD 4.46Å; Y262-M274 HydrophobicContact CD2-CE 3.84Å; Y262-M274 HydrophobicContact CD2-SD 3.61Å; Y262-M274 HydrophobicContact CE1-CE 4.4Å; Y262-M274 HydrophobicContact CE2-CE 3.43Å; Y262-M274 VanDerWaalsContact CE2-CE 3.43Å; Y262-M274 HydrophobicContact CE2-SD 3.71Å; Y262-M274 HydrophobicContact CG-CE 4.48Å; Y262-M274 HydrophobicContact CG-SD 4.43Å; L266-M274 HydrophobicContact CD1-CE 3.78Å; L266-M274 HydrophobicContact CD1-SD 3.75Å; L270-M274 WeakPolarHBondContact O-CB 3.39Å; L270-M274 PolarHBondContact O-N 2.68Å; L271-M274 HydrophobicContact CD1-SD 4.47Å; L271-M274 WeakPolarHBondContact O-CB 3.48Å; L271-M274 PolarHBondContact O-N 2.76Å; D272-M274 VanDerWaalsContact C-N 3.3Å; D272-M274 PolarHBondContact O-N 2.63Å; M274-N276 VanDerWaalsContact C-N 3.27Å; M274-N276 PolarHBondContact O-N 3.21Å; M274-L277 PolarHBondContact O-N 2.91Å; M274-L278 HydrophobicContact CG-CD1 3.76Å; M274-L278 HydrophobicContact CG-CG 4.38Å; M274-L278 WeakPolarHBondContact O-CB 3.26Å; M274-L278 PolarHBondContact O-N 3.32Å; M274-L278 HydrophobicContact SD-CD1 4.46Å
275K98.8Very high98Very high65 Ų6542.6 Ų42.628%0.28324%0.243SC..Hα-helixtrans-60.1-36.3177.1-72.9179-163.6-171.70112.8L258 E259 L271 D272 L273 K279L258-K275 HydrophobicContact CD1-CG 4.04Å; E259-K275 VanDerWaalsContact CD-NZ 3.31Å; E259-K275 WeakPolarHBondContact OE1-CE 3.44Å; E259-K275 IonicContact OE1-NZ 2.7Å; E259-K275 PolarHBondContact OE1-NZ 2.93Å; L271-K275 WeakPolarHBondContact O-CG 3.22Å; L271-K275 PolarHBondContact O-N 3.04Å; D272-K275 PolarHBondContact O-N 2.89Å; L273-K275 PolarHBondContact O-N 3.42Å; K275-K279 WeakPolarHBondContact O-CG 3.13Å; K275-K279 PolarHBondContact O-N 3.46Å
276N98.8Very high98.1Very high17 Ų1742.7 Ų42.79%0.09124%0.239CC..Hα-helixtrans-84.1-16.3179.9-64.5-59.4000113.3D272 L273 M274 K279 R285 Y286D272-N276 PolarHBondContact O-N 3.13Å; D272-N276 VanDerWaalsContact O-N 3.11Å; D272-N276 PolarHBondContact O-ND2 3.47Å; D272-N276 PolarHBondContact OD1-ND2 3.46Å; L273-N276 PolarHBondContact O-N 3.34Å; M274-N276 VanDerWaalsContact C-N 3.27Å; M274-N276 PolarHBondContact O-N 3.21Å; N276-K279 VanDerWaalsContact OD1-CE 3.3Å; N276-K279 WeakPolarHBondContact OD1-CE 3.25Å; N276-R285 WeakPolarHBondContact O-CA 3.15Å; N276-Y286 HydrophobicContact CB-CD1 4.05Å; N276-Y286 HydrophobicContact CB-CD2 3.49Å; N276-Y286 VanDerWaalsContact CB-CD2 3.49Å; N276-Y286 HydrophobicContact CB-CE1 4.12Å; N276-Y286 HydrophobicContact CB-CE2 3.57Å; N276-Y286 HydrophobicContact CB-CG 3.74Å; N276-Y286 PolarHBondContact O-N 3.36Å
277L98.8Very high98.1Very high0 Ų045.1 Ų45.10%025%0.252CS..Hα-helixtrans-81.7-35.5166.1-69.9169.1000112.4M194 V197 L201 L273 M274 R285M194-L277 HydrophobicContact CB-CD2 4.15Å; M194-L277 HydrophobicContact CE-CD2 3.68Å; V197-L277 HydrophobicContact CB-CD1 4.41Å; V197-L277 HydrophobicContact CB-CD2 4.47Å; V197-L277 HydrophobicContact CG1-CD1 3.94Å; L201-L277 HydrophobicContact CD1-CD1 4.21Å; L273-L277 HydrophobicContact CD1-CD1 4.23Å; L273-L277 HydrophobicContact CD1-CG 4.3Å; L273-L277 HydrophobicContact CG-CD1 3.93Å; L273-L277 HydrophobicContact CG-CG 4.44Å; L273-L277 VanDerWaalsContact O-CG 3.31Å; L273-L277 WeakPolarHBondContact O-CG 3.36Å; L273-L277 PolarHBondContact O-N 2.94Å; M274-L277 PolarHBondContact O-N 2.91Å; L277-R285 WeakPolarHBondContact O-CD 3.36Å
278L98.8Very high98.2Very high5 Ų541.6 Ų41.63%0.02623%0.234CC..SBendtrans-100.628.2-175.4-63.7-179.7000114W195 L210 F211 L227 L258 M274 L280W195-L278 HydrophobicContact CD2-CD2 3.8Å; W195-L278 HydrophobicContact CE3-CD2 3.85Å; W195-L278 HydrophobicContact CG-CD2 4.3Å; W195-L278 HydrophobicContact CH2-CD2 4.47Å; W195-L278 HydrophobicContact CZ2-CD2 4.4Å; W195-L278 HydrophobicContact CZ3-CB 4.37Å; W195-L278 HydrophobicContact CZ3-CD2 4.2Å; W195-L278 WeakPolarHBondContact O-CD2 3.47Å; L210-L278 HydrophobicContact CD2-CD1 3.5Å; L210-L278 VanDerWaalsContact CD2-CD1 3.5Å; F211-L278 HydrophobicContact CE2-CD1 4.43Å; F211-L278 HydrophobicContact CE2-CD2 4.33Å; F211-L278 HydrophobicContact CZ-CD1 4.49Å; L227-L278 HydrophobicContact CD1-CB 4.36Å; L227-L278 WeakPolarHBondContact CD1-O 3.47Å; L258-L278 HydrophobicContact CD1-CB 4.32Å; L258-L278 HydrophobicContact CD1-CD1 4.2Å; L258-L278 HydrophobicContact CD2-CD1 4.13Å; M274-L278 HydrophobicContact CG-CD1 3.76Å; M274-L278 HydrophobicContact CG-CG 4.38Å; M274-L278 WeakPolarHBondContact O-CB 3.26Å; M274-L278 PolarHBondContact O-N 3.32Å; M274-L278 HydrophobicContact SD-CD1 4.46Å; L278-L280 PolarHBondContact O-N 3.43Å
279K98.6Very high98.2Very high75 Ų7543.4 Ų43.433%0.32623%0.232SC..  trans-60.8132.8167.4-62-76.5-172157.60109.2K275 N276 D284 R285K275-K279 WeakPolarHBondContact O-CG 3.13Å; K275-K279 PolarHBondContact O-N 3.46Å; N276-K279 VanDerWaalsContact OD1-CE 3.3Å; N276-K279 WeakPolarHBondContact OD1-CE 3.25Å; K279-D284 HydrophobicContact CB-CB 3.74Å; K279-D284 HydrophobicContact CD-CB 4.08Å; K279-D284 HydrophobicContact CG-CB 3.8Å; K279-R285 HydrophobicContact CB-CG 3.79Å; K279-R285 PolarHBondContact O-NE 3.24Å; K279-R285 PolarHBondContact O-NH2 3.35Å
280L98Very high98.2Very high22 Ų2245.7 Ų45.712%0.11524%0.238CC..SBendtrans-65.1-42.4179.4-70172.8000111P180 W195 I223 L227 P229 L230 P231 Q234 L278 R285P180-L280 HydrophobicContact CG-CD2 4.04Å; W195-L280 HydrophobicContact CH2-CD2 4Å; W195-L280 HydrophobicContact CZ3-CD2 4.24Å; I223-L280 HydrophobicContact CG2-CD2 3.71Å; L227-L280 HydrophobicContact CB-CD1 4.12Å; L227-L280 HydrophobicContact CB-CD2 4.08Å; L227-L280 HydrophobicContact CB-CG 4.15Å; L227-L280 HydrophobicContact CD1-CD2 3.69Å; L227-L280 HydrophobicContact CD1-CG 4.21Å; P229-L280 VanDerWaalsContact O-CD1 3.3Å; P229-L280 WeakPolarHBondContact O-CD1 3.5Å; L230-L280 HydrophobicContact CD2-CD2 3.97Å; P231-L280 HydrophobicContact CG-CB 3.96Å; Q234-L280 PolarHBondContact NE2-O 3.03Å; L278-L280 PolarHBondContact O-N 3.43Å; L280-R285 PolarHBondContact O-NH2 3.04Å
281D97Very high98.3Very high61 Ų6145.4 Ų45.433%0.32624%0.237SC..SBendtrans-70.5127.8171.3-161.6-63.7000111P231 A283 D284P231-D281 HydrophobicContact CG-CB 4.4Å; D281-A283 VanDerWaalsContact C-N 3.26Å; D281-A283 PolarHBondContact O-N 3.46Å; D281-A283 VanDerWaalsContact OD1-CB 3.29Å; D281-A283 WeakPolarHBondContact OD1-CB 3.37Å; D281-A283 PolarHBondContact OD1-N 3.27Å; D281-D284 HydrophobicContact CB-CB 4.36Å; D281-D284 PolarHBondContact O-N 2.73Å
282P96.7Very high98.2Very high38 Ų3845.4 Ų45.425%0.24724%0.237CC..SBendtrans-71.6-11.6179.330.3-37000114.8E181 S191E181-P282 HydrophobicContact CG-CB 4.21Å; E181-P282 HydrophobicContact CG-CG 4.15Å; S191-P282 WeakPolarHBondContact CB-O 3.38Å; S191-P282 PolarHBondContact OG-O 3.02Å
283A97Very high98.1Very high87 Ų8746 Ų4672%0.71924%0.24SC*.SBendtrans-84.5-30174.400000112.7D281 R285D281-A283 VanDerWaalsContact C-N 3.26Å; D281-A283 PolarHBondContact O-N 3.46Å; D281-A283 VanDerWaalsContact OD1-CB 3.29Å; D281-A283 WeakPolarHBondContact OD1-CB 3.37Å; D281-A283 PolarHBondContact OD1-N 3.27Å; A283-R285 VanDerWaalsContact C-N 3.31Å; A283-R285 PolarHBondContact O-N 2.77Å
284D98Very high98.1Very high99 Ų9946.6 Ų46.653%0.52924%0.243SC..SBendtrans-75.8-15.7178.2-83.1-5.2000113.6K279 D281K279-D284 HydrophobicContact CB-CB 3.74Å; K279-D284 HydrophobicContact CD-CB 4.08Å; K279-D284 HydrophobicContact CG-CB 3.8Å; D281-D284 HydrophobicContact CB-CB 4.36Å; D281-D284 PolarHBondContact O-N 2.73Å
285R98.5Very high98.1Very high5 Ų550.4 Ų50.42%0.01927%0.268CS..SBendtrans-70.8134.7-176.2-67.5-179.1-155.3138.715.2111.5E181 S191 N276 L277 K279 L280 A283 L287E181-R285 IonicContact OE1-CZ 2.69Å; E181-R285 IonicContact OE1-NH1 2.75Å; E181-R285 PolarHBondContact OE1-NH1 3.08Å; E181-R285 IonicContact OE1-NH2 3.79Å; E181-R285 IonicContact OE2-CZ 3.18Å; E181-R285 IonicContact OE2-NH1 3.2Å; E181-R285 PolarHBondContact OE2-NH1 3.47Å; E181-R285 IonicContact OE2-NH2 3.25Å; E181-R285 PolarHBondContact OE2-NH2 2.96Å; S191-R285 PolarHBondContact O-NH1 3.11Å; N276-R285 WeakPolarHBondContact O-CA 3.15Å; L277-R285 WeakPolarHBondContact O-CD 3.36Å; K279-R285 HydrophobicContact CB-CG 3.79Å; K279-R285 PolarHBondContact O-NE 3.24Å; K279-R285 PolarHBondContact O-NH2 3.35Å; L280-R285 PolarHBondContact O-NH2 3.04Å; A283-R285 VanDerWaalsContact C-N 3.31Å; A283-R285 PolarHBondContact O-N 2.77Å; R285-L287 PolarHBondContact O-N 2.91Å
286Y98.8Very high98Very high72 Ų7247.7 Ų47.728%0.28226%0.257SS..PPolyproline II helixtrans-61.4129.2169.1-73.7-2.7000110.7N276 Q290 C291 H294N276-Y286 HydrophobicContact CB-CD1 4.05Å; N276-Y286 HydrophobicContact CB-CD2 3.49Å; N276-Y286 VanDerWaalsContact CB-CD2 3.49Å; N276-Y286 HydrophobicContact CB-CE1 4.12Å; N276-Y286 HydrophobicContact CB-CE2 3.57Å; N276-Y286 HydrophobicContact CB-CG 3.74Å; N276-Y286 PolarHBondContact O-N 3.36Å; Y286-Q290 HydrophobicContact CD1-CB 4.39Å; Y286-Q290 HydrophobicContact CD2-CB 4.38Å; Y286-Q290 HydrophobicContact CG-CB 4.02Å; Y286-C291 WeakPolarHBondContact CB-SG 3.5Å; Y286-H294 AromaticContact CE2-CD2 3.9Å
287L98.6Very high97.9Very high69 Ų6946.9 Ų46.936%0.36125%0.252SS..PPolyproline II helixtrans-84.9166.6169.2-62.5-176.6000110.6K190 M194 R285 E289 Q290 C291K190-L287 HydrophobicContact CB-CD2 4.13Å; M194-L287 HydrophobicContact CG-CD2 4.16Å; R285-L287 PolarHBondContact O-N 2.91Å; L287-E289 VanDerWaalsContact C-N 3.28Å; L287-E289 PolarHBondContact O-N 3.39Å; L287-Q290 WeakPolarHBondContact O-CB 3.36Å; L287-Q290 PolarHBondContact O-N 2.74Å; L287-C291 PolarHBondContact O-N 2.79Å; L287-C291 PolarHBondContact O-SG 3.42Å
288T98.4Very high97.6Very high7 Ų752.4 Ų52.44%0.04328%0.278CS..Hα-helixtrans-50.3-39.4-168.954.10000115.1I120 I123 H124 M194 C291 L292I120-T288 HydrophobicContact CG2-CG2 4.1Å; I123-T288 HydrophobicContact CB-CG2 4.19Å; I123-T288 HydrophobicContact CG2-CG2 3.73Å; H124-T288 HydrophobicContact CB-CG2 4.17Å; H124-T288 PolarHBondContact ND1-OG1 2.82Å; M194-T288 HydrophobicContact CE-CG2 3.94Å; M194-T288 HydrophobicContact SD-CG2 3.46Å; M194-T288 WeakPolarHBondContact SD-CG2 3.35Å; T288-C291 PolarHBondContact O-N 2.99Å; T288-L292 WeakPolarHBondContact O-CB 3.46Å; T288-L292 VanDerWaalsContact O-CG 3.23Å; T288-L292 WeakPolarHBondContact O-CG 3.38Å; T288-L292 PolarHBondContact O-N 3.08Å
289E97.4Very high97.1Very high131 Ų13156.2 Ų56.261%0.61230%0.302SS*.Hα-helixtrans-68.9-37.9178.4-176.2170.3-177.600113.4L287 N293L287-E289 VanDerWaalsContact C-N 3.28Å; L287-E289 PolarHBondContact O-N 3.39Å; E289-N293 WeakPolarHBondContact O-CB 3.5Å; E289-N293 PolarHBondContact O-N 2.91Å; E289-N293 PolarHBondContact O-ND2 3.13Å
290Q98.1Very high96.7Very high104 Ų10453.6 Ų53.649%0.48629%0.291SS..Hα-helixtrans-66.4-44.8173.2-67.3163.2-51.300109.9Y286 L287 N293 H294Y286-Q290 HydrophobicContact CD1-CB 4.39Å; Y286-Q290 HydrophobicContact CD2-CB 4.38Å; Y286-Q290 HydrophobicContact CG-CB 4.02Å; L287-Q290 WeakPolarHBondContact O-CB 3.36Å; L287-Q290 PolarHBondContact O-N 2.74Å; Q290-N293 PolarHBondContact O-N 3.03Å; Q290-H294 PolarHBondContact O-N 3.31Å; Q290-H294 VanDerWaalsContact O-N 3.15Å
291C98.5Very high96.3Very high0 Ų055.4 Ų55.40%030%0.296CS..Hα-helixtrans-60.7-47176.5-61.40000112.5I120 M194 L273 Y286 L287 T288 N293 H294 F297I120-C291 HydrophobicContact CD1-CB 4.01Å; I120-C291 HydrophobicContact CG2-CB 4.05Å; M194-C291 HydrophobicContact CE-CB 4.34Å; M194-C291 VanDerWaalsContact CE-SG 3.51Å; L273-C291 HydrophobicContact CD1-CB 4.24Å; Y286-C291 WeakPolarHBondContact CB-SG 3.5Å; L287-C291 PolarHBondContact O-N 2.79Å; L287-C291 PolarHBondContact O-SG 3.42Å; T288-C291 PolarHBondContact O-N 2.99Å; C291-N293 PolarHBondContact O-N 3.01Å; C291-H294 WeakPolarHBondContact O-CB 3.45Å; C291-H294 PolarHBondContact O-N 3.15Å; C291-H294 VanDerWaalsContact O-N 3.08Å; C291-F297 WeakPolarHBondContact O-CD2 3.39Å; C291-F297 WeakPolarHBondContact O-CE2 3.5Å
292L97.6Very high95.9Very high24 Ų2457.8 Ų57.813%0.12631%0.308CS..Hα-helixtrans-63.9-28.2179.1-71.3168.7000112.5Y117 I120 K121 H124 T288 R301Y117-L292 HydrophobicContact CD2-CD2 3.7Å; Y117-L292 HydrophobicContact CE2-CD2 3.49Å; Y117-L292 VanDerWaalsContact CE2-CD2 3.49Å; I120-L292 HydrophobicContact CB-CD2 4.17Å; I120-L292 HydrophobicContact CG2-CD1 4.28Å; I120-L292 HydrophobicContact CG2-CD2 3.8Å; I120-L292 HydrophobicContact CG2-CG 3.65Å; K121-L292 HydrophobicContact CG-CD2 3.96Å; H124-L292 HydrophobicContact CB-CD1 4.22Å; T288-L292 WeakPolarHBondContact O-CB 3.46Å; T288-L292 VanDerWaalsContact O-CG 3.23Å; T288-L292 WeakPolarHBondContact O-CG 3.38Å; T288-L292 PolarHBondContact O-N 3.08Å; L292-R301 WeakPolarHBondContact O-CD 3.37Å; L292-R301 PolarHBondContact O-NE 3.34Å; L292-R301 VanDerWaalsContact O-NE 3.14Å
293N97.3Very high95.4Very high84 Ų8461.3 Ų61.345%0.44932%0.324SS..Hα-helixtrans-85.3-6.7176-75.1-58.3000114.5E289 Q290 C291 R301E289-N293 WeakPolarHBondContact O-CB 3.5Å; E289-N293 PolarHBondContact O-N 2.91Å; E289-N293 PolarHBondContact O-ND2 3.13Å; Q290-N293 PolarHBondContact O-N 3.03Å; C291-N293 PolarHBondContact O-N 3.01Å; N293-R301 PolarHBondContact O-NH2 3Å; N293-R301 PolarHBondContact OD1-NH1 2.87Å
294H98.4Very high94.9Very high13 Ų1361.7 Ų61.76%0.0631%0.314CS..SBendtrans-59.8149.9179-157.9-106.7000112.5V269 D272 L273 Y286 Q290 C291 T296 F297V269-H294 PolarHBondContact O-CE1 2.7Å; D272-H294 IonicContact OD2-CE1 3.11Å; D272-H294 IonicContact OD2-NE2 3.3Å; D272-H294 PolarHBondContact OD2-NE2 2.65Å; L273-H294 HydrophobicContact CD1-CB 4.32Å; Y286-H294 AromaticContact CE2-CD2 3.9Å; Q290-H294 PolarHBondContact O-N 3.31Å; Q290-H294 VanDerWaalsContact O-N 3.15Å; C291-H294 WeakPolarHBondContact O-CB 3.45Å; C291-H294 PolarHBondContact O-N 3.15Å; C291-H294 VanDerWaalsContact O-N 3.08Å; H294-T296 PolarHBondContact ND1-OG1 3.24Å; H294-T296 PolarHBondContact O-N 3.18Å; H294-T296 VanDerWaalsContact O-N 3.1Å; H294-F297 PolarHBondContact O-N 2.9Å; H294-F297 VanDerWaalsContact O-N 3.08Å
295P97.7Very high93.9Very high80 Ų8066.3 Ų66.352%0.51932%0.324SS..G310 helixtrans-53.8-30.8177.7-29.537000114.2V269 F297 Q298V269-P295 HydrophobicContact CG1-CB 3.98Å; P295-F297 PolarHBondContact O-N 2.63Å; P295-Q298 WeakPolarHBondContact O-CB 3.28Å; P295-Q298 PolarHBondContact O-N 2.79Å; P295-Q298 VanDerWaalsContact O-N 3.1Å
296T97.4Very high91.8Very high8 Ų869.6 Ų69.65%0.04935%0.348CS..G310 helixtrans-47.1-36.3174.3-48.30000113.7K113 V269 L270 L273 H294K113-T296 WeakPolarHBondContact CD-O 3.15Å; K113-T296 HydrophobicContact CG-CG2 4.19Å; V269-T296 PolarHBondContact O-OG1 2.96Å; L270-T296 HydrophobicContact CD2-CG2 3.51Å; L270-T296 HydrophobicContact CG-CG2 4.25Å; L273-T296 HydrophobicContact CD2-CG2 3.97Å; H294-T296 PolarHBondContact ND1-OG1 3.24Å; H294-T296 PolarHBondContact O-N 3.18Å; H294-T296 VanDerWaalsContact O-N 3.1Å
297F96.9Very high89.5Confident0 Ų071.3 Ų71.30%037%0.368CS..G310 helixtrans-114.921.2-174.6-48.1-61.1000113.1K113 I116 Y117 I120 L273 C291 H294 P295 T299 Q300 R301K113-F297 HydrophobicContact CG-CD1 4.21Å; K113-F297 HydrophobicContact CG-CE1 4.21Å; K113-F297 WeakPolarHBondContact O-CE1 3.19Å; I116-F297 HydrophobicContact CG2-CZ 3.89Å; Y117-F297 HydrophobicContact CD2-CB 3.67Å; Y117-F297 AromaticContact CD2-CD1 3.66Å; Y117-F297 HydrophobicContact CD2-CD1 3.66Å; Y117-F297 HydrophobicContact CD2-CD2 4.17Å; Y117-F297 HydrophobicContact CD2-CE1 4.37Å; Y117-F297 AromaticContact CD2-CG 3.55Å; Y117-F297 HydrophobicContact CD2-CG 3.55Å; Y117-F297 HydrophobicContact CE2-CB 3.86Å; Y117-F297 HydrophobicContact CE2-CG 4.22Å; Y117-F297 HydrophobicContact CG-CD1 4.07Å; Y117-F297 HydrophobicContact CG-CG 4.41Å; I120-F297 HydrophobicContact CD1-CE2 3.82Å; I120-F297 HydrophobicContact CD1-CZ 3.93Å; L273-F297 HydrophobicContact CD2-CE2 3.53Å; L273-F297 HydrophobicContact CD2-CZ 3.48Å; L273-F297 VanDerWaalsContact CD2-CZ 3.48Å; C291-F297 WeakPolarHBondContact O-CD2 3.39Å; C291-F297 WeakPolarHBondContact O-CE2 3.5Å; H294-F297 PolarHBondContact O-N 2.9Å; H294-F297 VanDerWaalsContact O-N 3.08Å; P295-F297 PolarHBondContact O-N 2.63Å; F297-T299 VanDerWaalsContact C-N 3.3Å; F297-T299 PolarHBondContact O-N 3.02Å; F297-Q300 HydrophobicContact CB-CB 4.24Å; F297-Q300 PolarHBondContact O-N 3.41Å; F297-R301 WeakPolarHBondContact O-CB 3.46Å; F297-R301 WeakPolarHBondContact O-CG 3.2Å; F297-R301 PolarHBondContact O-N 3.09Å
298Q91.9Very high87.1Confident116 Ų11672.4 Ų72.454%0.54238%0.382SS..Hα-helixtrans-59-43.4173.5-174.5170.8-8.500111P295 L302P295-Q298 WeakPolarHBondContact O-CB 3.28Å; P295-Q298 PolarHBondContact O-N 2.79Å; P295-Q298 VanDerWaalsContact O-N 3.1Å; Q298-L302 WeakPolarHBondContact O-CG 3.49Å; Q298-L302 PolarHBondContact O-N 2.82Å
299T87.6Confident84.6Confident85 Ų8583.8 Ų83.852%0.52142%0.424SS..Hα-helixtrans-65.4-47.9176.6-46.70000112.1F297 R301 L302 L303F297-T299 VanDerWaalsContact C-N 3.3Å; F297-T299 PolarHBondContact O-N 3.02Å; T299-R301 PolarHBondContact O-N 2.91Å; T299-L302 WeakPolarHBondContact O-CB 3.4Å; T299-L302 PolarHBondContact O-N 2.88Å; T299-L302 VanDerWaalsContact O-N 3.08Å; T299-L303 PolarHBondContact O-N 3.25Å
300Q90Very high82.3Confident21 Ų2183.1 Ų83.110%0.09843%0.434CS..Hα-helixtrans-56.8-46.1176.2-81.871.912.500112.1Y117 F297 L302 L303 D304Y117-Q300 HydrophobicContact CD1-CB 3.73Å; Y117-Q300 HydrophobicContact CD1-CG 3.67Å; Y117-Q300 HydrophobicContact CD2-CB 3.97Å; Y117-Q300 HydrophobicContact CD2-CG 4.28Å; Y117-Q300 HydrophobicContact CE1-CB 3.63Å; Y117-Q300 HydrophobicContact CE1-CG 4.09Å; Y117-Q300 HydrophobicContact CE2-CB 3.88Å; Y117-Q300 HydrophobicContact CG-CB 3.89Å; Y117-Q300 HydrophobicContact CG-CG 3.78Å; F297-Q300 HydrophobicContact CB-CB 4.24Å; F297-Q300 PolarHBondContact O-N 3.41Å; Q300-L302 PolarHBondContact O-N 3.43Å; Q300-L303 PolarHBondContact O-N 2.69Å; Q300-L303 VanDerWaalsContact O-N 3.12Å; Q300-D304 PolarHBondContact O-N 3.39Å
301R90.3Very high80Confident59 Ų5981.7 Ų81.722%0.22344%0.44CS..Hα-helixtrans-62.5-26.9176.8-77.3-174.9-67.6161.4-0.6113.6Y117 L292 N293 F297 T299 R305Y117-R301 HydrophobicContact CE2-CG 4.49Å; L292-R301 WeakPolarHBondContact O-CD 3.37Å; L292-R301 PolarHBondContact O-NE 3.34Å; L292-R301 VanDerWaalsContact O-NE 3.14Å; N293-R301 PolarHBondContact O-NH2 3Å; N293-R301 PolarHBondContact OD1-NH1 2.87Å; F297-R301 WeakPolarHBondContact O-CB 3.46Å; F297-R301 WeakPolarHBondContact O-CG 3.2Å; F297-R301 PolarHBondContact O-N 3.09Å; T299-R301 PolarHBondContact O-N 2.91Å; R301-R305 VanDerWaalsContact O-CB 3.26Å; R301-R305 WeakPolarHBondContact O-CB 3.46Å; R301-R305 WeakPolarHBondContact O-CD 3.24Å; R301-R305 WeakPolarHBondContact O-CG 3.38Å; R301-R305 PolarHBondContact O-N 2.97Å
302L88.6Confident77.6Confident112 Ų11291.5 Ų91.559%0.58648%0.482SS*.Hα-helixtrans-76.3-37.9174-69.9169.2000111.7Q298 T299 Q300 R305 S306Q298-L302 WeakPolarHBondContact O-CG 3.49Å; Q298-L302 PolarHBondContact O-N 2.82Å; T299-L302 WeakPolarHBondContact O-CB 3.4Å; T299-L302 PolarHBondContact O-N 2.88Å; T299-L302 VanDerWaalsContact O-N 3.08Å; Q300-L302 PolarHBondContact O-N 3.43Å; L302-R305 PolarHBondContact O-N 3.07Å; L302-S306 PolarHBondContact O-N 2.98Å; L302-S306 VanDerWaalsContact O-N 3.13Å
303L87.1Confident74.8Confident112 Ų112102 Ų10259%0.58652%0.52SS*.Hα-helixtrans-65-51.8173.7-64.7170.8000111.3T299 Q300 R305 S306T299-L303 PolarHBondContact O-N 3.25Å; Q300-L303 PolarHBondContact O-N 2.69Å; Q300-L303 VanDerWaalsContact O-N 3.12Å; L303-R305 PolarHBondContact O-N 3.38Å; L303-S306 PolarHBondContact O-N 2.93Å; L303-S306 PolarHBondContact O-OG 3.06Å
304D85.1Confident72Confident95 Ų95107 Ų10751%0.50854%0.538SS..Hα-helixtrans-57-29.4175.4-93.141.2000112.8Y117 K121 Q300Y117-D304 PolarHBondContact OH-OD2 2.98Å; K121-D304 IonicContact NZ-OD1 2.7Å; K121-D304 IonicContact NZ-OD2 2.68Å; K121-D304 PolarHBondContact NZ-OD2 2.84Å; Q300-D304 PolarHBondContact O-N 3.39Å
305R77.8Confident69.2Low195 Ų195112.4 Ų112.474%0.73657%0.574SS**Hα-helixtrans-84.7-14.6176.3-78.7176.3176.2-161.1-1.2114.1R301 L302 L303 P307R301-R305 VanDerWaalsContact O-CB 3.26Å; R301-R305 WeakPolarHBondContact O-CB 3.46Å; R301-R305 WeakPolarHBondContact O-CD 3.24Å; R301-R305 WeakPolarHBondContact O-CG 3.38Å; R301-R305 PolarHBondContact O-N 2.97Å; L302-R305 PolarHBondContact O-N 3.07Å; L303-R305 PolarHBondContact O-N 3.38Å; R305-P307 VanDerWaalsContact O-CD 3.22Å; R305-P307 WeakPolarHBondContact O-CD 3.18Å
306S54.1Low66.1Low75 Ų75118.9 Ų118.952%0.52459%0.589SS.*SBendtrans-80.7111.7-178.470.30000110.3L302 L303L302-S306 PolarHBondContact O-N 2.98Å; L302-S306 VanDerWaalsContact O-N 3.13Å; L303-S306 PolarHBondContact O-N 2.93Å; L303-S306 PolarHBondContact O-OG 3.06Å
307P50.1Low63.2Low108 Ų108126 Ų12670%0.70162%0.622SS**  trans-72.8138.1178.7-12.529.8000109.2R305 R309R305-P307 VanDerWaalsContact O-CD 3.22Å; R305-P307 WeakPolarHBondContact O-CD 3.18Å; P307-R309 VanDerWaalsContact C-N 3.28Å; P307-R309 PolarHBondContact O-N 3.37Å
308S49.7Very low60.2Low92 Ų92131.8 Ų131.864%0.64366%0.657SS**  trans-65.984.2174.145.80000111.5S310 A311S308-S310 PolarHBondContact O-N 2.93Å; S308-A311 PolarHBondContact O-N 2.67Å
309R44.8Very low57.4Low246 Ų246133.6 Ų133.693%0.92867%0.666SS**THydrogen-bonded Turntrans-61.3-3.7174.8-75.1-174.1169.2-168.6-2.9113.8P307P307-R309 VanDerWaalsContact C-N 3.28Å; P307-R309 PolarHBondContact O-N 3.37Å
310S48.9Very low54.8Low117 Ų117135.3 Ų135.382%0.81868%0.681SS**THydrogen-bonded Turntrans-87.14179.8450000115.3S308S308-S310 PolarHBondContact O-N 2.93Å
311A49.8Very low52.2Low74 Ų74138.8 Ų138.861%0.61271%0.707SS**SBendtrans-120.941.1-171.700000115.9S308S308-A311 PolarHBondContact O-N 2.67Å
312K48.1Very low49.6Very low205 Ų205142.3 Ų142.389%0.89174%0.736SS**  trans-160.954.1167.9-115.2158.1-167.9174.20116.2
313R39.9Very low47.2Very low246 Ų246145.6 Ų145.693%0.92875%0.753SS**  trans-112.397.2153.8-80.5-172.9172.6-179.5-2.2109.1
314K38Very low44.7Very low188 Ų188145.7 Ų145.782%0.81776%0.763SS**  trans-66.6129.4164.1-75.7-172.2173.7-172.30108Y316K314-Y316 PolarHBondContact O-N 3.37Å
315P39.5Very low42.1Very low126 Ų126148.1 Ų148.182%0.81878%0.776SS**  trans-62.8129.3158.8-1529.9000108.2H317P315-H317 PolarHBondContact O-N 3.43Å
316Y32.9Very low40Very low216 Ų216148 Ų14885%0.84778%0.776SS**  trans-77.6109.4166.1-101.6-97.8000107.9K314 V318K314-Y316 PolarHBondContact O-N 3.37Å; Y316-V318 PolarHBondContact O-N 3.46Å
317H36.3Very low39Very low158 Ų158149.1 Ų149.173%0.73178%0.776SS**  trans-74.5104.1168.7-169.5-85.5000107.9P315 E319P315-H317 PolarHBondContact O-N 3.43Å; H317-E319 WeakPolarHBondContact ND1-CG 3.48Å; H317-E319 PolarHBondContact O-N 2.9Å
318V33.8Very low38.5Very low122 Ų122152 Ų15274%0.73978%0.78SS**  trans-85.596.2176.2-179.50000108Y316Y316-V318 PolarHBondContact O-N 3.46Å
319E32.7Very low37.7Very low154 Ų154152.5 Ų152.572%0.7279%0.79SS**  trans-71.8132.5161.1-65.5-165.9133.100109H317H317-E319 WeakPolarHBondContact ND1-CG 3.48Å; H317-E319 PolarHBondContact O-N 2.9Å
320S34.3Very low37.2Very low121 Ų121143.9 Ų143.985%0.84678%0.777SS**  trans-109.7103.5177.9-174.30000109.1
321S34.2Very low36.8Very low93 Ų93148.3 Ų148.365%0.6578%0.781SS**  trans-143.8104.9177.640.60000112.2
322T36.8Very low36.1Very low134 Ų134149.7 Ų149.782%0.82279%0.787SS**  trans50.5103.6147.954.40000119.1
323L37.2Very low35.5Very low180 Ų180145.8 Ų145.894%0.94278%0.78SS**  trans-50.8138151.9-70.2160.4000111.3
324S34.7Very low35.4Very low115 Ų115138.1 Ų138.180%0.80477%0.77SS**  trans-144.6138.3147.362.70000112.4
325N30.4Very low35.5Very low146 Ų146135.3 Ų135.378%0.78176%0.763SS**  trans-8.4157.1162.4-80.5-31.6000121.1
326R33.6Very low35.4Very low191 Ų191138 Ų13872%0.72177%0.765SS**  cis170.1169-15.1155.4176.1169.7-176.6-2.7108.4
327N32.8Very low35.6Very low99 Ų99132 Ų13253%0.52975%0.754SS.*  trans78.9118.2167-78.5-1.7000114.5
328Q39.2Very low35.8Very low170 Ų170131.6 Ų131.679%0.79475%0.752SS**  75.6143.881.2-71.5171.7-2.700112.5
329A33.3Very low36.1Very low102 Ų102132 Ų13284%0.84375%0.745SS**  cis-169.4162.3-1700000106.5
330G35.9Very low36.6Very low64 Ų64134.8 Ų134.866%0.6675%0.75SS**  cis147.2170.21.400000110.2
331K40Very low37Very low210 Ų210134.2 Ų134.291%0.91375%0.745SS**  trans70.8154.5173.9-58179179.71790115.1
332S34.1Very low37.3Very low103 Ų103137 Ų13772%0.7275%0.753SS**  cis-168.7168.9-10.1400000108.8
333T36.1Very low37.6Very low124 Ų124135.1 Ų135.176%0.76175%0.745SS**  cis-108.6-132.38.942.90000110.8
334A37.3Very low37.9Very low85 Ų85134.3 Ų134.370%0.70273%0.734SS**  cis-164.8168.1-5.800000109.9
335L40.3Very low38.1Very low129 Ų129133.9 Ų133.968%0.67572%0.723SS**  cis-166.9116.7-32.5-113.7176.8000109.5
336Q38.3Very low38.6Very low183 Ų183133.2 Ų133.286%0.85572%0.718SS**  trans63.7152.1158.4-68.9171.5-1.700118.6
337S35.5Very low38.8Very low88 Ų88132.3 Ų132.362%0.61572%0.722SS**  cis-160.2138.64.7121.60000113.6
338H40.7Very low38.8Very low151 Ų151134 Ų13470%0.69973%0.731SS**  trans55.7151.3145.4-62.2-71.3000122.1
339H41.8Very low38.4Very low129 Ų129132.8 Ų132.860%0.59773%0.729SS**  cis-166143.2-1.7-119.2-30.1000114.3
340R42.1Very low38.1Very low214 Ų214133.1 Ų133.181%0.80873%0.725SS**  trans61.8163.3147.4-69.8178.3175.9174.3-0119.3
341S41.9Very low37.8Very low108 Ų108137.5 Ų137.576%0.75574%0.739SS**  cis179.1168.5-19.1-87.90000108.4
342N41.6Very low37.2Very low151 Ų151130.9 Ų130.981%0.80773%0.731SS**  cis-173.1179.3-19.1-177.531.8000109.3
343S42Very low36.8Very low96 Ų96134.2 Ų134.267%0.67174%0.74SS**  trans74.7154172.5-87.70000118.4
344K44.4Very low37.5Very low162 Ų162132.8 Ų132.870%0.70473%0.732SS**  cis160.6158.2-14.9-100.9175.7153.6-69.40105.1
345D39.4Very low37Very low107 Ų107139.7 Ų139.757%0.57274%0.74SS**  cis-164.7159.75.2-109.9-26.6000111.7
346I40.6Very low36.3Very low131 Ų131137.8 Ų137.867%0.67274%0.743SS**  trans74.4115.5140-71.2171.9000124.7
347Q38.5Very low35.8Very low172 Ų172136 Ų13680%0.80474%0.739SS**  trans57.3158.8131.6-61.3-177.334.500124.2
348N31.2Very low35.5Very low134 Ų134140.8 Ų140.872%0.71775%0.752SS**  cis-171.9162.3-29.9-163.611.1000112.1
349L31.7Very low35Very low145 Ų145136.7 Ų136.776%0.75975%0.75SS**  trans76.8155.2161.5-11077.6000124.4
350S26.7Very low34.8Very low109 Ų109138.2 Ų138.276%0.76276%0.762SS**  trans64.9132.2175.960.40000117.9
351V29.6Very low34.6Very low156 Ų156134 Ų13495%0.94576%0.762SS**  cis91.8114.627.5178.20000114.2
352G27.3Very low34.1Very low72 Ų72132 Ų13274%0.74275%0.753SS**  trans164.4110.3167.300000117.6
353L26.8Very low33.6Very low173 Ų173131.9 Ų131.991%0.90675%0.752SS**  trans-83.4176.2138.4-94.596000107.7
354P49.1Very low33.1Very low93 Ų93134.6 Ų134.660%0.60475%0.754SS**  cis-143.5-175.214.440.7-20.1000117.4
355R26.8Very low32.5Very low231 Ų231130.4 Ų130.487%0.87275%0.745SS**  trans70.4145.7138-90.3171.3-177.3152.40122.7
356A27.1Very low32Very low89 Ų89134 Ų13474%0.73676%0.756SS**  trans67.6158.2151.300000116.4
357D26.7Very low31.7Very low145 Ų145134.6 Ų134.678%0.77576%0.76SS**  cis-147.5166.7-13.9-142.6-25.8000110.1
358E30.3Very low31.4Very low189 Ų189133.9 Ų133.988%0.88376%0.761SS**  trans56.8170.3167.8-57.6-147.5116.800115.7
359G29.3Very low31.2Very low64 Ų64130.5 Ų130.566%0.6676%0.758SS**  cis-173.3154.9-7.300000109.3
360L37.2Very low31.2Very low162 Ų162131.1 Ų131.185%0.84876%0.762SS**  trans-73.2148.4171.9-65.9167.6000109.8A362L360-A362 HydrophobicContact CB-CB 4.47Å
361P37.7Very low31.5Very low125 Ų125133.6 Ų133.681%0.81277%0.766SS**  -114.314293.8-8.827.7000111.6
362A31.6Very low31.5Very low67 Ų67130.5 Ų130.555%0.55476%0.757SS**  cis75.4108.632.500000114.9L360L360-A362 HydrophobicContact CB-CB 4.47Å
363N32Very low31.6Very low148 Ų148130.2 Ų130.279%0.79175%0.754SS**  trans67.1152.1150.2-67.622.2000118.4
364E30.8Very low31.8Very low152 Ų152127.3 Ų127.371%0.7176%0.755SS**  cis-160.3155.2-9.8-106.2-105.5158.100109.8
365S31.2Very low30.9Very low74 Ų74127.7 Ų127.752%0.51776%0.76SS.*  trans46.6112140.4-65.50000125.5
366F30Very low31.2Very low182 Ų182124.6 Ų124.680%0.79876%0.76SS**  62.6115.1123.4-64.4-69.9000125.2
367L34.6Very low31.6Very low145 Ų145125.8 Ų125.876%0.75976%0.763SS**  85.1143.1125.4-74.2167000124.9
368N30.8Very low32.9Very low157 Ų157124.5 Ų124.584%0.8476%0.762SS**  trans64143163.7-67.9-4.3000119.8
369G28.6Very low32.9Very low63 Ų63121.9 Ų121.965%0.64975%0.754SS**  cis160.1148-11.600000114.8
370N30.2Very low33Very low158 Ų158126.5 Ų126.585%0.84576%0.757SS**  trans65.6148.8173.2-61.1-14.1000116.3
371L32.8Very low32.6Very low160 Ų160124.5 Ų124.584%0.83875%0.752SS**  cis-160.5176-13.9-137.368.2000105.8
372A29.8Very low32.2Very low91 Ų91127.9 Ų127.975%0.75275%0.754SS**  cis-156.5-173-1.100000106.8
373G29.2Very low32Very low66 Ų66130.4 Ų130.468%0.6876%0.763SS**  cis175.3160.4-7.800000111.5
374A32.9Very low31.8Very low112 Ų112133.8 Ų133.893%0.92677%0.766SS**  trans65.7145.717900000116.7
375S29.3Very low31.8Very low102 Ų102135.4 Ų135.471%0.71377%0.774SS**  cis-152.6136.9-11.6-171.60000107.4
376L32.6Very low31.8Very low166 Ų166135.9 Ų135.987%0.86978%0.782SS**  -174.2177.890.3-86.9167.5000110.1
377S35.4Very low31.7Very low114 Ų114133.3 Ų133.380%0.79779%0.787SS**  trans-130.8-177.4-165.6-64.20000112
378P54.1Low31.5Very low117 Ų117131.5 Ų131.576%0.7679%0.786SS**  cis-129.9-151.87.241.1-18.9000112.6
379L31.5Very low31.4Very low135 Ų135132.8 Ų132.871%0.70779%0.787SS**  cis-158.2171.78.3-137.7-175.3000109.7
380H29.9Very low32.4Very low160 Ų160135.6 Ų135.674%0.74179%0.794SS**  trans66.8136.7167.8-71.3126.4000117.5
381T29Very low32.3Very low120 Ų120131.9 Ų131.974%0.73679%0.793SS**  cis-135.8172.80.354.60000112.2
382K29.9Very low32.1Very low196 Ų196129.6 Ų129.685%0.85279%0.79SS**  trans-139.5150.9163.8-73.9-174.6178.8-179.90108.6
383T28.4Very low32Very low120 Ų120131.9 Ų131.974%0.73680%0.795SS**  cis96.613122.5-54.40000114.8
384Y27.3Very low32.1Very low219 Ų219133.3 Ų133.386%0.85980%0.795SS**  trans-127.1172169.6-68.1-89.7000107.9
385Q30.1Very low32.2Very low186 Ų186137.6 Ų137.687%0.86979%0.793SS**  cis-119.9-146.25.5-62.5175.8200108.4
386A31.2Very low32.2Very low85 Ų85138.9 Ų138.970%0.70279%0.792SS**  cis-158.7156.2-1.600000110.9
387S27Very low32.3Very low127 Ų127138 Ų13889%0.88879%0.787SS**  trans-160.2170.9154.954.40000110.6
388S30.6Very low32.2Very low108 Ų108138.6 Ų138.676%0.75579%0.786SS**  trans-144.9146.1-142.457.80000117.9
389Q29.6Very low31.2Very low184 Ų184139 Ų13986%0.8678%0.782SS**  trans67164.8156.3-76.8-15825.400119
390P50.1Low31.4Very low121 Ų121138 Ų13879%0.78678%0.777SS**  cis-126.7173.2-22.531.6-14000113
391G27Very low31.6Very low81 Ų81136.8 Ų136.884%0.83578%0.776SS**  trans176.4125167.700000114.8
392S28.7Very low32.1Very low111 Ų111138.8 Ų138.878%0.77678%0.781SS**  trans-93.5137.2174.4176.50000111.1
393T29.1Very low33.5Very low139 Ų139134.1 Ų134.185%0.85377%0.77SS**  -172.5149.6120.818.40000111.7
394S29.6Very low33.7Very low96 Ų96136.3 Ų136.367%0.67177%0.772SS**  trans-88.3143.5167.1171.80000110.4
395K35.3Very low33.8Very low202 Ų202132.3 Ų132.388%0.87877%0.765SS**  trans-164.4134.3130.7-108.3159.1-172.7176.80112.4
396D30.7Very low33.8Very low130 Ų130130.7 Ų130.770%0.69576%0.761SS**  trans-59.2158.3158-50.7-95.6000110.8
397L34.8Very low34.1Very low147 Ų147131.8 Ų131.877%0.7776%0.763SS**  167.1126.8105.1-86.5175.3000111.3
398T32.2Very low35.2Very low127 Ų127130.9 Ų130.978%0.77976%0.755SS**  trans64.5164.1140.760.50000120.8
399N34Very low35.1Very low126 Ų126134.2 Ų134.267%0.67476%0.756SS**  cis-171.4160.2-40.7-162.41.5000106.6
400N34.7Very low35Very low112 Ų112133.8 Ų133.860%0.59975%0.754SS**  trans58.9118.3159.6-72.2-33.3000118.4
401N33.7Very low34.3Very low136 Ų136132.5 Ų132.573%0.72775%0.754SS**  59.5113.780.3-69.4-53.6000114.1
402I40.1Very low34.4Very low161 Ų161138.5 Ų138.583%0.82676%0.756SS**  -167143.4111.7-99.2157.4000109.6
403P60Low34.3Very low98 Ų98138.6 Ų138.664%0.63676%0.757SS**  trans-88.5171.2-179.437.2-37.3000112.2
404H32Very low34.7Very low166 Ų166139.7 Ų139.777%0.76975%0.75SS**  178.9153.5123.5-106.7-76.4000115.5
405L30.2Very low34.6Very low136 Ų136141.6 Ų141.671%0.71276%0.758SS**  trans75.3130.4144.9-71.2164.9000123.2
406L30.2Very low34.5Very low152 Ų152138.2 Ų138.280%0.79675%0.745SS**  trans69.1110.2140.6-62167.3000121.2
407S35.8Very low34.3Very low107 Ų107141.8 Ų141.875%0.74876%0.755SS**  trans-80.5157.5145.6-177.30000109.9
408P50.8Low34.2Very low109 Ų109139.6 Ų139.671%0.70874%0.744SS**  -147.8170.3107.437.5-21.9000116.4
409K28.2Very low34.3Very low177 Ų177142.7 Ų142.777%0.7775%0.747SS**  trans106.5100.9157.1-61.4-169.3175.2-173.40120.2
410E28.8Very low34.4Very low175 Ų175141.7 Ų141.782%0.81874%0.742SS**  49.191.6118.2-61.6179130.400121.4
411A34.2Very low34.4Very low95 Ų95143.5 Ų143.579%0.78575%0.75SS**  36.3116.6118.100000122.1
412K29.2Very low34.4Very low206 Ų206143.5 Ų143.590%0.89675%0.75SS**  trans-175150.6138-97.3149.9-175.9176.30107.9
413S27.8Very low35.3Very low113 Ų113141.2 Ų141.279%0.7975%0.745SS**  cis-159.8154.4-9.339.50000110
414K37Very low34.1Very low162 Ų162145.8 Ų145.870%0.70476%0.755SS**  trans-83.2151.8171.2-79.4172138.3-162.90112.1E416K414-E416 WeakPolarHBondContact CD-OE1 3.39Å; K414-E416 WeakPolarHBondContact CE-OE1 3.42Å; K414-E416 IonicContact NZ-OE1 2.65Å; K414-E416 PolarHBondContact NZ-OE1 3.38Å
415T27.3Very low35.1Very low136 Ų136143.9 Ų143.983%0.83476%0.758SS**  trans-149.9111.7131.443.70000105.3
416E32.2Very low35.4Very low131 Ų131142.6 Ų142.661%0.61276%0.76SS**  58.6122.860-74.5170-175.700114.5K414K414-E416 WeakPolarHBondContact CD-OE1 3.39Å; K414-E416 WeakPolarHBondContact CE-OE1 3.42Å; K414-E416 IonicContact NZ-OE1 2.65Å; K414-E416 PolarHBondContact NZ-OE1 3.38Å
417F26.4Very low35.4Very low205 Ų205144.5 Ų144.590%0.89977%0.765SS**  trans-137.1150.5136.9-127.5-85.3000108.8
418D34Very low35.1Very low102 Ų102142.9 Ų142.955%0.54577%0.765SS.*  trans-149.4170.6-155.9-176.424.3000109.5N420D418-N420 PolarHBondContact OD2-ND2 3.14Å
419F33.8Very low34.9Very low191 Ų191144.4 Ų144.484%0.83878%0.775SS**  trans-147.6100.7165.3-112.3-75.9000112.4
420N36.1Very low34.9Very low105 Ų105139.1 Ų139.156%0.56177%0.771SS**  trans-75.3172.3167.6-65.7-79.2000110.5D418D418-N420 PolarHBondContact OD2-ND2 3.14Å
421I33.8Very low35Very low151 Ų151136.9 Ų136.977%0.77477%0.769SS**  -172.3121.982.9-87.3159.4000106.1
422D34.3Very low35Very low135 Ų135140.4 Ų140.472%0.72277%0.767SS**  77.615775.1-100.7-35.7000114.6
423P59.4Low35.1Very low113 Ų113140.5 Ų140.573%0.73476%0.763SS**  cis-139.3-171.3-1538.2-17.8000116.5
424K35.3Very low35.2Very low195 Ų195141.3 Ų141.385%0.84876%0.758SS**  trans-49.1173.4169.8-92.3171.9-175.8173.50118
425P52.5Low34.9Very low126 Ų126142.4 Ų142.482%0.81876%0.763SS**  cis-148.6-165.742.944.1-21.4000119.9
426S35.7Very low35.1Very low108 Ų108140.8 Ų140.876%0.75576%0.757SS**  trans-90-178.6-177.251.50000113.3
427E32Very low34.8Very low192 Ų192142.5 Ų142.590%0.89777%0.77SS**  cis-144.3172.921-59.3-178.8110.400113.7
428G29.5Very low35Very low73 Ų73137.7 Ų137.775%0.75376%0.762SS**  trans158.3124.416700000115.1
429P44.7Very low34.8Very low141 Ų141143.9 Ų143.992%0.91678%0.778SS**  trans-96.3147.1-174.435.9-34.3000114.9
430G28.5Very low34.8Very low67 Ų67138.6 Ų138.669%0.69177%0.765SS**  trans-162.628.2-16800000122.1
431T30.8Very low34.7Very low127 Ų127141.7 Ų141.778%0.77978%0.776SS**  trans68.3147.3161.973.70000122.5
432K33.9Very low34.7Very low170 Ų170141.3 Ų141.374%0.73977%0.771SS**  trans82.4115.6144.3-79.2161.6-175.21710123
433Y31.9Very low34.5Very low207 Ų207140.8 Ų140.881%0.81277%0.768SS**  trans99.3127.5131.6-81.5-50.4000123.4
434L30.6Very low33.2Very low130 Ų130144.9 Ų144.968%0.68177%0.769SS**  trans74.8108.3144.9-69.2165.8000121
435K30.3Very low33Very low186 Ų186143.2 Ų143.281%0.80976%0.763SS**  55144.9125.6-70.9-174.7-174.7178.30120.1
436S31.3Very low32Very low102 Ų102142.1 Ų142.171%0.71376%0.759SS**  cis179.6143.8-14480000107.9
437N25.6Very low31.6Very low167 Ų167145.6 Ų145.689%0.89376%0.761SS**  trans-159.5124.1156.6-134.1-13.7000114.9
438S31.2Very low31.6Very low104 Ų104144 Ų14473%0.72776%0.755SS**  trans-150.1135.2157.562.50000106.5
439R30.7Very low31.5Very low232 Ų232148.5 Ų148.588%0.87576%0.757SS**  47.4136.772.3-94.2-165.9160.6176.4-5.5113
440S32.3Very low30.7Very low80 Ų80147 Ų14756%0.55975%0.75SS**  cis175.4164.3-18.840.70000107.2
441Q33.6Very low30.9Very low170 Ų170149.1 Ų149.179%0.79475%0.753SS**  trans65166165.2-79.4-178.7-10.800114.8
442Q34.1Very low31Very low143 Ų143151.7 Ų151.767%0.66876%0.757SS**  cis-158.2159.1-43-145.5169.8-7.600108.7
443N30.4Very low30.9Very low124 Ų124149.5 Ų149.566%0.66376%0.763SS**  trans68126.1151.4-86.2-16.1000122.7
444R31.7Very low31.2Very low199 Ų199148.8 Ų148.875%0.75176%0.764SS**  trans80122.1134.9-67.9-170.2150.7172.7-4.3121.5
445H32.3Very low31.5Very low159 Ų159147.7 Ų147.774%0.73677%0.774SS**  40138.4125.1-45.7-50.6000120.1
446S30.3Very low31.4Very low103 Ų103142.3 Ų142.372%0.7277%0.771SS**  cis-178.7169.7-1.142.90000112.1
447F27.4Very low31.4Very low182 Ų182144.3 Ų144.380%0.79878%0.779SS**  trans95.3146.6147-137.6-108.4000119.6
448M31.6Very low31.7Very low157 Ų157143.8 Ų143.877%0.77378%0.775SS**  trans56128.5-178.7-72.3156.972.800117.4
449E28.4Very low32Very low169 Ų169147.2 Ų147.279%0.7978%0.78SS**  cis94.189.620.5-163.3175.4-165.500116.4
450S28.4Very low33.2Very low110 Ų110140.6 Ų140.677%0.76977%0.767SS**  trans-177.1122.4149.6550000107.5
451S32Very low33.2Very low110 Ų110143.4 Ų143.477%0.76978%0.776SS**  94.785.955-68.90000114.2
452Q33.9Very low33.3Very low181 Ų181141.2 Ų141.285%0.84677%0.765SS**  trans34.9130.8147.9-54.7-175.919.800122.1
453S31Very low33.6Very low125 Ų125142 Ų14287%0.87477%0.766SS**  trans-148.6154.2139.762.40000111.5
454K38.4Very low33.9Very low192 Ų192144.1 Ų144.184%0.83577%0.772SS**  trans-121.4162.8-175.2-56.2169.8-178.6171.20110.3
455A35.8Very low33.9Very low107 Ų107138.4 Ų138.488%0.88476%0.763SS**  171156.8123.200000114.6
456G28.3Very low34Very low72 Ų72141.1 Ų141.174%0.74277%0.767SS**  trans98.4130.7166.500000115.2
457T31.8Very low34.2Very low144 Ų144143.6 Ų143.688%0.88377%0.767SS**  cis-150.9170.8-4-62.30000109.1
458L32.8Very low34.3Very low156 Ų156139.3 Ų139.382%0.81776%0.759SS**  trans-127.7167.4-166.7-72.5164.5000115
459Q36.8Very low34.3Very low176 Ų176141.6 Ų141.682%0.82276%0.761SS**  trans84.5176.5155.3-56.1-130.963.900118.6
460P56.7Low34.5Very low94 Ų94141.5 Ų141.561%0.6176%0.764SS**  -143.4179.4-77.445-28000117.1
461N30.9Very low34.6Very low139 Ų139141.2 Ų141.274%0.74375%0.754SS**  trans57.6158.3146.1-83.727.3000122.3
462E37.2Very low34.6Very low123 Ų123142.6 Ų142.658%0.57576%0.758SS**  cis-166.9157.3-20.1-127.5-164149.900112.5
463K40.6Very low34.7Very low159 Ų159141 Ų14169%0.69175%0.754SS**  trans64.8161.4154.9-71.3164.2177.4140.50117.8
464Q36Very low35.5Very low169 Ų169140.6 Ų140.679%0.7975%0.748SS**  cis-158.7-172.26-136.3-16811000108.7
465S31.4Very low35.2Very low79 Ų79140.7 Ų140.755%0.55275%0.751SS**  cis-170.6-177.4-2.6-161.60000111.5
466R34.4Very low34.9Very low217 Ų217140.9 Ų140.982%0.81975%0.746SS**  trans71.1145.5161-60.3-176.5167.9-178.2-0.4119.5
467H34Very low35.1Very low155 Ų155142.2 Ų142.272%0.71874%0.744SS**  cis-158.4127.5-12.2-117.4-58.2000114.9
468S29.6Very low35Very low92 Ų92146.6 Ų146.664%0.64375%0.745SS**  trans31.8125.2138.357.90000127.8
469Y32.3Very low35.2Very low205 Ų205144.6 Ų144.680%0.80474%0.744SS**  69.3122.5128.6-101.6-87000126.2
470I32.5Very low35.3Very low167 Ų167141.9 Ų141.986%0.85674%0.741SS**  -170.5161.6122.2-105.8173.1000111.6
471D30.9Very low34Very low104 Ų104142 Ų14256%0.55674%0.744SS**  trans-95.6153.4-158.1-61-87.4000119.7
472T31.3Very low33.9Very low138 Ų138145 Ų14585%0.84775%0.747SS**  trans-171.3100.4134.78.80000108.7
473I36.9Very low33.4Very low149 Ų149149.4 Ų149.476%0.76476%0.758SS**  77.3130.176.1-70.9178.9000114.3
474P47.7Very low32.7Very low115 Ų115147.1 Ų147.175%0.74776%0.757SS**  trans-137.3162.9-141.140-20.7000117.8
475Q32.2Very low32.4Very low194 Ų194148.4 Ų148.491%0.90776%0.76SS**  trans-150.4149.6159.6-77.3-157.814.400110.2
476S29.8Very low32.2Very low111 Ų111149.2 Ų149.278%0.77677%0.772SS**  cis-148.9165.1-8.356.70000110.8
477S31.5Very low32Very low101 Ų101148.4 Ų148.471%0.70678%0.775SS**  trans-119.8149.6171.1620000110.5
478R29.9Very low31.7Very low236 Ų236145.2 Ų145.289%0.89177%0.769SS**  trans163.8133.5139.6-92.6160.5-178.6-171.3-0.3113
479S35.7Very low31.9Very low114 Ų114149.6 Ų149.680%0.79778%0.779SS**  trans-74.6155.6146.9-45.40000109.1
480P39.5Very low31.7Very low119 Ų119143.6 Ų143.677%0.77378%0.779SS**  -148.1168.5104.438.6-23.4000116
481S29.9Very low31.6Very low97 Ų97139.8 Ų139.868%0.67877%0.773SS**  trans-71.8167.6171.6-39.50000113.6
482Y27.7Very low31.7Very low202 Ų202142.9 Ų142.979%0.79279%0.789SS**  171.1128121.3-85.7-53.9000110.6
483R28Very low31.8Very low215 Ų215140.9 Ų140.981%0.81178%0.781SS**  52.1137.1102.6-73.3-169167.9-172.5-3.7115
484T26.1Very low31.7Very low110 Ų110140.2 Ų140.268%0.67578%0.779SS**  cis-172.1175.58.215.10000111.8
485K28.1Very low31.4Very low196 Ų196138 Ų13885%0.85277%0.766SS**  trans82.3129.8168.2-48.9175.4-173.7175.20114.4
486A27.9Very low31.6Very low97 Ų97137.5 Ų137.580%0.80276%0.761SS**  cis99.71128.900000117.7
487K30.1Very low32Very low200 Ų200137.7 Ų137.787%0.8776%0.762SS**  trans172.6121.7152.2-100.6177.7179.2-172.20109.6
488S28.7Very low32Very low87 Ų87139.6 Ų139.661%0.60877%0.769SS**  65.5134.790.271.20000114.9
489H32.5Very low32.1Very low185 Ų185132.9 Ų132.986%0.85676%0.758SS**  cis-118.8179.213.8-71.5-110.2000111
490G29.6Very low32.1Very low78 Ų78134.5 Ų134.580%0.80476%0.758SS**  cis95132.232.800000109.9
491A29.9Very low31.8Very low88 Ų88136.9 Ų136.973%0.72776%0.763SS**  cis-129.6165.416.900000111.5
492L32.6Very low31.9Very low168 Ų168137.5 Ų137.588%0.8877%0.768SS**  54.3141.368-40.8174.2000114
493S33.1Very low32.1Very low97 Ų97134.6 Ų134.668%0.67876%0.761SS**  cis-161.915419.359.60000114.9
494D35.3Very low32.1Very low135 Ų135129.3 Ų129.372%0.72276%0.764SS**  trans49.5160.1132-74.1-80.1000124.7
495S40.4Very low32.3Very low69 Ų69134 Ų13448%0.48377%0.769SS.*  cis-171.1146.9-13.8-119.80000112.8
496K36.8Very low32.4Very low183 Ų183129.4 Ų129.480%0.79677%0.767SS**  trans61.5170143.8-54.8157.7-172.2148.60118.4
497S39.1Very low32.4Very low114 Ų114132.6 Ų132.680%0.79777%0.766SS**  cis-154.2171.714.5-39.10000115.1
498V32.1Very low32.4Very low141 Ų141130.2 Ų130.286%0.85576%0.761SS**  trans-56178179.8-107.50000118.4
499S30.7Very low32.3Very low96 Ų96130.3 Ų130.367%0.67177%0.767SS**  cis-166146.811.834.10000116.4
500N35.1Very low32.3Very low148 Ų148129.6 Ų129.679%0.79176%0.764SS**  trans64.9154.8132.7-72.80000127.9
501L34.3Very low32.9Very low168 Ų168130.9 Ų130.988%0.8876%0.758SS**  trans78.5141.4158.1-73.8158.4000118.2
502S32.2Very low32.9Very low111 Ų111130.8 Ų130.878%0.77675%0.752SS**  cis-145.1166.77.6520000113.9
503E31.1Very low32.7Very low140 Ų140128.6 Ų128.665%0.65475%0.746SS**  trans-113.1149.4179.7177.4-177.8172.500111.3R505E503-R505 HydrophobicContact CG-CB 4.47Å; E503-R505 WeakPolarHBondContact OE1-CD 3.36Å; E503-R505 IonicContact OE1-CZ 2.75Å; E503-R505 IonicContact OE1-NE 3.02Å; E503-R505 IonicContact OE1-NH1 3.76Å; E503-R505 PolarHBondContact OE1-NH1 3.44Å
504A28.7Very low32.5Very low104 Ų104128 Ų12886%0.8674%0.742SS**  trans-142.1138162.200000110.5
505R29.6Very low32.3Very low209 Ų209131.8 Ų131.879%0.78975%0.746SS**  trans-153.3109.8-159.9-173.2-160.7-158.9126.2-9.6113.3E503E503-R505 HydrophobicContact CG-CB 4.47Å; E503-R505 WeakPolarHBondContact OE1-CD 3.36Å; E503-R505 IonicContact OE1-CZ 2.75Å; E503-R505 IonicContact OE1-NE 3.02Å; E503-R505 IonicContact OE1-NH1 3.76Å; E503-R505 PolarHBondContact OE1-NH1 3.44Å
506A29.8Very low31.8Very low99 Ų99139 Ų13982%0.81876%0.764SS**  trans-170.8159.7172.100000110.7
507Q28.5Very low31.9Very low165 Ų165139.3 Ų139.377%0.77177%0.766SS**  cis-168.9145.1-41.7-120.2-175.917.700108.7
508I30Very low32.2Very low149 Ų149139.8 Ų139.876%0.76477%0.767SS**  trans72146148.4-65.8166.6000120.4
509A27.6Very low32.2Very low90 Ų90138.2 Ų138.274%0.74476%0.762SS**  trans77.7107156.800000123.2
510E31.1Very low32.5Very low170 Ų170139.1 Ų139.179%0.79477%0.768SS**  -61.8158.3126.3-84.8-90.2166.900109.5
511P43.7Very low32.4Very low104 Ų104137.3 Ų137.368%0.67577%0.766SS**  cis-153.1159.540.843.1-22.2000120.6
512S28.7Very low32.6Very low86 Ų86136 Ų13660%0.60176%0.759SS**  trans61.3155.2135.477.80000124.7
513T28.4Very low32.5Very low122 Ų122137.2 Ų137.275%0.74876%0.757SS**  trans80.697.7156.865.90000122.7
514S29.2Very low32.7Very low85 Ų85136.8 Ų136.859%0.59476%0.759SS**  67.7135.511799.80000123.4
515R32Very low32.9Very low214 Ų214139.8 Ų139.881%0.80876%0.76SS**  trans87.8122.5141.5-72.2-177.4-71.2164.2-1.3122.1
516Y29.3Very low33.1Very low220 Ų220135 Ų13586%0.86376%0.759SS**  trans78.8130.3137.1-84.7-112.4000122.5
517F38.1Very low34.3Very low190 Ų190136 Ų13683%0.83376%0.757SS**  trans-66.6160.6154.7-85-90.4000110.8
518P46.3Very low34.3Very low125 Ų125134.3 Ų134.381%0.81276%0.758SS**  -150-150.557.542.9-19.9000117
519S32.6Very low34.7Very low108 Ų108132.8 Ų132.876%0.75576%0.761SS**  trans-97.7179.4-150.7-39.10000118
520S35.4Very low35.7Very low115 Ų115134 Ų13480%0.80476%0.761SS**  trans87.1151.7160.283.90000117.2
521C33.8Very low35.9Very low110 Ų110131.6 Ų131.674%0.74376%0.758SS**  cis-160.9165.9-0.1-137.40000113.7
522L38.3Very low36.2Very low139 Ų139132.4 Ų132.473%0.72876%0.763SS**  trans65.3160.3161.6-61.9168.7000118L524L522-L524 HydrophobicContact CD2-CD1 4.16Å; L522-L524 HydrophobicContact CD2-CG 4.19Å
523D31Very low36.2Very low138 Ų138135.2 Ų135.274%0.73878%0.777SS**  cis-117.6149.46.7-85.3-46.2000111.6
524L35.5Very low36.4Very low131 Ų131139.6 Ų139.669%0.68678%0.779SS**  80.6103.756.8-82.4178.1000117.1L522L522-L524 HydrophobicContact CD2-CD1 4.16Å; L522-L524 HydrophobicContact CD2-CG 4.19Å
525N32.9Very low36.8Very low167 Ų167142.4 Ų142.489%0.89378%0.783SS**  -173.2136.2124.6-102.9-44.4000113.8
526S33.3Very low36.6Very low108 Ų108137.9 Ų137.976%0.75578%0.784SS**  trans-159.9157.116468.20000109.8
527P54.3Low36.8Very low121 Ų121134.5 Ų134.579%0.78678%0.781SS**  -146179.6113.642.6-28.4000111.7
528T29.5Very low36.5Very low129 Ų129132.6 Ų132.679%0.79179%0.785SS**  cis-135.7164.711.238.80000112.5
529S36.8Very low35.8Very low117 Ų117137.4 Ų137.482%0.81879%0.787SS**  trans-127.4-151.8166.2-43.40000107.8
530P50.4Low35.8Very low115 Ų115137.8 Ų137.875%0.74779%0.785SS**  cis-127.6-159.4-6.842.4-22000111.7
531T35.3Very low35.6Very low120 Ų120139.1 Ų139.174%0.73678%0.782SS**  cis-158.6153-6.6-6.80000108.6
532P48.3Very low35.6Very low120 Ų120141.1 Ų141.178%0.77979%0.785SS**  trans-87.8171.1167.136.7-36.3000113.4
533T28.8Very low35.3Very low146 Ų146139.8 Ų139.890%0.89679%0.787SS**  trans-137.7162.4175.953.80000113.3
534R34.3Very low36.1Very low213 Ų213138.7 Ų138.780%0.80479%0.787SS**  trans-156.8144-177.5-160.2-171.5165.6-176.9-4111.5
535H37.5Very low35.9Very low145 Ų145138.4 Ų138.467%0.67180%0.796SS**  trans65.9127.6170.3-70.9-70.4000120.6
536S27.5Very low35.8Very low119 Ų119133.9 Ų133.983%0.83279%0.789SS**  trans-156.1155.3134.857.40000109.6
537D33.3Very low35.8Very low149 Ų149140 Ų14080%0.79780%0.796SS**  trans-99.3162.2-168.3-57.5-80.5000114.6
538T32.3Very low34.7Very low149 Ų149140.5 Ų140.591%0.91479%0.792SS**  trans-150.4154.7142.9-200000112.1
539R31.5Very low34.9Very low226 Ų226140.8 Ų140.885%0.85379%0.789SS**  trans-74176.9-179.3-70.1176.4165.4156.9-5.6110.9
540T31.6Very low34.7Very low117 Ų117145.7 Ų145.772%0.71879%0.789SS**  cis-172.8161.542.8-30.80000114.1
541L32.4Very low33.9Very low142 Ų142145.5 Ų145.574%0.74378%0.782SS**  trans83.7114.1155.8-58.6-176.9000121.9
542L33Very low33.9Very low153 Ų153148 Ų14880%0.80179%0.785SS**  66.2113.5129-59.4172.7000121.6
543S32.9Very low33Very low110 Ų110145.1 Ų145.177%0.76978%0.778SS**  trans-83.1161.7135.9-47.10000110
544P47.3Very low33.4Very low115 Ų115144.4 Ų144.475%0.74777%0.774SS**  -146.3170.4100.939-24.4000116.2
545S30.9Very low33.6Very low125 Ų125141.5 Ų141.587%0.87477%0.773SS**  trans8143.5151.1-49.70000121.2
546G30.5Very low33.4Very low72 Ų72140.6 Ų140.674%0.74277%0.773SS**  cis150.1-171.90.200000113.3
547R33.2Very low33.8Very low236 Ų236138.7 Ų138.789%0.89176%0.76SS**  trans67.5112.4165.2-78.5-178.2167.2173.4-4121.9
548N31.6Very low34.1Very low133 Ų133142.7 Ų142.771%0.71176%0.764SS**  65.6130.1119.7-62.914.9000125.1
549N32.5Very low34.2Very low135 Ų135145.7 Ų145.772%0.72276%0.759SS**  trans78.1109.8130.3-76.60.6000124.5
550R33.4Very low34.3Very low219 Ų219140.1 Ų140.183%0.82675%0.75SS**  66.6144.9105.1-103.7-173.2-178.3-171.40.2123.3
551N33.4Very low34.3Very low111 Ų111140.9 Ų140.959%0.59475%0.754SS**  trans70.5155.5160.6-6334.5000116
552E34.6Very low34.5Very low172 Ų172140.2 Ų140.280%0.80476%0.756SS**  cis-167.7175.1-20.3-105.6151.1-173.100107.5
553G31.4Very low34.7Very low61 Ų61142.5 Ų142.563%0.62975%0.754SS**  cis173.5-160.23.500000112.1
554T35.5Very low35Very low131 Ų131145.7 Ų145.780%0.80476%0.757SS**  trans65122.4163.839.20000124.3
555L39.4Very low34.3Very low152 Ų152144.9 Ų144.980%0.79675%0.754SS**  trans62.2157.9136.9-60.7171.2000121
556D33.6Very low34.6Very low126 Ų126147.9 Ų147.967%0.67475%0.751SS**  cis-155.6161.46-141.2-42.1000116.2
557S36.2Very low34.8Very low79 Ų79149.4 Ų149.455%0.55275%0.746SS**  trans43.5120.4146.7-77.50000129.3
558R38.8Very low34.8Very low232 Ų232145.2 Ų145.288%0.87574%0.738SS**  trans68.6163.3130.4-55-179.9-170.4-140.8-2.8119.4
559R34.6Very low35Very low213 Ų213146.3 Ų146.380%0.80474%0.739SS**  cis-165.2147.519.2-152.4-165.6-175.41731.4113.8
560T32.3Very low35.2Very low109 Ų109147.2 Ų147.267%0.66974%0.739SS**  trans53.7154146.241.80000123.3
561T32.4Very low35.3Very low133 Ų133142.6 Ų142.682%0.81673%0.73SS**  cis-165.4-178.7-24.916.70000110.3
562T36.8Very low35.1Very low128 Ų128145.3 Ų145.379%0.78574%0.736SS**  trans-115.2158.8-162.9520000117.8
563R37.2Very low34.9Very low200 Ų200144.4 Ų144.476%0.75574%0.736SS**  160.8144.1124.6-92.7-178.7143.6180-6.3117.1
564H38.8Very low35.7Very low178 Ų178145.7 Ų145.782%0.82473%0.734SS**  trans46.1158.7138.6-59.4-26.5000122.7
565S33.3Very low35.4Very low97 Ų97147 Ų14768%0.67873%0.73SS**  cis-179.4151.9-22.258.10000112.1
566K37.2Very low35.1Very low189 Ų189147.3 Ų147.382%0.82273%0.728SS**  trans67.3166157.1-84.9-158.9163.9-158.30119.5
567T33.7Very low34.9Very low103 Ų103148.4 Ų148.463%0.63273%0.73SS**  cis-169.4163.2-40.928.30000111.3
568M33.6Very low34.5Very low149 Ų149151.3 Ų151.373%0.73474%0.74SS**  trans86.9132.2147.2-108.1158.1155.900122.4
569E36.7Very low34.1Very low155 Ų155145.1 Ų145.172%0.72473%0.732SS**  trans59.8148.6135.9-83.4163.1-171.800122.1
570E36.6Very low33.9Very low154 Ų154139.6 Ų139.672%0.7273%0.726SS**  cis-162.9-177.3-4.2-151.8-154.1137.300111.8
571L34.9Very low33.9Very low122 Ų122143 Ų14364%0.63973%0.734SS**  trans84.1102150.5-65.5160.3000125.1
572K30.2Very low33.8Very low168 Ų168141.1 Ų141.173%0.7373%0.727SS**  85104.1101.8-160.7166.8-176.2176.20125.2
573L28.9Very low33.5Very low153 Ų153143.9 Ų143.980%0.80173%0.73SS**  trans58.5173.5131-72.5176.6000122.3
574P49.8Very low33.1Very low88 Ų88140.1 Ų140.157%0.57174%0.735SS**  cis-134-172.3-19.931.7-9.5000116.1
575E29.2Very low32.6Very low158 Ų158139.4 Ų139.474%0.73874%0.736SS**  trans67130147.8-81.6144.9-13900120.1
576H32.5Very low32.3Very low160 Ų160139.7 Ų139.774%0.74174%0.738SS**  99.414553.9-73175.2000113.1
577M29.6Very low32Very low148 Ų148135.1 Ų135.173%0.72974%0.735SS**  cis-160.8-172.2-0.9-117.8-55.9168.900113.3
578D27.7Very low32.4Very low141 Ų141135.9 Ų135.975%0.75474%0.742SS**  trans77.4104.9157-75.7-27.8000124.4
579S29.4Very low32.3Very low101 Ų101136.3 Ų136.371%0.70674%0.742SS**  52.8120.2121-151.60000121
580S31.2Very low31.9Very low98 Ų98136.4 Ų136.469%0.68574%0.742SS**  179.8155.167.943.10000113.5
581H33.2Very low31.5Very low180 Ų180133 Ų13383%0.83374%0.736SS**  trans18.9143.7162.5-46.1-59.8000122
582S29.2Very low31.3Very low94 Ų94136.7 Ų136.766%0.65775%0.747SS**  cis-162.3164.731.171.80000115.1
583H30Very low31Very low185 Ų185133.8 Ų133.886%0.85675%0.748SS**  trans39.898.9158.9-53.3-60.9000121.3
584S29.7Very low31.2Very low122 Ų122138 Ų13885%0.85376%0.755SS**  -166154.298.5-160.60000112.1
585L28Very low30.1Very low162 Ų162137.1 Ų137.185%0.84876%0.761SS**  trans-114.4143-180-64.5170.9000109
586S27.8Very low30Very low103 Ų103138.2 Ų138.272%0.7277%0.772SS**  cis-156.7153.3-10.5-860000109.7
587A29.3Very low29.7Very low93 Ų93133.8 Ų133.877%0.76977%0.769SS**  trans-90.7-157.9160.700000108.6
588P42.3Very low29.6Very low120 Ų120138.2 Ų138.278%0.77978%0.779SS**  cis-144.3179.417.640.6-17.5000118.2
589H31.5Very low29.6Very low157 Ų157137.4 Ų137.473%0.72778%0.78SS**  trans-62-178.4148.2-76.5-151.2000110.5
590E29.1Very low29.7Very low157 Ų157136.2 Ų136.273%0.73477%0.771SS**  cis-159.3-170.310-143.8147.8-134.600111.3
591S28.8Very low29.6Very low83 Ų83137.2 Ų137.258%0.5878%0.775SS**  trans-11.3156.3156.946.30000121.1
592F31.1Very low29.3Very low199 Ų199137.9 Ų137.987%0.87378%0.776SS**  cis-163.9170.36-116-51.8000110.6
593S23.5Very low29.5Very low108 Ų108138.3 Ų138.376%0.75578%0.779SS**  trans113.1113.7152-53.20000119.1
594Y33.3Very low29.4Very low242 Ų242134.4 Ų134.495%0.94977%0.773SS**  trans21.8122.4152.6-82.1-90.5000122.3
595G26.6Very low29.7Very low68 Ų68137.7 Ų137.770%0.70177%0.774SS**  123100.3126.600000117.2
596L27.5Very low29.7Very low182 Ų182138.9 Ų138.995%0.95378%0.775SS**  trans-176.9151.6138.4-100158.8000109.6
597G26.1Very low30.3Very low66 Ų66140.4 Ų140.468%0.6877%0.766SS**  trans-86.3133.4-172.200000113.7T599G597-T599 PolarHBondContact O-N 3.22Å
598Y26.4Very low30.8Very low242 Ų242139.9 Ų139.995%0.94975%0.754SS**  trans-75.1102.4164.7-96.5-94.3000110.1
599T28.7Very low30.5Very low124 Ų124140.8 Ų140.876%0.76175%0.748SS**  trans-77.1132.7166.3470000109.8G597G597-T599 PolarHBondContact O-N 3.22Å
600S30.4Very low31.2Very low76 Ų76136.4 Ų136.453%0.53173%0.725SS.*  trans-67.8137.6171.3177.30000109.7F602 S603S600-F602 PolarHBondContact O-N 3.02Å; S600-F602 VanDerWaalsContact O-N 3.13Å; S600-F602 PolarHBondContact OG-N 3Å; S600-S603 WeakPolarHBondContact O-CB 3.28Å
601P28.4Very low31.5Very low118 Ų118136 Ų13677%0.76672%0.722SS**SBendtrans-66.1-12.9178.526.8-34.6000113.5S603P601-S603 PolarHBondContact O-N 3.29Å; P601-S603 VanDerWaalsContact O-N 3.09Å
602F28.2Very low32Very low195 Ų195133.8 Ų133.886%0.85571%0.707SS**  trans-83.363.1168.6-82.5-85.3000111.6S600S600-F602 PolarHBondContact O-N 3.02Å; S600-F602 VanDerWaalsContact O-N 3.13Å; S600-F602 PolarHBondContact OG-N 3Å
603S33.4Very low32.1Very low103 Ų103129.2 Ų129.272%0.7269%0.69SS**  trans-138.339.9179.4-172.70000113.4S600 P601S600-S603 WeakPolarHBondContact O-CB 3.28Å; P601-S603 PolarHBondContact O-N 3.29Å; P601-S603 VanDerWaalsContact O-N 3.09Å
604S27.4Very low32.8Very low103 Ų103127.3 Ų127.372%0.7267%0.667SS**SBendtrans-133.287.4175.745.70000112.9
605Q35.7Very low32.5Very low191 Ų191122.5 Ų122.589%0.89366%0.662SS**  trans44.676.3147.3-59.2-176.4-100118.7
606Q29Very low32.7Very low186 Ų186125.1 Ų125.187%0.86967%0.665SS**  trans-146.698.7136.8-114.5165.847.400110.1
607R40.1Very low33Very low136 Ų136127.5 Ų127.551%0.51366%0.661SS.*PPolyproline II helixtrans-64140.8165.9-101.5-179169.1176-5108.3P104 H609P104-R607 VanDerWaalsContact CB-NH2 3.33Å; R607-H609 PolarHBondContact O-N 3.33Å
608P38.9Very low33.2Very low81 Ų81131.4 Ų131.453%0.52667%0.666SS.*PPolyproline II helixtrans-50.9120158.8-21.232.3000107.5R610P608-R610 PolarHBondContact O-N 2.81Å
609H35.5Very low33.5Very low140 Ų140129.9 Ų129.965%0.64866%0.664SS**PPolyproline II helixtrans-62116.6-179.4-89.241000108.1R607 H611R607-H609 PolarHBondContact O-N 3.33Å; H609-H611 VanDerWaalsContact CB-CE1 3.5Å; H609-H611 WeakPolarHBondContact CB-CE1 3.28Å; H609-H611 PolarHBondContact O-N 3.05Å; H609-H611 PolarHBondContact O-ND1 3.49Å
610R47.3Very low33.5Very low64 Ų64130.8 Ų130.824%0.24267%0.67CS.*  trans-64.382169.1-71.2-167.8-175.4-102.30.5107.5E203 G207 P608 S612E203-R610 IonicContact OE1-CZ 3.67Å; E203-R610 VanDerWaalsContact OE1-CZ 3.23Å; E203-R610 IonicContact OE1-NH1 3.72Å; E203-R610 PolarHBondContact OE1-NH1 2.75Å; E203-R610 IonicContact OE1-NH2 3.16Å; E203-R610 PolarHBondContact OE1-NH2 3.08Å; G207-R610 PolarHBondContact O-NH2 2.81Å; P608-R610 PolarHBondContact O-N 2.81Å; R610-S612 PolarHBondContact O-N 2.68Å
611H35.6Very low33.4Very low148 Ų148138.1 Ų138.169%0.68569%0.686SS**  trans-70.174.1169.3-7386.5000107.9H609 M613H609-H611 VanDerWaalsContact CB-CE1 3.5Å; H609-H611 WeakPolarHBondContact CB-CE1 3.28Å; H609-H611 PolarHBondContact O-N 3.05Å; H609-H611 PolarHBondContact O-ND1 3.49Å; H611-M613 PolarHBondContact O-N 3.08Å
612S38.4Very low33.7Very low38 Ų38137.1 Ų137.127%0.26669%0.688SS.*  trans-54131.5159.2-175.80000107.4R610 Y614R610-S612 PolarHBondContact O-N 2.68Å; S612-Y614 PolarHBondContact O-N 2.82Å; S612-Y614 WeakPolarHBondContact OG-CB 3.42Å; S612-Y614 WeakPolarHBondContact OG-CD2 3.44Å; S612-Y614 PolarHBondContact OG-N 2.92Å; S612-Y614 PolarHBondContact OG-O 2.73Å
613M34.1Very low33.9Very low103 Ų103137.1 Ų137.151%0.50769%0.687SS.*SBendtrans-71.98.7172.3-69.8-67.8-68.600112.1V172 H611V172-M613 HydrophobicContact CG1-CE 4.14Å; H611-M613 PolarHBondContact O-N 3.08Å
614Y37Very low33.8Very low68 Ų68135.7 Ų135.727%0.26769%0.689SS.*SBendtrans-112.9127.5175.3-57.1-106.6000108.1E21 S612 T616E21-Y614 WeakPolarHBondContact O-CA 3.31Å; E21-Y614 WeakPolarHBondContact O-CD1 3.42Å; S612-Y614 PolarHBondContact O-N 2.82Å; S612-Y614 WeakPolarHBondContact OG-CB 3.42Å; S612-Y614 WeakPolarHBondContact OG-CD2 3.44Å; S612-Y614 PolarHBondContact OG-N 2.92Å; S612-Y614 PolarHBondContact OG-O 2.73Å; Y614-T616 PolarHBondContact O-N 3.27Å
615V27.6Very low33.9Very low140 Ų140138.1 Ų138.185%0.84869%0.693SS**  trans-75.396.7176.4-179.10000109.1
616T30.6Very low33.8Very low123 Ų123136.3 Ų136.376%0.75569%0.69SS**  trans-61.9145.3163.526.10000109.9Y614Y614-T616 PolarHBondContact O-N 3.27Å
617R33.5Very low33.8Very low232 Ų232131.5 Ų131.588%0.87569%0.69SS**  trans-133.4144.5-173.2-157.5173.3-169.7161.23.5110.7
618D30.2Very low33.2Very low149 Ų149130.2 Ų130.280%0.79770%0.701SS**  trans-59.2141.1-170.1-56.6-83.2000114.2V620D618-V620 PolarHBondContact O-N 3.13Å
619K32.5Very low32.9Very low209 Ų209134.1 Ų134.191%0.90972%0.717SS**  trans-71.494.4172-72.5178.9178.1172.70109.7R621K619-R621 PolarHBondContact O-N 3.49Å; K619-R621 VanDerWaalsContact O-N 3.13Å
620V30.1Very low32.6Very low144 Ų144132.7 Ų132.787%0.87372%0.723SS**  trans-57.5115.8170.8179.50000109.2D618D618-V620 PolarHBondContact O-N 3.13Å
621R27.7Very low31.7Very low229 Ų229137.5 Ų137.586%0.86475%0.752SS**  trans-90.2115.3-174-166.7-179.5-159.8166.87110.5K619 K623K619-R621 PolarHBondContact O-N 3.49Å; K619-R621 VanDerWaalsContact O-N 3.13Å; R621-K623 PolarHBondContact O-N 3.09Å
622A35.1Very low31.3Very low98 Ų98134 Ų13481%0.8176%0.755SS**  trans-72.2120.2176.600000112.3
623K33Very low30.9Very low194 Ų194141.5 Ų141.584%0.84379%0.786SS**  trans-142.7146150.4-73.8-165.7173.2-167.50105.6R621R621-K623 PolarHBondContact O-N 3.09Å
624G30.4Very low30.6Very low74 Ų74140.5 Ų140.576%0.76380%0.802SS**  cis117.9108.120.100000106.6
625L30.2Very low30.2Very low153 Ų153146.2 Ų146.280%0.80183%0.834SS**  trans-84.8167.2-164.5-140.173.5000112.9
626D32.8Very low30.2Very low154 Ų154143.8 Ų143.882%0.82483%0.828SS**  trans70.8148.7162.3-52.4-37.2000119.7
627G28.8Very low30.2Very low84 Ų84143 Ų14387%0.86683%0.834SS**  trans121.6107.5179.100000113.3
628S28.2Very low29.8Very low109 Ų109143.8 Ų143.876%0.76284%0.837SS**  trans-127.2158.7179.2-170.60000111.1
629L31.5Very low29.7Very low163 Ų163140.3 Ų140.385%0.85383%0.829SS**  trans68.6150.8177.2-55.5173.2000114.7
630S29.5Very low29.5Very low111 Ų111137.9 Ų137.978%0.77683%0.826SS**  cis-157.4176-9.138.30000111.7
631I28.6Very low29.3Very low164 Ų164136.9 Ų136.984%0.84183%0.826SS**  trans-58.7145.8-177.1-64.6156.1000114
632G28.2Very low29.3Very low74 Ų74133.7 Ų133.776%0.76383%0.825SS**  trans-161.7130.1163.300000112.2
633Q30.2Very low29Very low196 Ų196137.3 Ų137.392%0.91683%0.825SS**  trans-94.9154.8-179.6-63.3157.4-76.100111.3
634G27.9Very low28.7Very low82 Ų82135.9 Ų135.985%0.84583%0.826SS**  trans175.886174.300000116.3
635M28Very low28.4Very low188 Ų188140.4 Ų140.493%0.92683%0.831SS**  trans-81.5164.9160-68.9173.36600109.9
636A27.6Very low28.3Very low89 Ų89138.3 Ų138.374%0.73683%0.83SS**  cis-174.2143.2-29.700000107.1
637A29.5Very low28.8Very low106 Ų106136.5 Ų136.588%0.87683%0.827SS**  trans-149.1122.3172.700000113.8
638R26.3Very low29Very low250 Ų250141 Ų14194%0.94383%0.825SS**  trans-94162.1158.6-76.6174.1178.4159.6-2.8107.5
639A27.9Very low29.2Very low76 Ų76142.1 Ų142.163%0.62883%0.83SS**  cis-171.8178.1-1600000107.7
640N27Very low28.9Very low157 Ų157137 Ų13784%0.8482%0.817SS**  trans69.2153.4169.1-57.2-14.1000114.6
641S27Very low28.8Very low123 Ų123140.2 Ų140.286%0.8682%0.819SS**  cis-131.1176.622.5-680000115
642L26.6Very low28.6Very low163 Ų163139.1 Ų139.185%0.85381%0.811SS**  trans-86.1-179.2-174.2-77.7163.2000114.2
643Q29.1Very low28.6Very low174 Ų174143 Ų14381%0.81381%0.813SS**  trans85.8114.2167.8-59.5173.3-25.900114.2
644L27.2Very low29.4Very low163 Ų163138.8 Ų138.885%0.85380%0.803SS**  63.999.663.6-72.5167.2000112.8
645L24.5Very low30.6Very low169 Ų169140.5 Ų140.589%0.88580%0.799SS**  -167.1150.7129.2-104.9165.7000110.7
646S27.8Very low30.8Very low110 Ų110139.2 Ų139.277%0.76979%0.791SS**  trans-171.3156.2173-770000108.3
647P43.3Very low31Very low116 Ų116142.5 Ų142.575%0.75379%0.793SS**  cis-124.4-169.6-0.339.6-22.8000114.1
648Q32.6Very low31.1Very low178 Ų178141.7 Ų141.783%0.83278%0.777SS**  trans-19149.8167.3-57.1176.14.800118.9
649P33.8Very low31.4Very low132 Ų132136.7 Ų136.786%0.85777%0.774SS**  -110.9175.785.335-37.2000112.8
650G24.6Very low31.5Very low57 Ų57137.5 Ų137.559%0.58878%0.78SS**  cis137.7117.2-4.600000112
651E26.9Very low31.7Very low177 Ų177141.3 Ų141.383%0.82778%0.783SS**  trans68.2154.2173.3-52.9-157.1100.600115.4
652Q24.6Very low32Very low142 Ų142139.6 Ų139.666%0.66477%0.771SS**  cis-162.3175.5-2.6-128.7177.347.300111.5
653L28.4Very low32.3Very low155 Ų155136.9 Ų136.981%0.81277%0.766SS**  trans93.6147.3157.1-67.7155.7000122.9
654P47.4Very low32.4Very low108 Ų108134.5 Ų134.570%0.70176%0.763SS**  trans-110.9-155.2-176.548.1-39.1000112.2
655P53.5Low32.8Very low117 Ų117134.3 Ų134.376%0.7676%0.755SS**  cis-133.2-160.6-2.547.2-28.3000113.6
656E31.8Very low33.1Very low162 Ų162132.7 Ų132.776%0.75774%0.743SS**  cis-129.3-104.6-3.4-166.9-156.8102.500112.4T658E656-T658 PolarHBondContact OE1-N 3.23Å
657M32.1Very low33.5Very low158 Ų158133.7 Ų133.778%0.77875%0.745SS**  cis-151.7131.2-3.9-164179.2171.900115
658T30.3Very low33.1Very low89 Ų89132.5 Ų132.555%0.54674%0.739SS.*  trans54.9111.1162.445.60000122.1E656E656-T658 PolarHBondContact OE1-N 3.23Å
659V33.5Very low33.4Very low144 Ų144133.6 Ų133.687%0.87374%0.736SS**  62.6133.1119.2173.30000118.8
660A30.6Very low33.6Very low93 Ų93134.8 Ų134.877%0.76973%0.729SS**  cis-149.4172.229.200000117.6
661R30.5Very low33.9Very low238 Ų238134.8 Ų134.890%0.89873%0.729SS**  trans-45.8170.4164.7-79178.3175.7169.1-3.1117.8
662S32.4Very low34.4Very low87 Ų87133.5 Ų133.561%0.60873%0.734SS**  cis177154-25.859.30000112.2
663S33Very low34.9Very low105 Ų105131.3 Ų131.373%0.73473%0.734SS**  trans64.1163.1148.167.50000120.3
664V32.6Very low35.3Very low124 Ų124128.4 Ų128.475%0.75273%0.727SS**  cis-165.9142.3-23.4136.70000109.3
665K34.6Very low34.7Very low160 Ų160132 Ų13270%0.69673%0.732SS**  trans49.4138.4155.6-79.4176.1153.7-125.30125.3
666E31.5Very low33.9Very low134 Ų134133.6 Ų133.663%0.62673%0.729SS**  trans76.9123.1130.3-72.9164.6-176.200125.2
667T35.3Very low34Very low132 Ų132131.6 Ų131.681%0.8173%0.728SS**  trans70.4152.2141.355.80000120.5
668S36.3Very low34Very low90 Ų90134.3 Ų134.363%0.62973%0.73SS**  cis-170.5174.2-12.452.10000112.4
669R37.8Very low34.3Very low202 Ų202137.7 Ų137.776%0.76274%0.739SS**  trans71.5159.5161.8-60.5-174.4127.6110.312.8118
670E38.2Very low34.2Very low156 Ų156140.3 Ų140.373%0.72974%0.739SS**  cis-168.5167.4-25.7-100.8155.3-171.600105
671G31.5Very low34.4Very low57 Ų57140.1 Ų140.159%0.58873%0.732SS**  cis170.5179.8-0.300000110.2
672T37Very low34.6Very low151 Ų151137.5 Ų137.593%0.92673%0.73SS**  trans66.9149.3169.363.50000119
673S34.2Very low34.5Very low95 Ų95137 Ų13766%0.66474%0.738SS**  cis-165.4169-12.452.60000113.5
674S37.8Very low34.3Very low94 Ų94135.6 Ų135.666%0.65774%0.74SS**  trans65.6151.4143.951.10000122.7
675F34.8Very low34.3Very low185 Ų185135.4 Ų135.481%0.81174%0.739SS**  cis-171.5158.5-29.4-109.8-43000114
676H36Very low34.3Very low150 Ų150137.7 Ų137.769%0.69475%0.745SS**  trans63.7111.8142.9-86.2-60.6000127.3
677T34Very low34.3Very low120 Ų120139.7 Ų139.774%0.73675%0.753SS**  trans62164.1130.39.90000121.9
678R31.8Very low34.4Very low215 Ų215139 Ų13981%0.81175%0.745SS**  cis-153.6168.41.8-167.3168.6174.3-175.1-0.9112.6
679Q36.6Very low34.9Very low159 Ų159140.2 Ų140.274%0.74375%0.751SS**  trans-60.2158.1175.5-44.4149-64.100117.3
680K32.5Very low34.7Very low200 Ų200138.8 Ų138.887%0.8775%0.752SS**  -163.1-166.1121.9-118.6-170.2174.8-158.60114.9
681S33.3Very low34.4Very low88 Ų88136.6 Ų136.662%0.61575%0.754SS**  trans-141.5-174.2-148.352.90000115.8
682E34.7Very low34.3Very low184 Ų184141.2 Ų141.286%0.8677%0.765SS**  trans86.2155.2173.1-58.4161.4-149.300115.9
683G31.7Very low34Very low76 Ų76142.1 Ų142.178%0.78476%0.764SS**  cis170.5159-6.800000113.3
684G28.1Very low33.8Very low75 Ų75140 Ų14077%0.77376%0.757SS**  trans93.2131.6177.300000115.3
685V33.6Very low33.4Very low121 Ų121142.8 Ų142.873%0.73377%0.771SS**  cis104.4129.95.4-167.60000116.4
686Y32.7Very low33.3Very low208 Ų208138.4 Ų138.482%0.81677%0.769SS**  trans67.2145.3-176.5-60.4-64.8000115.8
687H33.3Very low33.9Very low175 Ų175136.4 Ų136.481%0.8177%0.769SS**  cis-147.8166.122.1-128.2-77.3000112.6
688D36.5Very low33.8Very low117 Ų117138.9 Ų138.963%0.62677%0.77SS**  trans-121.2149.5162.4-179.233.3000108.6
689P45.9Very low33.8Very low116 Ų116135.1 Ų135.175%0.75376%0.761SS**  -149153117.138.5-22.5000117.6
690H34.3Very low33.6Very low173 Ų173134.9 Ų134.980%0.80177%0.765SS**  trans-64.7149.7160.9-78.1-96.8000114.5
691S31.9Very low33.6Very low109 Ų109135.6 Ų135.676%0.76276%0.763SS**  179.1136.3118.460.60000115.2
692D29Very low33.5Very low154 Ų154138.4 Ų138.482%0.82477%0.765SS**  trans43111.8147-62.8-2.2000124.2
693D31.4Very low33.3Very low170 Ų170136 Ų13691%0.90976%0.758SS**  64.7151.9108.5-153.520.2000122.5
694G29.2Very low33.2Very low50 Ų50142 Ų14252%0.51576%0.758SS.*  trans109.991.3160.100000117.8
695T30.2Very low33.3Very low154 Ų154145 Ų14595%0.94576%0.757SS**  trans138.7138131.256.50000116
696A31.9Very low33.1Very low93 Ų93147 Ų14777%0.76976%0.763SS**  trans-130.7167.1166.100000107.7
697P48.8Very low33.5Very low107 Ų107142.3 Ų142.370%0.69576%0.758SS**  -156.2179.983.742-23.1000116.7
698K32.3Very low33.6Very low172 Ų172140.2 Ų140.275%0.74876%0.757SS**  trans75.3145.6163.6-65.6162.4165.8-95.10116.3
699E31.8Very low33.6Very low136 Ų136140.5 Ų140.564%0.63677%0.766SS**  cis-153.5173.61.1-133.2156.4-130.700114.4
700N31.9Very low32.8Very low155 Ų155146 Ų14683%0.82977%0.771SS**  trans80157.3166.2-67.6-36.3000121.2
701R33.9Very low32.8Very low215 Ų215149.8 Ų149.881%0.81178%0.779SS**  trans-163.8177.3-147.9-165.6178.5-172.61783.5111
702H29.5Very low32.7Very low146 Ų146151 Ų15168%0.67678%0.781SS**  trans94.6114171.3-57.9-79000115
703L30.3Very low32.6Very low134 Ų134147.4 Ų147.470%0.70278%0.78SS**  71.5137.186.4-86.669.5000112.2
704Y30.5Very low32.4Very low201 Ų201143.6 Ų143.679%0.78877%0.767SS**  cis-148.2-174.940.5-129.2-84.4000114.5
705N30Very low32.4Very low140 Ų140150.8 Ų150.875%0.74979%0.785SS**PPolyproline II helixtrans-68.9160.2-174.5-50.8-32.9000117.3
706D29.4Very low32.3Very low161 Ų161153.7 Ų153.786%0.86178%0.78SS**PPolyproline II helixtrans-101.2143.9161.3-119.2-29.3000111.6
707P40.7Very low32.3Very low111 Ų111160.7 Ų160.772%0.72179%0.786SS**PPolyproline II helixtrans-99.4151.1-171.536.8-34.4000115.9
708V35.8Very low31.3Very low130 Ų130162.2 Ų162.279%0.78879%0.794SS**PPolyproline II helixtrans-88.8123.3172.2177.40000111.3
709P36.3Very low31.3Very low123 Ų123159.4 Ų159.480%0.79979%0.793SS**PPolyproline II helixtrans-76.8123.1169.729.1-30.4000111.1
710R30.1Very low31.2Very low232 Ų232158.2 Ų158.288%0.87580%0.8SS**PPolyproline II helixtrans-78.5160.6174.8-67.1-176.7178.4-173.60.3111.5V712R710-V712 PolarHBondContact O-N 2.83Å
711R34.3Very low31.3Very low252 Ų252156.8 Ų156.895%0.95180%0.799SS**PPolyproline II helixtrans-55.2133160.9-70.5-178.9179.7170.9-0.6109.9
712V29.7Very low31.1Very low135 Ų135157.5 Ų157.582%0.81880%0.801SS**  trans-130.6126.6154.8-175.60000106.7R710R710-V712 PolarHBondContact O-N 2.83Å
713G27.4Very low31.4Very low78 Ų78156.1 Ų156.180%0.80481%0.806SS**  trans-99.1136.5166.800000108.9
714S26.7Very low31.3Very low91 Ų91157.5 Ų157.564%0.63681%0.813SS**  trans-138.9130.1168.8-162.70000110Y716S714-Y716 WeakPolarHBondContact OG-CE2 3.47Å
715F29.6Very low31.3Very low200 Ų200155.1 Ų155.188%0.87781%0.814SS**  trans-67.2140.9157.5-75.1-110.8000108
716Y27Very low31.3Very low216 Ų216154.2 Ų154.285%0.84782%0.819SS**  trans-145.5138.8147.6-90.6-70.4000109.8S714S714-Y716 WeakPolarHBondContact OG-CE2 3.47Å
717R32.6Very low31.3Very low240 Ų240155.7 Ų155.791%0.90682%0.818SS**PPolyproline II helixtrans-77.2140.1167.8-68.4-179.2177.3-177.7-1108.6
718V28.4Very low30.9Very low139 Ų139159.5 Ų159.584%0.84283%0.826SS**PPolyproline II helixtrans-81.2128.3164.2-177.10000108.4
719P31.4Very low30.6Very low112 Ų112161.8 Ų161.873%0.72783%0.828SS**PPolyproline II helixtrans-75.2145.5172.6-13.829.8000111.9
720S29.1Very low30.2Very low112 Ų112162.6 Ų162.678%0.78383%0.826SS**PPolyproline II helixtrans-73.6134.8167.7-53.10000110.7
721P34.4Very low30.1Very low125 Ų125158.1 Ų158.181%0.81282%0.819SS**PPolyproline II helixtrans-71.8135.2170.529.6-32.8000110.8
722R30.6Very low29.9Very low229 Ų229152.3 Ų152.386%0.86481%0.812SS**PPolyproline II helixtrans-101.3152.4157.3-78.4-176172-177-2.9108.5
723P35.3Very low29.9Very low118 Ų118150.7 Ų150.777%0.76681%0.806SS**PPolyproline II helixtrans-82.1129.7176.532.2-32.4000111.1
724D29Very low30Very low162 Ų162152.6 Ų152.687%0.86680%0.802SS**  trans-93.6115.1167.6-72.2-41.5000109.8
725N29.3Very low30.1Very low151 Ų151159.2 Ų159.281%0.80781%0.813SS**  trans-99.2106.4170.3-88.6-11.7000109.4
726S30.4Very low30.1Very low121 Ų121155.4 Ų155.485%0.84681%0.806SS**  trans-91.4108.4170.958.10000111
727F29.5Very low30.2Very low193 Ų193150.6 Ų150.685%0.84680%0.804SS**PPolyproline II helixtrans-93.1143.5167.4-100.1-93.2000110.9
728H31.1Very low30.1Very low191 Ų191144 Ų14488%0.88479%0.794SS**PPolyproline II helixtrans-89.5146.7163.8-91.8-67.2000110.5
729E29.8Very low30.2Very low177 Ų177145.3 Ų145.383%0.82780%0.796SS**PPolyproline II helixtrans-80.7146.8173.8-61.5-179.6108.300112.7
730N27.9Very low31.1Very low140 Ų140145.2 Ų145.275%0.74980%0.795SS**  -171134.2118.8-105.9-68.1000112.5
731N29.4Very low31.2Very low138 Ų138144.8 Ų144.874%0.73879%0.792SS**  trans33.6130.9150.9-58.1-42.9000119.8
732V29.4Very low30.9Very low131 Ų131147.4 Ų147.479%0.79479%0.794SS**  -164.713270.2153.70000112.8
733S30.4Very low31Very low100 Ų100141.4 Ų141.470%0.69979%0.787SS**  trans58.8143.1148.3-65.90000126.4
734T28.7Very low30.8Very low118 Ų118140.8 Ų140.872%0.72479%0.785SS**  trans86.6101.8140.834.40000123.3
735R29.3Very low30.9Very low231 Ų231139 Ų13987%0.87279%0.786SS**  65.7135127.3-70.2-178173.8-175.6-1.6118.3
736V29.3Very low30.9Very low120 Ų120134.8 Ų134.873%0.72778%0.778SS**  cis-175.4163.126108.20000112.3
737S28.9Very low30.9Very low115 Ų115135.3 Ų135.380%0.80478%0.776SS**  trans69.6151.7160.965.50000121.5
738S30.9Very low30.9Very low100 Ų100132.6 Ų132.670%0.69977%0.77SS**  trans-156130.5-173.955.80000112.6
739L29.9Very low30.9Very low168 Ų168131 Ų13188%0.8876%0.763SS**  trans62175156.6-60.9172.6000116.9
740P50.3Low31Very low109 Ų109127 Ų12771%0.70876%0.755SS**  cis-128.2-173.5-10.236.8-18.8000115.5
741S31.2Very low31.2Very low104 Ų104130.4 Ų130.473%0.72776%0.763SS**  trans101.9130.5136.569.90000123.7
742E29.4Very low31.1Very low179 Ų179134.9 Ų134.984%0.83677%0.769SS**  trans70.2100.9140.4-73.9-175.6-171.100125.5
743S32.4Very low31.1Very low104 Ų104136.8 Ų136.873%0.72777%0.769SS**  120.8140.499.273.90000121.7
744S30.8Very low32Very low104 Ų104137.6 Ų137.673%0.72777%0.773SS**  trans88115.1147.276.50000123.5
745S31.8Very low32Very low125 Ų125136.8 Ų136.887%0.87478%0.777SS**  trans64.6142.4152.468.50000121
746G28.9Very low32Very low62 Ų62135 Ų13564%0.63978%0.776SS**  cis-179.6178.7-5.500000114.3
747T30.2Very low32.2Very low133 Ų133135.6 Ų135.682%0.81678%0.775SS**  trans64.9115.4176.159.90000117.1
748N29.6Very low33.2Very low135 Ų135134.9 Ų134.972%0.72277%0.768SS**  80.9134.171.8-69.4-5.4000113.7
749H31.6Very low33.1Very low158 Ų158140.8 Ų140.873%0.73178%0.775SS**  cis-154.4168.53.8-123.8-54.3000114.2
750S30.4Very low33.1Very low93 Ų93142.1 Ų142.165%0.6577%0.774SS**  trans-21.8136.9167-56.10000118.9
751K32.8Very low32.1Very low212 Ų212142.2 Ų142.292%0.92278%0.777SS**  69.814870.6-76.2-174.6176.3178.90115.7
752R27.3Very low32.8Very low232 Ų232142.3 Ų142.388%0.87578%0.775SS**  trans-146.2158.6-160.7-158.3-174.8-166.3-159.45.9113.2
753Q29.8Very low32.9Very low170 Ų170141.7 Ų141.779%0.79477%0.772SS**  trans76.5164.5169.6-55.5-153.4-47.400117.5
754P48.7Very low32.7Very low118 Ų118142.6 Ų142.677%0.76677%0.769SS**  cis-133.6-171.1-2.934-12.5000116.3
755A29.3Very low32.7Very low100 Ų100144.8 Ų144.883%0.82677%0.771SS**  trans119.5150.9136.700000122
756F28.2Very low32.5Very low194 Ų194142.8 Ų142.885%0.85176%0.757SS**  trans-87.1155.6-163.2-94.4-114.2000117.5
757D33Very low32.6Very low132 Ų132148.6 Ų148.671%0.70677%0.767SS**  trans36.3179.2130.3-97.9-42.4000122.9
758P50.6Low32.6Very low100 Ų100146.8 Ų146.865%0.64976%0.76SS**  cis-138.8167.3-11.825.8-0.9000118.7
759W29.8Very low32.6Very low225 Ų225149 Ų14985%0.85277%0.766SS**  trans51.9133.3140.1-69.742.3000124.6
760K29.9Very low32.6Very low195 Ų195150.9 Ų150.985%0.84878%0.775SS**  176.3153.5100-96.7-168.7179.2-177.60115.4
761S28.5Very low32.7Very low111 Ų111153.7 Ų153.778%0.77678%0.782SS**  trans-99.9179.2173.1-43.30000112.4
762P46.6Very low32.8Very low106 Ų106154 Ų15469%0.68878%0.783SS**  -147.9159.389.539.8-23.7000117.4
763E30.6Very low33.3Very low166 Ų166152 Ų15278%0.77678%0.784SS**  trans64.5149.8149.7-73.8166.3-128.500119.9
764N28.9Very low33.6Very low124 Ų124152.1 Ų152.166%0.66378%0.782SS**  cis-154.3171.49-139.5-38.7000114.3
765I30.4Very low32.9Very low149 Ų149155.6 Ų155.676%0.76479%0.788SS**  trans78.7115.4155.9-64.1161.4000121.2
766S28.3Very low33.3Very low83 Ų83160.5 Ų160.558%0.5879%0.791SS**  trans49.8111.9142.7-155.10000122.8
767H31.1Very low33.8Very low184 Ų184159.6 Ų159.685%0.85279%0.789SS**  -168173.890.1-102.5-69.3000112.3
768S29.9Very low33.9Very low95 Ų95156.9 Ų156.966%0.66479%0.792SS**  trans-110145.4-158.851.50000116.1
769E29.4Very low33Very low183 Ų183161.6 Ų161.686%0.85580%0.803SS**  trans47.786.9148.9-61.2-166.6124.400120.1
770Q31.8Very low33.1Very low196 Ų196160.7 Ų160.792%0.91681%0.805SS**  trans-166.290.8135.5-113.4176.750.500112
771L31.3Very low33.3Very low153 Ų153162.6 Ų162.680%0.80181%0.807SS**  trans-175.791.8158.9-108.6162.6000111.1K774L771-K774 HydrophobicContact CD2-CB 4.23Å
772K35Very low33.5Very low218 Ų218163 Ų16395%0.94881%0.81SS**  trans-141.726.5169.2-133.1172.9-171.5174.10114.6
773E37.5Very low32.9Very low190 Ų190166.9 Ų166.989%0.88882%0.821SS**SBendtrans-139.650.1178.8-161.5167.4-136.200112.1
774K36.7Very low32.9Very low172 Ų172172.6 Ų172.675%0.74884%0.843SS**SBendtrans-146.922.9173.9-124.6165-170.9172.40117L771L771-K774 HydrophobicContact CD2-CB 4.23Å
775E34.8Very low33.1Very low191 Ų191175 Ų17589%0.89385%0.852SS**SBendtrans-126.236.3177.4-150.5167.7-143.600113.5
776K38Very low33.2Very low204 Ų204176.4 Ų176.489%0.88786%0.857SS**SBendtrans-129.519.2167.6-78.1-168.1174.91800114.3
777Q37.3Very low33.5Very low175 Ų175181.6 Ų181.682%0.81887%0.872SS**SBendtrans-116.113.7176-72.6-174.5-17.600114
778G35Very low33.6Very low75 Ų75181.4 Ų181.477%0.77387%0.873SS**SBendtrans-89.4-15.1177.100000116
779F32.2Very low33.9Very low198 Ų198186.8 Ų186.887%0.86889%0.887SS**SBendtrans-107.6-1.5-165-146.3-98.2000115.7
780F32Very low34.2Very low207 Ų207187.1 Ų187.191%0.90889%0.889SS**SBendtrans-114.645.3179.2-89.9-80.9000112.4
781R33.3Very low34.3Very low235 Ų235186.4 Ų186.489%0.88789%0.887SS**SBendtrans-136.121.6175.3-138.3-179.9-172.4-155-0115.8
782S34.2Very low34.6Very low118 Ų118189 Ų18983%0.82589%0.893SS**SBendtrans-131.156.3169.4-63.90000111.5
783M33.4Very low34.5Very low189 Ų189186.6 Ų186.693%0.93189%0.889SS**  trans-172.681.6157.8-105.4-168.7-59.600108.6
784K29.8Very low34.3Very low285 Ų285186.3 Ų186.3100%1.23989%0.889SS**  trans-164.60161.7-133.7-177.4-176.4-175.70110.3

Retrieved 784 of 784 residues in 433.6 ms (Link to these results)

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