A0A087YGH9_POEFO Loading...

Cyclin-dependent kinase-like 5

Mediates phosphorylation of MECP2. May regulate ciliogenesis.

AlphaFold DB , UniProt , Accession A0A087YGH9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,142 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
1M86.5Confident93.4Very high35 Ų3561.5 Ų61.517%0.17234%0.344CS..  0-45.70-64.6-42-76.800115.2K3 F4 V6 L19 I32 F70 Y77M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 2.8Å; M1-F4 CarbonylContact O-C 3.55Å; M1-F4 WeakPolarHBondContact O-CA 3.41Å; M1-F4 PolarHBondContact O-N 3.39Å; M1-V6 HydrophobicContact CE-CG2 3.7Å; M1-L19 HydrophobicContact CE-CD1 4.37Å; M1-I32 HydrophobicContact SD-CD1 4.1Å; M1-I32 HydrophobicContact SD-CG2 4.47Å; M1-F70 HydrophobicContact CG-CE2 3.9Å; M1-F70 HydrophobicContact CG-CZ 3.87Å; M1-F70 HydrophobicContact SD-CE2 4.3Å; M1-F70 HydrophobicContact SD-CZ 3.68Å; M1-Y77 HydrophobicContact CG-CD1 4.12Å; M1-Y77 HydrophobicContact CG-CE1 3.84Å; M1-Y77 HydrophobicContact SD-CD1 3.81Å; M1-Y77 HydrophobicContact SD-CE1 3.94Å
2N89.1Confident92.8Very high123 Ų12366.4 Ų66.466%0.65836%0.363SS*.THydrogen-bonded Turntrans-57.4-40.2-177.3-67.819.3000112.7F4 K24 R72N2-F4 PolarHBondContact O-N 2.81Å; N2-K24 PolarHBondContact O-NZ 3.3Å; N2-R72 PolarHBondContact OD1-NH2 2.72Å
3K94.2Very high91.5Very high93 Ų9364.5 Ų64.540%0.40437%0.367SS..THydrogen-bonded Turntrans-63.3-12.3170-71.4179.3160.6-92.90115.9M1 H23 K24 E25M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 2.8Å; K3-H23 PolarHBondContact O-CD2 3.3Å; K3-K24 WeakPolarHBondContact O-CB 3.47Å; K3-K24 WeakPolarHBondContact O-CG 3.48Å; K3-K24 PolarHBondContact O-N 3.21Å; K3-E25 VanDerWaalsContact NZ-CD 3.3Å; K3-E25 IonicContact NZ-OE1 3.01Å; K3-E25 PolarHBondContact NZ-OE1 2.85Å; K3-E25 IonicContact NZ-OE2 3.57Å; K3-E25 PolarHBondContact NZ-OE2 3.45Å
4F96.9Very high90Very high13 Ų1365.9 Ų65.96%0.05739%0.391CS..EExtended strand (participates in β ladder)trans-117.7131.4-171.8-64.5-72.7000111.1M1 N2 C21 R22 H23 V30 I32 E68 F70 V79M1-F4 CarbonylContact O-C 3.55Å; M1-F4 WeakPolarHBondContact O-CA 3.41Å; M1-F4 PolarHBondContact O-N 3.39Å; N2-F4 PolarHBondContact O-N 2.81Å; F4-C21 HydrophobicContact CB-CB 4.26Å; F4-C21 HydrophobicContact CD1-CB 4.42Å; F4-R22 WeakPolarHBondContact CA-O 3.4Å; F4-H23 HydrophobicContact CD1-CB 4.05Å; F4-H23 AromaticContact CD1-CD2 3.96Å; F4-H23 HydrophobicContact CE1-CB 3.8Å; F4-H23 AromaticContact CE1-CD2 3.5Å; F4-H23 VanDerWaalsContact CE1-CD2 3.5Å; F4-H23 WeakPolarHBondContact CE1-CD2 3.4Å; F4-H23 AromaticContact CE1-CG 3.99Å; F4-H23 AromaticContact CZ-CD2 3.82Å; F4-V30 HydrophobicContact CD1-CG2 3.75Å; F4-V30 HydrophobicContact CE1-CG2 3.61Å; F4-I32 HydrophobicContact CB-CD1 4.05Å; F4-I32 HydrophobicContact CD1-CD1 3.93Å; F4-I32 HydrophobicContact CD2-CD1 3.82Å; F4-I32 HydrophobicContact CE1-CD1 4.34Å; F4-I32 HydrophobicContact CE2-CD1 4.26Å; F4-I32 HydrophobicContact CG-CD1 3.66Å; F4-I32 HydrophobicContact CZ-CD1 4.5Å; F4-E68 WeakPolarHBondContact CE2-OE1 3.49Å; F4-E68 VanDerWaalsContact CZ-OE1 3.25Å; F4-E68 WeakPolarHBondContact CZ-OE1 3.37Å; F4-F70 HydrophobicContact CD2-CE1 4.28Å; F4-F70 AromaticContact CE2-CE1 3.9Å; F4-F70 HydrophobicContact CE2-CE1 3.9Å; F4-V79 HydrophobicContact CE1-CG1 4.26Å; F4-V79 HydrophobicContact CE2-CG2 4.23Å; F4-V79 HydrophobicContact CZ-CG1 4.02Å; F4-V79 HydrophobicContact CZ-CG2 4.17Å
5E97.2Very high88.8Confident71 Ų7166.4 Ų66.433%0.33238%0.384SS..EExtended strand (participates in β ladder)trans-92.3132.3166.8-177.5-171.1174.200108.3L7 C21 R22 K24E5-L7 HydrophobicContact CG-CD2 4.2Å; E5-C21 CarbonylContact O-C 3.45Å; E5-C21 WeakPolarHBondContact O-CA 3.24Å; E5-C21 VanDerWaalsContact O-CB 3.23Å; E5-C21 WeakPolarHBondContact O-CB 3.41Å; E5-R22 HydrophobicContact CB-CB 4.41Å; E5-R22 PolarHBondContact N-O 3.17Å; E5-R22 PolarHBondContact O-N 2.87Å; E5-R22 IonicContact OE1-CZ 2.9Å; E5-R22 IonicContact OE1-NH2 2.82Å; E5-R22 PolarHBondContact OE1-NH2 3.01Å; E5-R22 IonicContact OE2-CZ 3.26Å; E5-R22 IonicContact OE2-NE 2.74Å; E5-R22 PolarHBondContact OE2-NE 3.42Å; E5-R22 IonicContact OE2-NH2 2.83Å; E5-R22 PolarHBondContact OE2-NH2 2.86Å; E5-K24 HydrophobicContact CB-CG 4.29Å
6V97.3Very high88.6Confident75 Ų7562.8 Ų62.846%0.45537%0.366SS..EExtended strand (participates in β ladder)trans-90.9115.2178.2-178.80000108.4M1 L19M1-V6 HydrophobicContact CE-CG2 3.7Å; V6-L19 HydrophobicContact CG1-CB 4.36Å; V6-L19 HydrophobicContact CG1-CD1 4.42Å; V6-L19 HydrophobicContact CG1-CD2 4.41Å; V6-L19 HydrophobicContact CG2-CD1 4.33Å
7L97.3Very high88.8Confident78 Ų7860.1 Ų60.141%0.40835%0.35SS..EExtended strand (participates in β ladder)trans-88.5-23178.4-55.8-177.4000112.3E5 K20 R22 L29E5-L7 HydrophobicContact CG-CD2 4.2Å; L7-K20 HydrophobicContact CB-CG 4.4Å; L7-K20 HydrophobicContact CD1-CG 4.47Å; L7-K20 PolarHBondContact N-O 3.46Å; L7-R22 HydrophobicContact CD1-CB 4.08Å; L7-R22 HydrophobicContact CD2-CB 4.31Å; L7-R22 HydrophobicContact CG-CB 4.25Å; L7-L29 HydrophobicContact CD1-CD2 3.56Å
8G96.1Very high89.1Confident30 Ų3059.3 Ų59.331%0.30935%0.346SS..EExtended strand (participates in β ladder)trans168.1-174.6176.700000113.4L19 K20G8-L19 CarbonylContact O-C 3.44Å; G8-L19 WeakPolarHBondContact O-CA 3.48Å; G8-K20 PolarHBondContact N-O 2.83Å; G8-K20 PolarHBondContact O-N 2.82Å
9I94.9Very high89.5Confident81 Ų8157.2 Ų57.242%0.41533%0.333SS..EExtended strand (participates in β ladder)trans-95.4136.4171.4-54.5177.7000108.2V17 L19 R674I9-V17 HydrophobicContact CD1-CG2 4.34Å; I9-V17 HydrophobicContact CG1-CG2 4.36Å; I9-V17 HydrophobicContact CG2-CG2 3.57Å; I9-L19 HydrophobicContact CG1-CD2 3.92Å; I9-R674 PolarHBondContact O-NE 3.23Å; I9-R674 PolarHBondContact O-NH1 2.69Å; I9-R674 PolarHBondContact O-NH2 2.82Å
10V91.9Very high89.9Confident51 Ų5157.1 Ų57.131%0.30933%0.329SS..EExtended strand (participates in β ladder)trans-91.3-48.6170.3-179.70000110V18 K20 Y82 R674V10-V18 HydrophobicContact CB-CB 4.27Å; V10-V18 HydrophobicContact CB-CG1 4.03Å; V10-V18 HydrophobicContact CG2-CG1 4.42Å; V10-V18 PolarHBondContact N-O 2.97Å; V10-K20 HydrophobicContact CG2-CB 3.69Å; V10-Y82 HydrophobicContact CG2-CE2 4.09Å; V10-R674 VanDerWaalsContact O-CZ 3.24Å; V10-R674 PolarHBondContact O-NH1 3.46Å; V10-R674 PolarHBondContact O-NH2 3.03Å
11G85.9Confident90.3Very high26 Ų2654.4 Ų54.427%0.26831%0.313SS..EExtended strand (participates in β ladder)trans-154.1158.9178.100000111.9V18G11-V18 PolarHBondContact N-O 3.16Å; G11-V18 PolarHBondContact O-N 3.3Å
12E86.1Confident90.8Very high121 Ų12156.7 Ų56.757%0.56532%0.32SS*.EExtended strand (participates in β ladder)trans-133.2138.3168.5-170.7176.1155.700108.6V17 K36E12-V17 HydrophobicContact CB-CG2 4.32Å; E12-V17 HydrophobicContact CG-CB 4.27Å; E12-V17 HydrophobicContact CG-CG2 4.42Å; E12-K36 WeakPolarHBondContact OE1-CE 3.17Å; E12-K36 IonicContact OE1-NZ 3.54Å; E12-K36 PolarHBondContact OE1-NZ 2.75Å
13G76.1Confident91.2Very high41 Ų4151.8 Ų51.842%0.42329%0.293SS..  trans-146.5-163.7-179.800000111.7G16 K36G13-G16 PolarHBondContact N-O 3.32Å; G13-K36 PolarHBondContact O-NZ 2.94Å
14A70.5Confident91.4Very high84 Ų8453 Ų5369%0.69430%0.298SS*.SBendtrans-59.3-53.8179.600000112G16A14-G16 VanDerWaalsContact C-N 3.35Å; A14-G16 PolarHBondContact O-N 3.06Å
15Y72.5Confident91.3Very high74 Ų7458.3 Ų58.329%0.2932%0.323SS..SBendtrans-70.9-22.5-173.1-53.2-73000115.3F35 K36 F147 Y162Y15-F35 WeakPolarHBondContact O-CA 3.46Å; Y15-K36 PolarHBondContact O-N 3.49Å; Y15-F147 HydrophobicContact CE2-CE2 4.04Å; Y15-F147 HydrophobicContact CE2-CZ 4.42Å; Y15-F147 WeakPolarHBondContact OH-CZ 3.31Å; Y15-Y162 VanDerWaalsContact OH-CE1 3.23Å; Y15-Y162 WeakPolarHBondContact OH-CE1 3.23Å; Y15-Y162 PolarHBondContact OH-OH 2.84Å
16G85.3Confident91.3Very high9 Ų959 Ų599%0.09333%0.332CS..EExtended strand (participates in β ladder)trans173.5-168.9-163.900000115.7G13 A14 K34G13-G16 PolarHBondContact N-O 3.32Å; A14-G16 VanDerWaalsContact C-N 3.35Å; A14-G16 PolarHBondContact O-N 3.06Å; G16-K34 CarbonylContact C-O 3.56Å; G16-K34 WeakPolarHBondContact CA-O 3.44Å
17V91.9Very high91.3Very high17 Ų1760.5 Ų60.510%0.10334%0.338CS..EExtended strand (participates in β ladder)trans-127.9132.6172.263.30000108.9I9 E12 L19 K34I9-V17 HydrophobicContact CD1-CG2 4.34Å; I9-V17 HydrophobicContact CG1-CG2 4.36Å; I9-V17 HydrophobicContact CG2-CG2 3.57Å; E12-V17 HydrophobicContact CB-CG2 4.32Å; E12-V17 HydrophobicContact CG-CB 4.27Å; E12-V17 HydrophobicContact CG-CG2 4.42Å; V17-L19 HydrophobicContact CG1-CD2 4.36Å; V17-L19 HydrophobicContact CG2-CD2 3.94Å; V17-K34 HydrophobicContact CG1-CB 4.08Å; V17-K34 HydrophobicContact CG1-CD 3.86Å; V17-K34 HydrophobicContact CG1-CG 4.3Å; V17-K34 PolarHBondContact N-O 2.72Å; V17-K34 PolarHBondContact O-N 2.92Å
18V94.4Very high91.2Very high45 Ų4560.7 Ų60.727%0.27334%0.337SS..EExtended strand (participates in β ladder)trans-97.8122.2175.6-175.20000108.1V10 G11 A31 I32 K33V10-V18 HydrophobicContact CB-CB 4.27Å; V10-V18 HydrophobicContact CB-CG1 4.03Å; V10-V18 HydrophobicContact CG2-CG1 4.42Å; V10-V18 PolarHBondContact N-O 2.97Å; G11-V18 PolarHBondContact N-O 3.16Å; G11-V18 PolarHBondContact O-N 3.3Å; V18-A31 HydrophobicContact CG1-CB 4.15Å; V18-I32 WeakPolarHBondContact CA-O 3.07Å; V18-K33 HydrophobicContact CG2-CB 4.36Å; V18-K33 HydrophobicContact CG2-CG 4.38Å
19L96Very high91.3Very high20 Ų2062.6 Ų62.611%0.10534%0.339CS..EExtended strand (participates in β ladder)trans-106.6131.5-177-57.3177.4000110.7M1 V6 G8 I9 V17 C21 I32M1-L19 HydrophobicContact CE-CD1 4.37Å; V6-L19 HydrophobicContact CG1-CB 4.36Å; V6-L19 HydrophobicContact CG1-CD1 4.42Å; V6-L19 HydrophobicContact CG1-CD2 4.41Å; V6-L19 HydrophobicContact CG2-CD1 4.33Å; G8-L19 CarbonylContact O-C 3.44Å; G8-L19 WeakPolarHBondContact O-CA 3.48Å; I9-L19 HydrophobicContact CG1-CD2 3.92Å; V17-L19 HydrophobicContact CG1-CD2 4.36Å; V17-L19 HydrophobicContact CG2-CD2 3.94Å; L19-C21 PolarHBondContact O-N 3.48Å; L19-I32 HydrophobicContact CB-CB 4.49Å; L19-I32 PolarHBondContact N-O 3.37Å; L19-I32 PolarHBondContact O-N 3.23Å
20K97.4Very high91.5Very high55 Ų5558.9 Ų58.924%0.23932%0.32CS..EExtended strand (participates in β ladder)trans-77.5119.3166-173.9172.1-174.4166.10106.8L7 G8 V10 Y82L7-K20 HydrophobicContact CB-CG 4.4Å; L7-K20 HydrophobicContact CD1-CG 4.47Å; L7-K20 PolarHBondContact N-O 3.46Å; G8-K20 PolarHBondContact N-O 2.83Å; G8-K20 PolarHBondContact O-N 2.82Å; V10-K20 HydrophobicContact CG2-CB 3.69Å; K20-Y82 HydrophobicContact CB-CE2 4.43Å; K20-Y82 HydrophobicContact CD-CD2 4.2Å; K20-Y82 HydrophobicContact CD-CE1 4.13Å; K20-Y82 HydrophobicContact CD-CE2 3.67Å; K20-Y82 HydrophobicContact CG-CD2 3.98Å; K20-Y82 HydrophobicContact CG-CE2 3.92Å; K20-Y82 HydrophobicContact CG-CG 4.48Å; K20-Y82 PolarHBondContact NZ-OH 2.86Å
21C97.9Very high91.7Very high0 Ų057.1 Ų57.10%031%0.311CS..EExtended strand (participates in β ladder)trans-127.1158.7-179-59.80000111.1F4 E5 L19 L29 V30 I32F4-C21 HydrophobicContact CB-CB 4.26Å; F4-C21 HydrophobicContact CD1-CB 4.42Å; E5-C21 CarbonylContact O-C 3.45Å; E5-C21 WeakPolarHBondContact O-CA 3.24Å; E5-C21 VanDerWaalsContact O-CB 3.23Å; E5-C21 WeakPolarHBondContact O-CB 3.41Å; L19-C21 PolarHBondContact O-N 3.48Å; C21-L29 WeakPolarHBondContact O-CA 3.35Å; C21-V30 HydrophobicContact CB-CG2 3.85Å; C21-V30 PolarHBondContact N-O 3.32Å; C21-V30 PolarHBondContact O-N 2.91Å; C21-I32 HydrophobicContact CB-CD1 3.82Å; C21-I32 HydrophobicContact CB-CG1 4.09Å; C21-I32 VanDerWaalsContact SG-CD1 3.59Å
22R98.1Very high92.2Very high84 Ų8455.9 Ų55.932%0.31730%0.298SS..EExtended strand (participates in β ladder)trans-111130167.4171.7164.157.1-163.3-1.3108.9F4 E5 L7 E28 L29F4-R22 WeakPolarHBondContact CA-O 3.4Å; E5-R22 HydrophobicContact CB-CB 4.41Å; E5-R22 PolarHBondContact N-O 3.17Å; E5-R22 PolarHBondContact O-N 2.87Å; E5-R22 IonicContact OE1-CZ 2.9Å; E5-R22 IonicContact OE1-NH2 2.82Å; E5-R22 PolarHBondContact OE1-NH2 3.01Å; E5-R22 IonicContact OE2-CZ 3.26Å; E5-R22 IonicContact OE2-NE 2.74Å; E5-R22 PolarHBondContact OE2-NE 3.42Å; E5-R22 IonicContact OE2-NH2 2.83Å; E5-R22 PolarHBondContact OE2-NH2 2.86Å; L7-R22 HydrophobicContact CD1-CB 4.08Å; L7-R22 HydrophobicContact CD2-CB 4.31Å; L7-R22 HydrophobicContact CG-CB 4.25Å; R22-E28 CarbonylContact C-O 3.38Å; R22-E28 WeakPolarHBondContact CA-O 3.45Å; R22-L29 HydrophobicContact CB-CD2 4.35Å
23H97.7Very high92.6Very high20 Ų2051 Ų519%0.09328%0.275CS..EExtended strand (participates in β ladder)trans-75122.8169.8-173.5-114.9000109K3 F4 E25 T26 N27 E28K3-H23 PolarHBondContact O-CD2 3.3Å; F4-H23 HydrophobicContact CD1-CB 4.05Å; F4-H23 AromaticContact CD1-CD2 3.96Å; F4-H23 HydrophobicContact CE1-CB 3.8Å; F4-H23 AromaticContact CE1-CD2 3.5Å; F4-H23 VanDerWaalsContact CE1-CD2 3.5Å; F4-H23 WeakPolarHBondContact CE1-CD2 3.4Å; F4-H23 AromaticContact CE1-CG 3.99Å; F4-H23 AromaticContact CZ-CD2 3.82Å; H23-E25 VanDerWaalsContact C-N 3.31Å; H23-E25 IonicContact CE1-OE2 2.75Å; H23-E25 PolarHBondContact CE1-OE2 2.86Å; H23-E25 IonicContact NE2-OE2 3.2Å; H23-E25 PolarHBondContact O-N 2.89Å; H23-T26 PolarHBondContact ND1-OG1 3.25Å; H23-N27 WeakPolarHBondContact O-CA 3.46Å; H23-N27 PolarHBondContact O-N 3.26Å; H23-E28 HydrophobicContact CB-CB 4.5Å; H23-E28 PolarHBondContact N-O 2.88Å
24K97.2Very high93.3Very high117 Ų11752.5 Ų52.551%0.50927%0.27SS..THydrogen-bonded Turntrans-69.7-26.2-166.9-69175.1179.8172.40114.4N2 K3 E5N2-K24 PolarHBondContact O-NZ 3.3Å; K3-K24 WeakPolarHBondContact O-CB 3.47Å; K3-K24 WeakPolarHBondContact O-CG 3.48Å; K3-K24 PolarHBondContact O-N 3.21Å; E5-K24 HydrophobicContact CB-CG 4.29Å
25E96.1Very high94.1Very high125 Ų12549 Ų4958%0.58424%0.239SC*.THydrogen-bonded Turntrans-88.1-32.8-176.4-62.1156.3-162.900111.7K3 H23K3-E25 VanDerWaalsContact NZ-CD 3.3Å; K3-E25 IonicContact NZ-OE1 3.01Å; K3-E25 PolarHBondContact NZ-OE1 2.85Å; K3-E25 IonicContact NZ-OE2 3.57Å; K3-E25 PolarHBondContact NZ-OE2 3.45Å; H23-E25 VanDerWaalsContact C-N 3.31Å; H23-E25 IonicContact CE1-OE2 2.75Å; H23-E25 PolarHBondContact CE1-OE2 2.86Å; H23-E25 IonicContact NE2-OE2 3.2Å; H23-E25 PolarHBondContact O-N 2.89Å
26T96.8Very high94.4Very high85 Ų8549 Ų4952%0.52124%0.241SC..THydrogen-bonded Turntrans-109.5-8-175.958.50000113.9H23 E28H23-T26 PolarHBondContact ND1-OG1 3.25Å; T26-E28 PolarHBondContact O-N 3.43Å; T26-E28 WeakPolarHBondContact OG1-CB 3.5Å
27N96.7Very high93.6Very high108 Ų10853.1 Ų53.158%0.57826%0.261SS*.  trans57.16.5-168.8-68.9-71.3000116H23H23-N27 WeakPolarHBondContact O-CA 3.46Å; H23-N27 PolarHBondContact O-N 3.26Å
28E96.8Very high92.2Very high82 Ų8254.2 Ų54.238%0.38327%0.269SS..  trans-60.7136.3179.2-172.8-179.5-162.800111.7R22 H23 T26 V30 K67R22-E28 CarbonylContact C-O 3.38Å; R22-E28 WeakPolarHBondContact CA-O 3.45Å; H23-E28 HydrophobicContact CB-CB 4.5Å; H23-E28 PolarHBondContact N-O 2.88Å; T26-E28 PolarHBondContact O-N 3.43Å; T26-E28 WeakPolarHBondContact OG1-CB 3.5Å; E28-V30 HydrophobicContact CG-CG1 4.24Å; E28-K67 WeakPolarHBondContact OE1-CE 2.98Å; E28-K67 IonicContact OE1-NZ 3.7Å; E28-K67 PolarHBondContact OE1-NZ 3.37Å
29L97.7Very high90.6Very high70 Ų7053.4 Ų53.437%0.36626%0.262SS..EExtended strand (participates in β ladder)trans-82.8129172-65.5-179.5000110.3L7 C21 R22 Y82L7-L29 HydrophobicContact CD1-CD2 3.56Å; C21-L29 WeakPolarHBondContact O-CA 3.35Å; R22-L29 HydrophobicContact CB-CD2 4.35Å; L29-Y82 HydrophobicContact CB-CD1 3.99Å; L29-Y82 HydrophobicContact CB-CG 4.2Å; L29-Y82 HydrophobicContact CD1-CD1 4.08Å; L29-Y82 HydrophobicContact CD1-CE1 4.47Å; L29-Y82 WeakPolarHBondContact O-CB 3.47Å; L29-Y82 PolarHBondContact O-N 3.15Å
30V97.7Very high89Confident2 Ų260.4 Ų60.41%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-133.1149-178.6-60.30000111.7F4 C21 E28 I32 K67 V79 F80F4-V30 HydrophobicContact CD1-CG2 3.75Å; F4-V30 HydrophobicContact CE1-CG2 3.61Å; C21-V30 HydrophobicContact CB-CG2 3.85Å; C21-V30 PolarHBondContact N-O 3.32Å; C21-V30 PolarHBondContact O-N 2.91Å; E28-V30 HydrophobicContact CG-CG1 4.24Å; V30-I32 HydrophobicContact CG2-CD1 4.15Å; V30-I32 HydrophobicContact CG2-CG1 3.96Å; V30-K67 HydrophobicContact CG1-CD 4.3Å; V30-V79 HydrophobicContact CB-CG1 3.76Å; V30-V79 HydrophobicContact CG1-CG1 4.02Å; V30-V79 HydrophobicContact CG2-CG1 3.89Å; V30-F80 VanDerWaalsContact CA-O 3.29Å; V30-F80 WeakPolarHBondContact CA-O 3.47Å; V30-F80 VanDerWaalsContact CB-O 3.25Å; V30-F80 WeakPolarHBondContact CB-O 3.32Å
31A97.6Very high87.8Confident14 Ų1461.4 Ų61.412%0.11630%0.303CS..EExtended strand (participates in β ladder)trans-98.812017100000109.4V18 F80 Y82V18-A31 HydrophobicContact CG1-CB 4.15Å; A31-F80 HydrophobicContact CB-CB 4.37Å; A31-F80 PolarHBondContact N-O 2.87Å; A31-F80 PolarHBondContact O-N 3.37Å; A31-Y82 HydrophobicContact CB-CD2 4.49Å
32I96.1Very high86.9Confident0 Ų067.8 Ų67.80%033%0.332CS..EExtended strand (participates in β ladder)trans-108104.3-178.8-51.7-169.6000110.2M1 F4 V18 L19 C21 V30 K34 Y77 L78 V79M1-I32 HydrophobicContact SD-CD1 4.1Å; M1-I32 HydrophobicContact SD-CG2 4.47Å; F4-I32 HydrophobicContact CB-CD1 4.05Å; F4-I32 HydrophobicContact CD1-CD1 3.93Å; F4-I32 HydrophobicContact CD2-CD1 3.82Å; F4-I32 HydrophobicContact CE1-CD1 4.34Å; F4-I32 HydrophobicContact CE2-CD1 4.26Å; F4-I32 HydrophobicContact CG-CD1 3.66Å; F4-I32 HydrophobicContact CZ-CD1 4.5Å; V18-I32 WeakPolarHBondContact CA-O 3.07Å; L19-I32 HydrophobicContact CB-CB 4.49Å; L19-I32 PolarHBondContact N-O 3.37Å; L19-I32 PolarHBondContact O-N 3.23Å; C21-I32 HydrophobicContact CB-CD1 3.82Å; C21-I32 HydrophobicContact CB-CG1 4.09Å; C21-I32 VanDerWaalsContact SG-CD1 3.59Å; V30-I32 HydrophobicContact CG2-CD1 4.15Å; V30-I32 HydrophobicContact CG2-CG1 3.96Å; I32-K34 PolarHBondContact O-N 2.79Å; I32-Y77 HydrophobicContact CG2-CD1 3.96Å; I32-Y77 HydrophobicContact CG2-CG 4.49Å; I32-L78 CarbonylContact C-O 3.58Å; I32-L78 VanDerWaalsContact CA-O 3.31Å; I32-L78 WeakPolarHBondContact CA-O 3.43Å; I32-V79 HydrophobicContact CD1-CG2 4.13Å; I32-V79 HydrophobicContact CG1-CG1 4.31Å; I32-V79 HydrophobicContact CG1-CG2 4.1Å; I32-V79 HydrophobicContact CG2-CG2 4.33Å
33K93.3Very high85.7Confident20 Ų2070.7 Ų70.79%0.08735%0.349CS..EExtended strand (participates in β ladder)trans-76.9102.8172.1-175.8175172.6-175.10108.3V18 F35 E51 Y77 L78 F80 D144V18-K33 HydrophobicContact CG2-CB 4.36Å; V18-K33 HydrophobicContact CG2-CG 4.38Å; K33-F35 HydrophobicContact CD-CE2 4.3Å; K33-F35 HydrophobicContact CD-CZ 4.15Å; K33-F35 HydrophobicContact CG-CE2 4.07Å; K33-F35 HydrophobicContact CG-CZ 4.33Å; K33-E51 IonicContact NZ-OE1 3.63Å; K33-E51 PolarHBondContact NZ-OE1 3.06Å; K33-E51 IonicContact NZ-OE2 2.9Å; K33-E51 PolarHBondContact NZ-OE2 3.16Å; K33-Y77 WeakPolarHBondContact O-CA 3.36Å; K33-L78 HydrophobicContact CB-CB 4.39Å; K33-L78 PolarHBondContact N-O 2.72Å; K33-L78 PolarHBondContact O-N 3.07Å; K33-F80 HydrophobicContact CB-CD2 4.49Å; K33-F80 HydrophobicContact CB-CE2 3.94Å; K33-F80 HydrophobicContact CD-CE2 4.38Å; K33-D144 IonicContact NZ-OD1 2.83Å; K33-D144 PolarHBondContact NZ-OD1 2.98Å
34K91.6Very high84.6Confident71 Ų7171.2 Ų71.231%0.30935%0.354SS..EExtended strand (participates in β ladder)trans-97.6118.1176.9170.6-167.9170-158.40108.7G16 V17 I32 Y77G16-K34 CarbonylContact C-O 3.56Å; G16-K34 WeakPolarHBondContact CA-O 3.44Å; V17-K34 HydrophobicContact CG1-CB 4.08Å; V17-K34 HydrophobicContact CG1-CD 3.86Å; V17-K34 HydrophobicContact CG1-CG 4.3Å; V17-K34 PolarHBondContact N-O 2.72Å; V17-K34 PolarHBondContact O-N 2.92Å; I32-K34 PolarHBondContact O-N 2.79Å; K34-Y77 HydrophobicContact CB-CD1 3.91Å; K34-Y77 HydrophobicContact CB-CE1 3.93Å; K34-Y77 HydrophobicContact CD-CE1 3.8Å; K34-Y77 HydrophobicContact CG-CD1 4.02Å; K34-Y77 HydrophobicContact CG-CE1 3.57Å
35F86.4Confident83.7Confident11 Ų1169.1 Ų69.15%0.04835%0.345CS..EExtended strand (participates in β ladder)trans-72.1145179.1-71-100.3000111.3Y15 K33 T48 L76 L78Y15-F35 WeakPolarHBondContact O-CA 3.46Å; K33-F35 HydrophobicContact CD-CE2 4.3Å; K33-F35 HydrophobicContact CD-CZ 4.15Å; K33-F35 HydrophobicContact CG-CE2 4.07Å; K33-F35 HydrophobicContact CG-CZ 4.33Å; F35-T48 HydrophobicContact CD2-CG2 4.46Å; F35-T48 HydrophobicContact CE1-CG2 3.97Å; F35-T48 WeakPolarHBondContact CE1-OG1 3.42Å; F35-T48 HydrophobicContact CE2-CG2 3.9Å; F35-T48 HydrophobicContact CZ-CG2 3.62Å; F35-L76 HydrophobicContact CD2-CB 4.33Å; F35-L76 PolarHBondContact N-O 3.42Å; F35-L78 HydrophobicContact CE2-CD1 3.86Å; F35-L78 HydrophobicContact CE2-CG 4.03Å; F35-L78 HydrophobicContact CZ-CD1 4.16Å
36K79.6Confident83Confident75 Ų7568.1 Ų68.133%0.32634%0.34SS..SBendtrans-73.9-48.5-177.9-95.5166.3179.4179.30111.5E12 G13 Y15 K75E12-K36 WeakPolarHBondContact OE1-CE 3.17Å; E12-K36 IonicContact OE1-NZ 3.54Å; E12-K36 PolarHBondContact OE1-NZ 2.75Å; G13-K36 PolarHBondContact O-NZ 2.94Å; Y15-K36 PolarHBondContact O-N 3.49Å; K36-K75 PolarHBondContact O-NZ 3.27Å
37D68.6Low82.2Confident94 Ų9465.4 Ų65.450%0.50332%0.324SS..SBendtrans-88.7175.1-173.3-54.6-46.4000112.8
38S62Low81.6Confident40 Ų4060.4 Ų60.428%0.2830%0.297SS..  trans-83.3149.7162.942.20000110E40S38-E40 WeakPolarHBondContact CB-OE2 3.12Å; S38-E40 PolarHBondContact O-N 2.86Å; S38-E40 PolarHBondContact OG-OE2 2.83Å
39E60.8Low80.9Confident29 Ų2960.4 Ų60.414%0.13630%0.299CS..THydrogen-bonded Turntrans-70.422.3170.4-68.3171.510100112.8K45 R71E39-K45 HydrophobicContact CB-CB 3.98Å; E39-K45 HydrophobicContact CB-CD 4.46Å; E39-K45 HydrophobicContact CB-CG 4.22Å; E39-K45 HydrophobicContact CG-CB 4.38Å; E39-K45 VanDerWaalsContact O-CD 3.32Å; E39-K45 WeakPolarHBondContact O-CD 3.48Å; E39-R71 IonicContact OE1-CZ 2.85Å; E39-R71 IonicContact OE1-NE 3.73Å; E39-R71 IonicContact OE1-NH2 2.68Å; E39-R71 PolarHBondContact OE1-NH2 2.75Å; E39-R71 IonicContact OE2-CZ 2.83Å; E39-R71 VanDerWaalsContact OE2-CZ 3.25Å; E39-R71 IonicContact OE2-NE 3.48Å; E39-R71 PolarHBondContact OE2-NE 3.35Å; E39-R71 IonicContact OE2-NH2 3.87Å; E39-R71 PolarHBondContact OE2-NH2 3.44Å
40E63.1Low80.4Confident166 Ų16659 Ų5978%0.77629%0.289SS*.THydrogen-bonded Turntrans-77.6-25.4171.4-67.6166.2140.100110.9S38 E42S38-E40 WeakPolarHBondContact CB-OE2 3.12Å; S38-E40 PolarHBondContact O-N 2.86Å; S38-E40 PolarHBondContact OG-OE2 2.83Å; E40-E42 PolarHBondContact O-N 3.18Å
41N72.9Confident79.9Confident77 Ų7759.2 Ų59.241%0.41229%0.29SS..SBendtrans-75.8115.1161.5-177.6-14.1000109.2E43 V44 K45N41-E43 VanDerWaalsContact C-N 3.31Å; N41-E43 PolarHBondContact O-N 3.22Å; N41-E43 WeakPolarHBondContact OD1-CB 3.23Å; N41-E43 PolarHBondContact OD1-N 3.27Å; N41-V44 HydrophobicContact CB-CB 4.28Å; N41-V44 HydrophobicContact CB-CG2 4.08Å; N41-V44 PolarHBondContact O-N 3.07Å; N41-K45 WeakPolarHBondContact O-CB 3.19Å; N41-K45 PolarHBondContact O-N 2.9Å
42E77.3Confident79.5Confident133 Ų13359.5 Ų59.562%0.62129%0.289SS*.Hα-helixtrans-64.3-31.3-178.1-60.5-139105.200113.4E40 K45 E46E40-E42 PolarHBondContact O-N 3.18Å; E42-K45 PolarHBondContact O-N 2.91Å; E42-K45 IonicContact OE1-NZ 3.72Å; E42-K45 PolarHBondContact OE1-NZ 3.11Å; E42-E46 VanDerWaalsContact O-CB 3.3Å; E42-E46 WeakPolarHBondContact O-CB 3.49Å; E42-E46 PolarHBondContact O-N 3.45Å
43E73.3Confident79.2Confident145 Ų14564.9 Ų64.968%0.67831%0.313SS*.Hα-helixtrans-66.5-42.3178-58.2-178.3159.900111.7N41 T47N41-E43 VanDerWaalsContact C-N 3.31Å; N41-E43 PolarHBondContact O-N 3.22Å; N41-E43 WeakPolarHBondContact OD1-CB 3.23Å; N41-E43 PolarHBondContact OD1-N 3.27Å; E43-T47 VanDerWaalsContact O-CB 3.26Å; E43-T47 WeakPolarHBondContact O-CB 3.42Å; E43-T47 PolarHBondContact O-N 2.84Å; E43-T47 PolarHBondContact O-OG1 3.1Å
44V74.6Confident79.1Confident32 Ų3264.1 Ų64.119%0.19431%0.309CS..Hα-helixtrans-66.9-45176.9176.20000109.8N41 T47 T48N41-V44 HydrophobicContact CB-CB 4.28Å; N41-V44 HydrophobicContact CB-CG2 4.08Å; N41-V44 PolarHBondContact O-N 3.07Å; V44-T47 PolarHBondContact O-N 2.93Å; V44-T48 VanDerWaalsContact O-CB 3.24Å; V44-T48 WeakPolarHBondContact O-CB 3.31Å; V44-T48 PolarHBondContact O-N 3.01Å; V44-T48 PolarHBondContact O-OG1 2.86Å
45K79Confident79Confident73 Ų7361 Ų6132%0.31730%0.296SS..Hα-helixtrans-60-47.2175.9174.2-178.1159.5-157.90111.9E39 N41 E42 T48 L49E39-K45 HydrophobicContact CB-CB 3.98Å; E39-K45 HydrophobicContact CB-CD 4.46Å; E39-K45 HydrophobicContact CB-CG 4.22Å; E39-K45 HydrophobicContact CG-CB 4.38Å; E39-K45 VanDerWaalsContact O-CD 3.32Å; E39-K45 WeakPolarHBondContact O-CD 3.48Å; N41-K45 WeakPolarHBondContact O-CB 3.19Å; N41-K45 PolarHBondContact O-N 2.9Å; E42-K45 PolarHBondContact O-N 2.91Å; E42-K45 IonicContact OE1-NZ 3.72Å; E42-K45 PolarHBondContact OE1-NZ 3.11Å; K45-T48 PolarHBondContact O-N 2.98Å; K45-L49 HydrophobicContact CG-CD1 4.05Å; K45-L49 WeakPolarHBondContact O-CB 3.12Å; K45-L49 VanDerWaalsContact O-CG 3.22Å; K45-L49 WeakPolarHBondContact O-CG 3.34Å; K45-L49 PolarHBondContact O-N 3Å
46E81.1Confident79.1Confident103 Ų10368.3 Ų68.348%0.48132%0.324SS..Hα-helixtrans-65.1-46.9178.5-163.5-143.810900111.3E42 T48 L49 R50E42-E46 VanDerWaalsContact O-CB 3.3Å; E42-E46 WeakPolarHBondContact O-CB 3.49Å; E42-E46 PolarHBondContact O-N 3.45Å; E46-T48 VanDerWaalsContact C-N 3.3Å; E46-T48 PolarHBondContact O-N 2.89Å; E46-L49 PolarHBondContact O-N 2.6Å; E46-R50 VanDerWaalsContact O-CB 3.28Å; E46-R50 WeakPolarHBondContact O-CB 3.37Å; E46-R50 PolarHBondContact O-N 3Å; E46-R50 IonicContact OE1-CZ 2.6Å; E46-R50 IonicContact OE1-NE 2.68Å; E46-R50 IonicContact OE1-NH2 2.76Å; E46-R50 PolarHBondContact OE1-NH2 3.19Å
47T80.8Confident79.6Confident28 Ų2868.2 Ų68.217%0.17233%0.329CS..Hα-helixtrans-57.7-43.5175.8-60.20000111.5E43 V44 R50 E51 G146E43-T47 VanDerWaalsContact O-CB 3.26Å; E43-T47 WeakPolarHBondContact O-CB 3.42Å; E43-T47 PolarHBondContact O-N 2.84Å; E43-T47 PolarHBondContact O-OG1 3.1Å; V44-T47 PolarHBondContact O-N 2.93Å; T47-R50 WeakPolarHBondContact O-CB 3.42Å; T47-R50 PolarHBondContact O-N 2.9Å; T47-E51 PolarHBondContact O-N 3Å; T47-G146 WeakPolarHBondContact CG2-O 3.42Å
48T82.8Confident80.7Confident4 Ų463.9 Ų63.93%0.02531%0.306CS..Hα-helixtrans-72.9-36.8-178.8-53.70000112.3F35 V44 K45 E46 R50 E51 L52 L76F35-T48 HydrophobicContact CD2-CG2 4.46Å; F35-T48 HydrophobicContact CE1-CG2 3.97Å; F35-T48 WeakPolarHBondContact CE1-OG1 3.42Å; F35-T48 HydrophobicContact CE2-CG2 3.9Å; F35-T48 HydrophobicContact CZ-CG2 3.62Å; V44-T48 VanDerWaalsContact O-CB 3.24Å; V44-T48 WeakPolarHBondContact O-CB 3.31Å; V44-T48 PolarHBondContact O-N 3.01Å; V44-T48 PolarHBondContact O-OG1 2.86Å; K45-T48 PolarHBondContact O-N 2.98Å; E46-T48 VanDerWaalsContact C-N 3.3Å; E46-T48 PolarHBondContact O-N 2.89Å; T48-R50 VanDerWaalsContact C-N 3.33Å; T48-E51 PolarHBondContact O-N 2.85Å; T48-L52 VanDerWaalsContact O-CB 3.31Å; T48-L52 WeakPolarHBondContact O-CB 3.14Å; T48-L52 PolarHBondContact O-N 3.46Å; T48-L76 HydrophobicContact CG2-CD2 3.3Å
49L83.7Confident82.1Confident81 Ų8168.5 Ų68.542%0.42432%0.321SS..Hα-helixtrans-67.6-33.9172.1-72.8171000111.9K45 E46 K53K45-L49 HydrophobicContact CG-CD1 4.05Å; K45-L49 WeakPolarHBondContact O-CB 3.12Å; K45-L49 VanDerWaalsContact O-CG 3.22Å; K45-L49 WeakPolarHBondContact O-CG 3.34Å; K45-L49 PolarHBondContact O-N 3Å; E46-L49 PolarHBondContact O-N 2.6Å; L49-K53 VanDerWaalsContact O-CB 3.31Å; L49-K53 WeakPolarHBondContact O-CB 3.4Å; L49-K53 PolarHBondContact O-N 2.95Å
50R86.8Confident83.7Confident42 Ų4269.3 Ų69.316%0.15833%0.325CS..Hα-helixtrans-66.7-46.7173.6-169.7-170.9-63.5-108.616.5111.3E46 T47 T48 L52 K53 M54 E153E46-R50 VanDerWaalsContact O-CB 3.28Å; E46-R50 WeakPolarHBondContact O-CB 3.37Å; E46-R50 PolarHBondContact O-N 3Å; E46-R50 IonicContact OE1-CZ 2.6Å; E46-R50 IonicContact OE1-NE 2.68Å; E46-R50 IonicContact OE1-NH2 2.76Å; E46-R50 PolarHBondContact OE1-NH2 3.19Å; T47-R50 WeakPolarHBondContact O-CB 3.42Å; T47-R50 PolarHBondContact O-N 2.9Å; T48-R50 VanDerWaalsContact C-N 3.33Å; R50-L52 PolarHBondContact O-N 3.06Å; R50-K53 WeakPolarHBondContact O-CB 3.29Å; R50-K53 PolarHBondContact O-N 3.2Å; R50-M54 HydrophobicContact CG-CE 3.7Å; R50-M54 HydrophobicContact CG-SD 4.24Å; R50-M54 WeakPolarHBondContact O-CG 3.25Å; R50-M54 PolarHBondContact O-N 3.13Å; R50-E153 IonicContact NH1-OE2 2.69Å; R50-E153 PolarHBondContact NH1-OE2 2.9Å
51E87.8Confident85.2Confident5 Ų567.1 Ų67.12%0.02332%0.319CS..Hα-helixtrans-56.3-49.5172.7-170-173.6155.500110.9K33 T47 T48 K53 M54 L55 F145K33-E51 IonicContact NZ-OE1 3.63Å; K33-E51 PolarHBondContact NZ-OE1 3.06Å; K33-E51 IonicContact NZ-OE2 2.9Å; K33-E51 PolarHBondContact NZ-OE2 3.16Å; T47-E51 PolarHBondContact O-N 3Å; T48-E51 PolarHBondContact O-N 2.85Å; E51-K53 PolarHBondContact O-N 3.11Å; E51-M54 PolarHBondContact O-N 2.78Å; E51-L55 HydrophobicContact CG-CD1 3.87Å; E51-L55 WeakPolarHBondContact O-CB 3.25Å; E51-L55 WeakPolarHBondContact O-CG 3.4Å; E51-L55 PolarHBondContact O-N 3.35Å; E51-F145 HydrophobicContact CG-CB 4.08Å
52L88.8Confident86.4Confident20 Ų2063.8 Ų63.811%0.10530%0.301CS..Hα-helixtrans-61.8-37.3177.6179.160.8000113.3T48 R50 R56 L66 A69 L78T48-L52 VanDerWaalsContact O-CB 3.31Å; T48-L52 WeakPolarHBondContact O-CB 3.14Å; T48-L52 PolarHBondContact O-N 3.46Å; R50-L52 PolarHBondContact O-N 3.06Å; L52-R56 WeakPolarHBondContact O-CD 3.44Å; L52-R56 VanDerWaalsContact O-CG 3.25Å; L52-R56 WeakPolarHBondContact O-CG 3.42Å; L52-R56 PolarHBondContact O-N 2.8Å; L52-L66 HydrophobicContact CD1-CD2 3.46Å; L52-L66 VanDerWaalsContact CD1-CD2 3.46Å; L52-A69 HydrophobicContact CD1-CB 4.02Å; L52-L78 HydrophobicContact CD1-CD2 4.17Å
53K89.8Confident87.3Confident113 Ų11357.7 Ų57.749%0.49127%0.272SS..Hα-helixtrans-63.6-48.7174.7179.2-174.3176.5-174.90110.6L49 R50 E51 R56 T57 E153L49-K53 VanDerWaalsContact O-CB 3.31Å; L49-K53 WeakPolarHBondContact O-CB 3.4Å; L49-K53 PolarHBondContact O-N 2.95Å; R50-K53 WeakPolarHBondContact O-CB 3.29Å; R50-K53 PolarHBondContact O-N 3.2Å; E51-K53 PolarHBondContact O-N 3.11Å; K53-R56 PolarHBondContact O-N 3.08Å; K53-T57 PolarHBondContact O-N 3.01Å; K53-T57 PolarHBondContact O-OG1 2.88Å; K53-E153 IonicContact NZ-OE1 2.78Å; K53-E153 PolarHBondContact NZ-OE1 2.9Å
54M90.5Very high88.4Confident4 Ų451.1 Ų51.12%0.0224%0.242CC..Hα-helixtrans-67.5-45.2-177.2-68.8173.3178.100112.3R50 E51 R56 T57 L58 I122 A148 N150R50-M54 HydrophobicContact CG-CE 3.7Å; R50-M54 HydrophobicContact CG-SD 4.24Å; R50-M54 WeakPolarHBondContact O-CG 3.25Å; R50-M54 PolarHBondContact O-N 3.13Å; E51-M54 PolarHBondContact O-N 2.78Å; M54-R56 PolarHBondContact O-N 3.31Å; M54-T57 PolarHBondContact O-N 3.44Å; M54-L58 WeakPolarHBondContact O-CB 3.1Å; M54-L58 WeakPolarHBondContact O-CG 3.33Å; M54-L58 PolarHBondContact O-N 3.28Å; M54-I122 HydrophobicContact CB-CD1 4.06Å; M54-I122 HydrophobicContact CE-CG1 4.43Å; M54-I122 HydrophobicContact CG-CD1 3.8Å; M54-I122 HydrophobicContact CG-CG1 4.21Å; M54-I122 HydrophobicContact SD-CG1 4.48Å; M54-I122 HydrophobicContact SD-CG2 4.02Å; M54-A148 HydrophobicContact SD-CB 3.59Å; M54-A148 VanDerWaalsContact SD-CB 3.59Å; M54-N150 HydrophobicContact CE-CB 4.16Å
55L89.8Confident89.4Confident7 Ų753.2 Ų53.24%0.03725%0.25CC..Hα-helixtrans-60.7-29.7177-73.5167.5000113.5E51 V64 L66 F80 F145E51-L55 HydrophobicContact CG-CD1 3.87Å; E51-L55 WeakPolarHBondContact O-CB 3.25Å; E51-L55 WeakPolarHBondContact O-CG 3.4Å; E51-L55 PolarHBondContact O-N 3.35Å; L55-V64 HydrophobicContact CD2-CG1 4.37Å; L55-L66 HydrophobicContact CB-CB 4.09Å; L55-L66 HydrophobicContact CB-CD2 4Å; L55-L66 HydrophobicContact CD1-CB 4.43Å; L55-L66 HydrophobicContact CD1-CD2 4.3Å; L55-F80 HydrophobicContact CD1-CE1 3.56Å; L55-F80 HydrophobicContact CD1-CZ 3.66Å; L55-F80 HydrophobicContact CD2-CE1 3.96Å; L55-F80 HydrophobicContact CG-CE1 4.39Å; L55-F145 HydrophobicContact CD2-CD2 3.68Å; L55-F145 HydrophobicContact CD2-CE2 4.16Å; L55-F145 HydrophobicContact CD2-CG 4.45Å; L55-F145 HydrophobicContact CG-CD2 4.38Å
56R89.1Confident90.2Very high164 Ų16450.6 Ų50.662%0.61924%0.239SC*.Hα-helixtrans-73.8-28.8175.4-76.2172.4173.7-172.6-2.8113.2L52 K53 M54L52-R56 WeakPolarHBondContact O-CD 3.44Å; L52-R56 VanDerWaalsContact O-CG 3.25Å; L52-R56 WeakPolarHBondContact O-CG 3.42Å; L52-R56 PolarHBondContact O-N 2.8Å; K53-R56 PolarHBondContact O-N 3.08Å; M54-R56 PolarHBondContact O-N 3.31Å
57T88.7Confident90.8Very high72 Ų7249.3 Ų49.344%0.44223%0.232SC..Hα-helixtrans-81.3-41.1174.6-600000111.7K53 M54 K59 N120K53-T57 PolarHBondContact O-N 3.01Å; K53-T57 PolarHBondContact O-OG1 2.88Å; M54-T57 PolarHBondContact O-N 3.44Å; T57-K59 VanDerWaalsContact C-N 3.3Å; T57-K59 PolarHBondContact O-N 3Å; T57-N120 HydrophobicContact CG2-CB 4.35Å; T57-N120 WeakPolarHBondContact CG2-OD1 3.36Å
58L91.9Very high91.4Very high3 Ų351.6 Ų51.62%0.01624%0.241CC..  trans-85.555.5-168.3-65.8175.5000114.3M54 Q60 I63 N120 I122 F145M54-L58 WeakPolarHBondContact O-CB 3.1Å; M54-L58 WeakPolarHBondContact O-CG 3.33Å; M54-L58 PolarHBondContact O-N 3.28Å; L58-Q60 PolarHBondContact O-N 2.98Å; L58-I63 HydrophobicContact CB-CG2 4.28Å; L58-I63 WeakPolarHBondContact O-CB 3.33Å; L58-I63 WeakPolarHBondContact O-CG2 3.4Å; L58-N120 HydrophobicContact CD2-CB 3.89Å; L58-I122 HydrophobicContact CD1-CB 4.48Å; L58-I122 HydrophobicContact CD1-CD1 3.81Å; L58-I122 HydrophobicContact CD1-CG2 4.17Å; L58-I122 HydrophobicContact CD2-CD1 4.06Å; L58-I122 HydrophobicContact CG-CD1 3.89Å; L58-F145 HydrophobicContact CD1-CD1 3.81Å; L58-F145 HydrophobicContact CD1-CE1 3.23Å; L58-F145 HydrophobicContact CD1-CZ 3.75Å
59K91.7Very high91.8Very high138 Ų13853.1 Ų53.160%0.625%0.254SS*.  trans-81.6103.7172.1-68.4-161.3169.6-134.70111.8T57 E65T57-K59 VanDerWaalsContact C-N 3.3Å; T57-K59 PolarHBondContact O-N 3Å; K59-E65 IonicContact NZ-OE1 3.01Å
60Q94Very high92.2Very high45 Ų4551 Ų5121%0.2124%0.241CC..SBendtrans-158.3151.5170.8-174.4-87.9-38.500109.9L58 N62 I63 W116L58-Q60 PolarHBondContact O-N 2.98Å; Q60-N62 VanDerWaalsContact CD-N 3.32Å; Q60-N62 PolarHBondContact NE2-OD1 3.05Å; Q60-N62 PolarHBondContact O-N 3.01Å; Q60-N62 VanDerWaalsContact O-N 3.09Å; Q60-I63 HydrophobicContact CB-CG1 4.26Å; Q60-I63 WeakPolarHBondContact O-CB 3.42Å; Q60-I63 PolarHBondContact O-N 3.13Å; Q60-W116 VanDerWaalsContact CB-CD1 3.5Å; Q60-W116 HydrophobicContact CB-CD2 4.07Å; Q60-W116 HydrophobicContact CB-CG 3.8Å; Q60-W116 HydrophobicContact CG-CD2 4.43Å; Q60-W116 HydrophobicContact CG-CG 4.2Å
61D94.3Very high92.2Very high121 Ų12156.1 Ų56.165%0.64726%0.261SS*.THydrogen-bonded Turntrans-52.1-34.7-171.8-40.8-29.5000115.2I63 K141D61-I63 VanDerWaalsContact C-N 3.33Å; D61-K141 WeakPolarHBondContact O-CE 3.41Å; D61-K141 VanDerWaalsContact O-CG 3.3Å; D61-K141 WeakPolarHBondContact O-CG 3.41Å; D61-K141 PolarHBondContact O-NZ 2.97Å
62N97.7Very high92.2Very high7 Ų761.2 Ų61.24%0.03728%0.28CS..THydrogen-bonded Turntrans-92.414179.5-55110.1000113.5Q60 Q109 A113 L140 K141 L142Q60-N62 VanDerWaalsContact CD-N 3.32Å; Q60-N62 PolarHBondContact NE2-OD1 3.05Å; Q60-N62 PolarHBondContact O-N 3.01Å; Q60-N62 VanDerWaalsContact O-N 3.09Å; N62-Q109 PolarHBondContact ND2-OE1 2.96Å; N62-A113 HydrophobicContact CB-CB 3.81Å; N62-A113 WeakPolarHBondContact O-CB 3.47Å; N62-L140 VanDerWaalsContact CA-O 3.29Å; N62-L140 WeakPolarHBondContact CA-O 3.38Å; N62-L140 WeakPolarHBondContact CB-O 3.21Å; N62-L140 PolarHBondContact ND2-O 2.93Å; N62-K141 CarbonylContact O-C 3.56Å; N62-K141 WeakPolarHBondContact O-CA 3.46Å; N62-L142 PolarHBondContact O-N 3.29Å
63I97.5Very high92.1Very high4 Ų471.5 Ų71.52%0.02132%0.317CS..BIsolated β-bridgetrans-112.3149.6166.2-47.6-62.5000107.9L58 Q60 D61 E65 A113 K141 L142 F145L58-I63 HydrophobicContact CB-CG2 4.28Å; L58-I63 WeakPolarHBondContact O-CB 3.33Å; L58-I63 WeakPolarHBondContact O-CG2 3.4Å; Q60-I63 HydrophobicContact CB-CG1 4.26Å; Q60-I63 WeakPolarHBondContact O-CB 3.42Å; Q60-I63 PolarHBondContact O-N 3.13Å; D61-I63 VanDerWaalsContact C-N 3.33Å; I63-E65 PolarHBondContact O-N 2.95Å; I63-A113 HydrophobicContact CD1-CB 3.93Å; I63-K141 PolarHBondContact O-NZ 2.94Å; I63-L142 HydrophobicContact CD1-CB 4.29Å; I63-L142 HydrophobicContact CD1-CD2 4.46Å; I63-F145 HydrophobicContact CD1-CZ 4.32Å; I63-F145 HydrophobicContact CG2-CE2 3.83Å; I63-F145 HydrophobicContact CG2-CZ 3.96Å
64V96.6Very high91.8Very high8 Ų868.6 Ų68.65%0.04832%0.319CS..  trans-70.1126.2173.170.80000111.4L55 L66 F80 E81 L133 L142 C143L55-V64 HydrophobicContact CD2-CG1 4.37Å; V64-L66 PolarHBondContact O-N 3.28Å; V64-F80 HydrophobicContact CG1-CD1 3.84Å; V64-F80 HydrophobicContact CG1-CE1 4Å; V64-F80 HydrophobicContact CG2-CB 4.03Å; V64-F80 HydrophobicContact CG2-CD1 3.96Å; V64-F80 HydrophobicContact CG2-CG 4.34Å; V64-E81 WeakPolarHBondContact CA-OE1 3.46Å; V64-E81 HydrophobicContact CG2-CG 3.75Å; V64-L133 HydrophobicContact CB-CD1 4.46Å; V64-L133 HydrophobicContact CG2-CD1 4.14Å; V64-L142 PolarHBondContact N-O 3.09Å; V64-C143 HydrophobicContact CB-CB 4.06Å; V64-C143 HydrophobicContact CG1-CB 3.55Å
65E95.3Very high91.5Very high75 Ų7572 Ų7235%0.3533%0.334SS..  trans-71.1121.4175.7-177.7178.9-131.900110.8K59 I63 K67 F80 E81K59-E65 IonicContact NZ-OE1 3.01Å; I63-E65 PolarHBondContact O-N 2.95Å; E65-K67 HydrophobicContact CG-CG 4.12Å; E65-K67 WeakPolarHBondContact OE2-CG 3.5Å; E65-K67 IonicContact OE2-NZ 3.72Å; E65-K67 PolarHBondContact OE2-NZ 3.35Å; E65-F80 CarbonylContact O-C 3.58Å; E65-F80 WeakPolarHBondContact O-CA 3.37Å; E65-E81 HydrophobicContact CB-CG 4.37Å; E65-E81 PolarHBondContact N-OE1 3.02Å; E65-E81 PolarHBondContact O-N 2.95Å
66L95.3Very high91.4Very high19 Ų1972.3 Ų72.310%0.09934%0.335CS..EExtended strand (participates in β ladder)trans-81.6111.8159.8-179.774.7000109.8L52 L55 V64 L78 F80L52-L66 HydrophobicContact CD1-CD2 3.46Å; L52-L66 VanDerWaalsContact CD1-CD2 3.46Å; L55-L66 HydrophobicContact CB-CB 4.09Å; L55-L66 HydrophobicContact CB-CD2 4Å; L55-L66 HydrophobicContact CD1-CB 4.43Å; L55-L66 HydrophobicContact CD1-CD2 4.3Å; V64-L66 PolarHBondContact O-N 3.28Å; L66-L78 HydrophobicContact CD1-CB 3.84Å; L66-L78 HydrophobicContact CD1-CD2 4.18Å; L66-L78 HydrophobicContact CD1-CG 4.47Å; L66-F80 HydrophobicContact CB-CD1 4.16Å; L66-F80 HydrophobicContact CB-CE1 4.07Å; L66-F80 HydrophobicContact CD1-CD1 4.13Å; L66-F80 HydrophobicContact CD1-CE1 3.85Å; L66-F80 HydrophobicContact CD1-CE2 4.29Å; L66-F80 HydrophobicContact CD1-CG 4.48Å; L66-F80 HydrophobicContact CD1-CZ 3.94Å
67K93.9Very high91.6Very high76 Ų7665.5 Ų65.533%0.3331%0.31SS..EExtended strand (participates in β ladder)trans-84.3-51.9-178.4-65.8178.3-175.5-74.60112.3E28 V30 E65 V79E28-K67 WeakPolarHBondContact OE1-CE 2.98Å; E28-K67 IonicContact OE1-NZ 3.7Å; E28-K67 PolarHBondContact OE1-NZ 3.37Å; V30-K67 HydrophobicContact CG1-CD 4.3Å; E65-K67 HydrophobicContact CG-CG 4.12Å; E65-K67 WeakPolarHBondContact OE2-CG 3.5Å; E65-K67 IonicContact OE2-NZ 3.72Å; E65-K67 PolarHBondContact OE2-NZ 3.35Å; K67-V79 PolarHBondContact N-O 3.02Å
68E92.7Very high91.8Very high75 Ų7562.1 Ų62.135%0.3529%0.289SS..EExtended strand (participates in β ladder)trans-145.3165.8175.170.3162.2122.600112.8F4 F70 V79F4-E68 WeakPolarHBondContact CE2-OE1 3.49Å; F4-E68 VanDerWaalsContact CZ-OE1 3.25Å; F4-E68 WeakPolarHBondContact CZ-OE1 3.37Å; E68-F70 HydrophobicContact CG-CD1 4.42Å; E68-F70 VanDerWaalsContact OE2-CD1 3.3Å; E68-F70 WeakPolarHBondContact OE2-CD1 3.29Å; E68-V79 HydrophobicContact CG-CB 3.6Å; E68-V79 HydrophobicContact CG-CG1 4.21Å; E68-V79 HydrophobicContact CG-CG2 3.55Å; E68-V79 PolarHBondContact N-O 3.02Å; E68-V79 PolarHBondContact O-N 2.84Å
69A92.1Very high91.9Very high36 Ų3662 Ų6230%0.29829%0.289SS..EExtended strand (participates in β ladder)trans-140.6123.5174.300000109.4L52 Y77 L78L52-A69 HydrophobicContact CD1-CB 4.02Å; A69-Y77 WeakPolarHBondContact CA-O 3.28Å; A69-L78 HydrophobicContact CB-CD2 3.56Å
70F91.6Very high92.2Very high36 Ų3656.2 Ų56.216%0.15826%0.263CS..EExtended strand (participates in β ladder)trans-136.4155.1-177.768-97.1000112.5M1 F4 E68 R72 Y77 V79M1-F70 HydrophobicContact CG-CE2 3.9Å; M1-F70 HydrophobicContact CG-CZ 3.87Å; M1-F70 HydrophobicContact SD-CE2 4.3Å; M1-F70 HydrophobicContact SD-CZ 3.68Å; F4-F70 HydrophobicContact CD2-CE1 4.28Å; F4-F70 AromaticContact CE2-CE1 3.9Å; F4-F70 HydrophobicContact CE2-CE1 3.9Å; E68-F70 HydrophobicContact CG-CD1 4.42Å; E68-F70 VanDerWaalsContact OE2-CD1 3.3Å; E68-F70 WeakPolarHBondContact OE2-CD1 3.29Å; F70-R72 HydrophobicContact CE2-CB 4.49Å; F70-Y77 AromaticContact CD2-CD2 3.94Å; F70-Y77 HydrophobicContact CD2-CD2 3.94Å; F70-Y77 HydrophobicContact CD2-CG 4.09Å; F70-Y77 VanDerWaalsContact CE2-CB 3.44Å; F70-Y77 AromaticContact CE2-CD1 3.95Å; F70-Y77 HydrophobicContact CE2-CD1 3.95Å; F70-Y77 AromaticContact CE2-CD2 3.48Å; F70-Y77 HydrophobicContact CE2-CD2 3.48Å; F70-Y77 VanDerWaalsContact CE2-CD2 3.48Å; F70-Y77 HydrophobicContact CE2-CE2 4.26Å; F70-Y77 AromaticContact CE2-CG 3.34Å; F70-Y77 HydrophobicContact CE2-CG 3.34Å; F70-Y77 AromaticContact CZ-CD1 3.94Å; F70-Y77 HydrophobicContact CZ-CD1 3.94Å; F70-Y77 HydrophobicContact CZ-CD2 4.22Å; F70-Y77 AromaticContact CZ-CG 3.59Å; F70-Y77 HydrophobicContact CZ-CG 3.59Å; F70-Y77 PolarHBondContact N-O 2.93Å; F70-Y77 PolarHBondContact O-N 3.24Å; F70-V79 HydrophobicContact CD1-CG2 4.08Å; F70-V79 HydrophobicContact CE1-CG2 3.59Å
71R88.2Confident92.3Very high151 Ų15155.8 Ų55.857%0.5726%0.261SS*.EExtended strand (participates in β ladder)trans-103.5144.6171.4-70.9-177.4172.8115.52.9110.9E39 K75 L76E39-R71 IonicContact OE1-CZ 2.85Å; E39-R71 IonicContact OE1-NE 3.73Å; E39-R71 IonicContact OE1-NH2 2.68Å; E39-R71 PolarHBondContact OE1-NH2 2.75Å; E39-R71 IonicContact OE2-CZ 2.83Å; E39-R71 VanDerWaalsContact OE2-CZ 3.25Å; E39-R71 IonicContact OE2-NE 3.48Å; E39-R71 PolarHBondContact OE2-NE 3.35Å; E39-R71 IonicContact OE2-NH2 3.87Å; E39-R71 PolarHBondContact OE2-NH2 3.44Å; R71-K75 CarbonylContact C-O 3.26Å; R71-K75 WeakPolarHBondContact CA-O 3.38Å; R71-L76 HydrophobicContact CG-CD1 3.59Å
72R86.5Confident92.4Very high112 Ų11252.4 Ų52.442%0.42324%0.24SC..EExtended strand (participates in β ladder)trans-145.3120.2170.8-167.9-171.6-164.7-149.58.8109.9N2 F70 K75 Y77N2-R72 PolarHBondContact OD1-NH2 2.72Å; F70-R72 HydrophobicContact CE2-CB 4.49Å; R72-K75 PolarHBondContact N-O 3.41Å; R72-K75 PolarHBondContact O-N 3.44Å; R72-Y77 HydrophobicContact CB-CD2 4.29Å; R72-Y77 HydrophobicContact CB-CE2 3.71Å
73R87.1Confident92.4Very high235 Ų23552.9 Ų52.989%0.88724%0.243SC*.THydrogen-bonded Turntrans50.156.2-176.5-62.1-179.4177.9175.1-2.8112K75R73-K75 PolarHBondContact O-N 3.15Å
74G82.4Confident92.1Very high52 Ų5258 Ų5854%0.53627%0.267SS..THydrogen-bonded Turntrans73.5-15.7178.900000116.6
75K85.4Confident92Very high77 Ų7760.2 Ų60.234%0.33527%0.274SS..EExtended strand (participates in β ladder)trans-95.9141.3-178.3-50.3-154.8178.2-1550112K36 R71 R72 R73 Y77K36-K75 PolarHBondContact O-NZ 3.27Å; R71-K75 CarbonylContact C-O 3.26Å; R71-K75 WeakPolarHBondContact CA-O 3.38Å; R72-K75 PolarHBondContact N-O 3.41Å; R72-K75 PolarHBondContact O-N 3.44Å; R73-K75 PolarHBondContact O-N 3.15Å; K75-Y77 HydrophobicContact CB-CE2 4.1Å; K75-Y77 WeakPolarHBondContact O-CD2 3.15Å; K75-Y77 VanDerWaalsContact O-CE2 3.3Å; K75-Y77 WeakPolarHBondContact O-CE2 3Å
76L87.6Confident92Very high12 Ų1257.8 Ų57.86%0.06326%0.264CS..EExtended strand (participates in β ladder)trans-85.9146.2174.4-165.872.3000111.7F35 T48 R71 L78F35-L76 HydrophobicContact CD2-CB 4.33Å; F35-L76 PolarHBondContact N-O 3.42Å; T48-L76 HydrophobicContact CG2-CD2 3.3Å; R71-L76 HydrophobicContact CG-CD1 3.59Å; L76-L78 HydrophobicContact CD2-CD2 3.97Å; L76-L78 HydrophobicContact CD2-CG 4.33Å; L76-L78 HydrophobicContact CG-CD2 4.42Å
77Y92.3Very high92.2Very high22 Ų2256.9 Ų56.99%0.08626%0.259CS..EExtended strand (participates in β ladder)trans-131.3122.2174.4-60-107.9000107.5M1 I32 K33 K34 A69 F70 R72 K75M1-Y77 HydrophobicContact CG-CD1 4.12Å; M1-Y77 HydrophobicContact CG-CE1 3.84Å; M1-Y77 HydrophobicContact SD-CD1 3.81Å; M1-Y77 HydrophobicContact SD-CE1 3.94Å; I32-Y77 HydrophobicContact CG2-CD1 3.96Å; I32-Y77 HydrophobicContact CG2-CG 4.49Å; K33-Y77 WeakPolarHBondContact O-CA 3.36Å; K34-Y77 HydrophobicContact CB-CD1 3.91Å; K34-Y77 HydrophobicContact CB-CE1 3.93Å; K34-Y77 HydrophobicContact CD-CE1 3.8Å; K34-Y77 HydrophobicContact CG-CD1 4.02Å; K34-Y77 HydrophobicContact CG-CE1 3.57Å; A69-Y77 WeakPolarHBondContact CA-O 3.28Å; F70-Y77 AromaticContact CD2-CD2 3.94Å; F70-Y77 HydrophobicContact CD2-CD2 3.94Å; F70-Y77 HydrophobicContact CD2-CG 4.09Å; F70-Y77 VanDerWaalsContact CE2-CB 3.44Å; F70-Y77 AromaticContact CE2-CD1 3.95Å; F70-Y77 HydrophobicContact CE2-CD1 3.95Å; F70-Y77 AromaticContact CE2-CD2 3.48Å; F70-Y77 HydrophobicContact CE2-CD2 3.48Å; F70-Y77 VanDerWaalsContact CE2-CD2 3.48Å; F70-Y77 HydrophobicContact CE2-CE2 4.26Å; F70-Y77 AromaticContact CE2-CG 3.34Å; F70-Y77 HydrophobicContact CE2-CG 3.34Å; F70-Y77 AromaticContact CZ-CD1 3.94Å; F70-Y77 HydrophobicContact CZ-CD1 3.94Å; F70-Y77 HydrophobicContact CZ-CD2 4.22Å; F70-Y77 AromaticContact CZ-CG 3.59Å; F70-Y77 HydrophobicContact CZ-CG 3.59Å; F70-Y77 PolarHBondContact N-O 2.93Å; F70-Y77 PolarHBondContact O-N 3.24Å; R72-Y77 HydrophobicContact CB-CD2 4.29Å; R72-Y77 HydrophobicContact CB-CE2 3.71Å; K75-Y77 HydrophobicContact CB-CE2 4.1Å; K75-Y77 WeakPolarHBondContact O-CD2 3.15Å; K75-Y77 VanDerWaalsContact O-CE2 3.3Å; K75-Y77 WeakPolarHBondContact O-CE2 3Å
78L93.1Very high92.2Very high0 Ų054.4 Ų54.40%025%0.249CC..EExtended strand (participates in β ladder)trans-102.1129.1170.5-60.8179.7000108.3I32 K33 F35 L52 L66 A69 L76 F80I32-L78 CarbonylContact C-O 3.58Å; I32-L78 VanDerWaalsContact CA-O 3.31Å; I32-L78 WeakPolarHBondContact CA-O 3.43Å; K33-L78 HydrophobicContact CB-CB 4.39Å; K33-L78 PolarHBondContact N-O 2.72Å; K33-L78 PolarHBondContact O-N 3.07Å; F35-L78 HydrophobicContact CE2-CD1 3.86Å; F35-L78 HydrophobicContact CE2-CG 4.03Å; F35-L78 HydrophobicContact CZ-CD1 4.16Å; L52-L78 HydrophobicContact CD1-CD2 4.17Å; L66-L78 HydrophobicContact CD1-CB 3.84Å; L66-L78 HydrophobicContact CD1-CD2 4.18Å; L66-L78 HydrophobicContact CD1-CG 4.47Å; A69-L78 HydrophobicContact CB-CD2 3.56Å; L76-L78 HydrophobicContact CD2-CD2 3.97Å; L76-L78 HydrophobicContact CD2-CG 4.33Å; L76-L78 HydrophobicContact CG-CD2 4.42Å; L78-F80 HydrophobicContact CB-CD2 4.33Å; L78-F80 HydrophobicContact CB-CE2 3.55Å; L78-F80 HydrophobicContact CB-CZ 4.02Å; L78-F80 HydrophobicContact CD1-CE2 4.41Å; L78-F80 HydrophobicContact CD1-CZ 4.21Å
79V95.6Very high92.4Very high2 Ų254.6 Ų54.61%0.01225%0.25CS..EExtended strand (participates in β ladder)trans-109.2118.1-178-176.30000109F4 V30 I32 K67 E68 F70F4-V79 HydrophobicContact CE1-CG1 4.26Å; F4-V79 HydrophobicContact CE2-CG2 4.23Å; F4-V79 HydrophobicContact CZ-CG1 4.02Å; F4-V79 HydrophobicContact CZ-CG2 4.17Å; V30-V79 HydrophobicContact CB-CG1 3.76Å; V30-V79 HydrophobicContact CG1-CG1 4.02Å; V30-V79 HydrophobicContact CG2-CG1 3.89Å; I32-V79 HydrophobicContact CD1-CG2 4.13Å; I32-V79 HydrophobicContact CG1-CG1 4.31Å; I32-V79 HydrophobicContact CG1-CG2 4.1Å; I32-V79 HydrophobicContact CG2-CG2 4.33Å; K67-V79 PolarHBondContact N-O 3.02Å; E68-V79 HydrophobicContact CG-CB 3.6Å; E68-V79 HydrophobicContact CG-CG1 4.21Å; E68-V79 HydrophobicContact CG-CG2 3.55Å; E68-V79 PolarHBondContact N-O 3.02Å; E68-V79 PolarHBondContact O-N 2.84Å; F70-V79 HydrophobicContact CD1-CG2 4.08Å; F70-V79 HydrophobicContact CE1-CG2 3.59Å
80F96.6Very high92.6Very high16 Ų1652.9 Ų52.97%0.0724%0.236CC..EExtended strand (participates in β ladder)trans-111.7164.3180-61-91.1000111.2V30 A31 K33 L55 V64 E65 L66 L78V30-F80 VanDerWaalsContact CA-O 3.29Å; V30-F80 WeakPolarHBondContact CA-O 3.47Å; V30-F80 VanDerWaalsContact CB-O 3.25Å; V30-F80 WeakPolarHBondContact CB-O 3.32Å; A31-F80 HydrophobicContact CB-CB 4.37Å; A31-F80 PolarHBondContact N-O 2.87Å; A31-F80 PolarHBondContact O-N 3.37Å; K33-F80 HydrophobicContact CB-CD2 4.49Å; K33-F80 HydrophobicContact CB-CE2 3.94Å; K33-F80 HydrophobicContact CD-CE2 4.38Å; L55-F80 HydrophobicContact CD1-CE1 3.56Å; L55-F80 HydrophobicContact CD1-CZ 3.66Å; L55-F80 HydrophobicContact CD2-CE1 3.96Å; L55-F80 HydrophobicContact CG-CE1 4.39Å; V64-F80 HydrophobicContact CG1-CD1 3.84Å; V64-F80 HydrophobicContact CG1-CE1 4Å; V64-F80 HydrophobicContact CG2-CB 4.03Å; V64-F80 HydrophobicContact CG2-CD1 3.96Å; V64-F80 HydrophobicContact CG2-CG 4.34Å; E65-F80 CarbonylContact O-C 3.58Å; E65-F80 WeakPolarHBondContact O-CA 3.37Å; L66-F80 HydrophobicContact CB-CD1 4.16Å; L66-F80 HydrophobicContact CB-CE1 4.07Å; L66-F80 HydrophobicContact CD1-CD1 4.13Å; L66-F80 HydrophobicContact CD1-CE1 3.85Å; L66-F80 HydrophobicContact CD1-CE2 4.29Å; L66-F80 HydrophobicContact CD1-CG 4.48Å; L66-F80 HydrophobicContact CD1-CZ 3.94Å; L78-F80 HydrophobicContact CB-CD2 4.33Å; L78-F80 HydrophobicContact CB-CE2 3.55Å; L78-F80 HydrophobicContact CB-CZ 4.02Å; L78-F80 HydrophobicContact CD1-CE2 4.41Å; L78-F80 HydrophobicContact CD1-CZ 4.21Å
81E95.9Very high92.8Very high36 Ų3651.7 Ų51.717%0.16823%0.231CC..EExtended strand (participates in β ladder)trans-51.8144.6157.566.3-176136.800110.9V64 E65 V83 K141V64-E81 WeakPolarHBondContact CA-OE1 3.46Å; V64-E81 HydrophobicContact CG2-CG 3.75Å; E65-E81 HydrophobicContact CB-CG 4.37Å; E65-E81 PolarHBondContact N-OE1 3.02Å; E65-E81 PolarHBondContact O-N 2.95Å; E81-V83 HydrophobicContact CG-CG2 4.2Å; E81-K141 VanDerWaalsContact CD-NZ 3.3Å; E81-K141 WeakPolarHBondContact OE1-CD 3.36Å; E81-K141 WeakPolarHBondContact OE1-CE 3.43Å; E81-K141 IonicContact OE1-NZ 3.06Å; E81-K141 PolarHBondContact OE1-NZ 3.23Å; E81-K141 WeakPolarHBondContact OE2-CE 3.5Å; E81-K141 IonicContact OE2-NZ 2.65Å; E81-K141 PolarHBondContact OE2-NZ 2.95Å; E81-K141 VanDerWaalsContact OE2-NZ 3.13Å
82Y97.3Very high93.2Very high50 Ų5048.9 Ų48.920%0.19623%0.225CC..PPolyproline II helixtrans-89.6116.9170.1174.8-101.4000110V10 K20 L29 A31 E84V10-Y82 HydrophobicContact CG2-CE2 4.09Å; K20-Y82 HydrophobicContact CB-CE2 4.43Å; K20-Y82 HydrophobicContact CD-CD2 4.2Å; K20-Y82 HydrophobicContact CD-CE1 4.13Å; K20-Y82 HydrophobicContact CD-CE2 3.67Å; K20-Y82 HydrophobicContact CG-CD2 3.98Å; K20-Y82 HydrophobicContact CG-CE2 3.92Å; K20-Y82 HydrophobicContact CG-CG 4.48Å; K20-Y82 PolarHBondContact NZ-OH 2.86Å; L29-Y82 HydrophobicContact CB-CD1 3.99Å; L29-Y82 HydrophobicContact CB-CG 4.2Å; L29-Y82 HydrophobicContact CD1-CD1 4.08Å; L29-Y82 HydrophobicContact CD1-CE1 4.47Å; L29-Y82 WeakPolarHBondContact O-CB 3.47Å; L29-Y82 PolarHBondContact O-N 3.15Å; A31-Y82 HydrophobicContact CB-CD2 4.49Å; Y82-E84 HydrophobicContact CE1-CB 4.42Å; Y82-E84 HydrophobicContact CE1-CG 4.18Å; Y82-E84 PolarHBondContact OH-O 3.4Å; Y82-E84 VanDerWaalsContact OH-O 3.1Å
83V96.9Very high93.6Very high16 Ų1649.1 Ų49.110%0.09723%0.23CC..PPolyproline II helixtrans-100.3142.8167.5-170.10000108.5E81 L133 I134 K141E81-V83 HydrophobicContact CG-CG2 4.2Å; V83-L133 HydrophobicContact CB-CB 3.78Å; V83-L133 HydrophobicContact CB-CD1 4.05Å; V83-L133 HydrophobicContact CB-CG 4.47Å; V83-L133 HydrophobicContact CG1-CB 3.72Å; V83-L133 HydrophobicContact CG2-CB 4.07Å; V83-L133 HydrophobicContact CG2-CD1 3.94Å; V83-I134 VanDerWaalsContact CG1-C 3.41Å; V83-I134 WeakPolarHBondContact CG1-O 3.45Å; V83-K141 HydrophobicContact CG2-CD 3.75Å
84E91.9Very high94Very high112 Ų11240.6 Ų40.652%0.52320%0.2SC..SBendtrans-72.3-43.9-161.5-57.7-172.4120.600114.4Y82 S136Y82-E84 HydrophobicContact CE1-CB 4.42Å; Y82-E84 HydrophobicContact CE1-CG 4.18Å; Y82-E84 PolarHBondContact OH-O 3.4Å; Y82-E84 VanDerWaalsContact OH-O 3.1Å; E84-S136 WeakPolarHBondContact OE2-CA 3.45Å; E84-S136 WeakPolarHBondContact OE2-CB 3.43Å; E84-S136 PolarHBondContact OE2-N 3.4Å
85R94.3Very high94.7Very high54 Ų5440.5 Ų40.520%0.20419%0.19CC..EExtended strand (participates in β ladder)trans-136.6166.4-174.958.9176170.9172.9-0111.6E89 E93 I134 S135 D138R85-E89 WeakPolarHBondContact CA-OE2 3.26Å; R85-E89 VanDerWaalsContact CB-OE2 3.31Å; R85-E89 WeakPolarHBondContact CB-OE2 3.31Å; R85-E93 IonicContact NH1-OE2 2.89Å; R85-I134 HydrophobicContact CG-CB 4.32Å; R85-I134 WeakPolarHBondContact CG-O 3.33Å; R85-I134 PolarHBondContact O-N 3.15Å; R85-S135 PolarHBondContact NH2-O 3.32Å; R85-D138 IonicContact NH2-OD1 3.85Å; R85-D138 PolarHBondContact NH2-OD1 2.9Å
86N96.3Very high95.2Very high24 Ų2443.5 Ų43.513%0.12821%0.209CC..EExtended strand (participates in β ladder)trans-114.9172.3170.158.163.7000112L88 E89 L90 L132 L133N86-L88 VanDerWaalsContact C-N 3.32Å; N86-L88 PolarHBondContact O-N 3.18Å; N86-L88 WeakPolarHBondContact OD1-CB 3.42Å; N86-L88 PolarHBondContact OD1-N 3.01Å; N86-E89 PolarHBondContact N-OE2 2.84Å; N86-E89 VanDerWaalsContact N-OE2 3.11Å; N86-E89 PolarHBondContact ND2-OE1 2.88Å; N86-E89 PolarHBondContact ND2-OE2 3.22Å; N86-E89 PolarHBondContact O-N 3.38Å; N86-E89 WeakPolarHBondContact OD1-CG 3.45Å; N86-E89 PolarHBondContact OD1-N 2.79Å; N86-L90 PolarHBondContact O-N 2.8Å; N86-L90 VanDerWaalsContact O-N 3.15Å; N86-L132 CarbonylContact C-O 3.57Å; N86-L132 VanDerWaalsContact CA-O 3.26Å; N86-L132 WeakPolarHBondContact CA-O 3.47Å; N86-L133 HydrophobicContact CB-CD2 4.18Å
87M97.7Very high95.6Very high0 Ų043.7 Ų43.70%021%0.214CC..Hα-helixtrans-71.9-24.6-178.3-174.3174.5-7400112.9L90 L91 Y106 P129 L132 I134 L140 I191 L195M87-L90 WeakPolarHBondContact O-CB 3.4Å; M87-L90 PolarHBondContact O-N 2.84Å; M87-L91 HydrophobicContact CG-CD1 4.42Å; M87-L91 WeakPolarHBondContact O-CG 3.31Å; M87-L91 PolarHBondContact O-N 3.43Å; M87-Y106 HydrophobicContact CE-CG 4.37Å; M87-P129 HydrophobicContact CB-CB 4.11Å; M87-P129 WeakPolarHBondContact CB-O 3.3Å; M87-P129 HydrophobicContact CG-CB 4.24Å; M87-P129 PolarHBondContact N-O 3.27Å; M87-L132 HydrophobicContact CB-CB 3.89Å; M87-L132 HydrophobicContact CE-CB 4.3Å; M87-L132 HydrophobicContact CE-CD1 3.87Å; M87-L132 PolarHBondContact N-O 3.49Å; M87-L132 HydrophobicContact SD-CB 4.42Å; M87-L132 HydrophobicContact SD-CD1 3.67Å; M87-I134 HydrophobicContact CB-CD1 4.09Å; M87-I134 HydrophobicContact CE-CD1 4.12Å; M87-I134 HydrophobicContact CG-CD1 4.42Å; M87-L140 HydrophobicContact CE-CD1 3.49Å; M87-L140 VanDerWaalsContact CE-CD1 3.49Å; M87-I191 HydrophobicContact SD-CG2 3.49Å; M87-I191 WeakPolarHBondContact SD-CG2 3.39Å; M87-L195 HydrophobicContact CE-CD1 3.89Å; M87-L195 HydrophobicContact CE-CD2 4.28Å; M87-L195 HydrophobicContact CG-CD2 3.93Å; M87-L195 HydrophobicContact SD-CD1 3.84Å; M87-L195 HydrophobicContact SD-CD2 3.82Å; M87-L195 HydrophobicContact SD-CG 3.92Å
88L95.1Very high95.8Very high25 Ų2543 Ų4313%0.13121%0.214CC..Hα-helixtrans-64-45.8169.9173.873.3000110.9N86 L90 L91 E92 P129 E130 Y671N86-L88 VanDerWaalsContact C-N 3.32Å; N86-L88 PolarHBondContact O-N 3.18Å; N86-L88 WeakPolarHBondContact OD1-CB 3.42Å; N86-L88 PolarHBondContact OD1-N 3.01Å; L88-L90 VanDerWaalsContact C-N 3.28Å; L88-L90 PolarHBondContact O-N 2.88Å; L88-L91 CarbonylContact O-C 3.54Å; L88-L91 WeakPolarHBondContact O-CA 3.33Å; L88-L91 WeakPolarHBondContact O-CB 3.39Å; L88-L91 PolarHBondContact O-N 3.03Å; L88-E92 PolarHBondContact O-N 3.46Å; L88-P129 HydrophobicContact CB-CB 4.1Å; L88-P129 PolarHBondContact N-O 2.9Å; L88-E130 HydrophobicContact CB-CG 4.38Å; L88-E130 HydrophobicContact CD2-CG 3.96Å; L88-Y671 HydrophobicContact CD1-CD1 4.02Å; L88-Y671 HydrophobicContact CD1-CD2 4.42Å; L88-Y671 HydrophobicContact CD1-CE1 3.59Å; L88-Y671 HydrophobicContact CD1-CE2 4.04Å; L88-Y671 HydrophobicContact CD1-CG 4.41Å; L88-Y671 HydrophobicContact CD2-CD1 3.29Å; L88-Y671 HydrophobicContact CD2-CE1 3.52Å; L88-Y671 HydrophobicContact CD2-CG 3.99Å; L88-Y671 HydrophobicContact CG-CD1 4.28Å; L88-Y671 HydrophobicContact CG-CE1 4.21Å
89E95.7Very high96Very high79 Ų7945.7 Ų45.737%0.36923%0.231SC..Hα-helixtrans-62.3-36.1175.9-71.9161.6-17500111.6R85 N86 E92 E93R85-E89 WeakPolarHBondContact CA-OE2 3.26Å; R85-E89 VanDerWaalsContact CB-OE2 3.31Å; R85-E89 WeakPolarHBondContact CB-OE2 3.31Å; N86-E89 PolarHBondContact N-OE2 2.84Å; N86-E89 VanDerWaalsContact N-OE2 3.11Å; N86-E89 PolarHBondContact ND2-OE1 2.88Å; N86-E89 PolarHBondContact ND2-OE2 3.22Å; N86-E89 PolarHBondContact O-N 3.38Å; N86-E89 WeakPolarHBondContact OD1-CG 3.45Å; N86-E89 PolarHBondContact OD1-N 2.79Å; E89-E92 PolarHBondContact O-N 2.81Å; E89-E93 PolarHBondContact O-N 3Å
90L96.3Very high96.1Very high0 Ų049.2 Ų49.20%025%0.254CS..Hα-helixtrans-63-38.8169.9-175.580.9000112.1N86 M87 L88 E92 E93 F94 Y106 I134 L195N86-L90 PolarHBondContact O-N 2.8Å; N86-L90 VanDerWaalsContact O-N 3.15Å; M87-L90 WeakPolarHBondContact O-CB 3.4Å; M87-L90 PolarHBondContact O-N 2.84Å; L88-L90 VanDerWaalsContact C-N 3.28Å; L88-L90 PolarHBondContact O-N 2.88Å; L90-E92 VanDerWaalsContact C-N 3.3Å; L90-E93 WeakPolarHBondContact O-CB 3.15Å; L90-E93 PolarHBondContact O-N 2.88Å; L90-F94 HydrophobicContact CD1-CD2 3.72Å; L90-F94 HydrophobicContact CD1-CE2 3.78Å; L90-F94 HydrophobicContact CG-CD2 4.03Å; L90-F94 WeakPolarHBondContact O-CB 3.5Å; L90-F94 WeakPolarHBondContact O-CD2 3.49Å; L90-F94 PolarHBondContact O-N 2.86Å; L90-Y106 HydrophobicContact CD2-CD2 4.08Å; L90-Y106 HydrophobicContact CD2-CE2 3.42Å; L90-Y106 VanDerWaalsContact CD2-CE2 3.42Å; L90-I134 HydrophobicContact CB-CD1 4.45Å; L90-I134 HydrophobicContact CD2-CD1 3.85Å; L90-L195 HydrophobicContact CD2-CD2 4.16Å
91L96.7Very high96.1Very high11 Ų1153.9 Ų53.96%0.05828%0.276CS..Hα-helixtrans-72.3-22.3175.8-71.8161.5000112.8M87 L88 F94 P95 P129 E194 L195M87-L91 HydrophobicContact CG-CD1 4.42Å; M87-L91 WeakPolarHBondContact O-CG 3.31Å; M87-L91 PolarHBondContact O-N 3.43Å; L88-L91 CarbonylContact O-C 3.54Å; L88-L91 WeakPolarHBondContact O-CA 3.33Å; L88-L91 WeakPolarHBondContact O-CB 3.39Å; L88-L91 PolarHBondContact O-N 3.03Å; L91-F94 CarbonylContact O-C 3.58Å; L91-P95 WeakPolarHBondContact O-CA 3.33Å; L91-P129 HydrophobicContact CD1-CB 3.97Å; L91-P129 HydrophobicContact CD1-CG 3.96Å; L91-E194 HydrophobicContact CD1-CG 3.81Å; L91-E194 HydrophobicContact CD2-CG 4.02Å; L91-E194 WeakPolarHBondContact CD2-O 3.37Å; L91-L195 HydrophobicContact CD2-CD2 4.32Å
92E96.1Very high96.1Very high92 Ų9254.7 Ų54.743%0.4328%0.279SS..Hα-helixtrans-75.3-31.1167.3-63.3-151.7121.900112.7L88 E89 L90 R667L88-E92 PolarHBondContact O-N 3.46Å; E89-E92 PolarHBondContact O-N 2.81Å; L90-E92 VanDerWaalsContact C-N 3.3Å; E92-R667 IonicContact OE1-NH1 3.37Å; E92-R667 PolarHBondContact OE1-NH1 3.1Å
93E95.9Very high96.2Very high117 Ų11752.6 Ų52.655%0.54727%0.271SS..Hα-helixtrans-71.7-38.4170.4-172-175178.400111.8R85 E89 L90 P95R85-E93 IonicContact NH1-OE2 2.89Å; E89-E93 PolarHBondContact O-N 3Å; L90-E93 WeakPolarHBondContact O-CB 3.15Å; L90-E93 PolarHBondContact O-N 2.88Å; E93-P95 WeakPolarHBondContact O-CD 3.17Å
94F95.6Very high96.3Very high55 Ų5554.1 Ų54.124%0.24128%0.275CS..  trans-117.363.9-177.1-66.8-81.8000112.7L90 L91 N96 G97 A98 P99L90-F94 HydrophobicContact CD1-CD2 3.72Å; L90-F94 HydrophobicContact CD1-CE2 3.78Å; L90-F94 HydrophobicContact CG-CD2 4.03Å; L90-F94 WeakPolarHBondContact O-CB 3.5Å; L90-F94 WeakPolarHBondContact O-CD2 3.49Å; L90-F94 PolarHBondContact O-N 2.86Å; L91-F94 CarbonylContact O-C 3.58Å; F94-N96 PolarHBondContact O-N 3.42Å; F94-G97 PolarHBondContact O-N 2.85Å; F94-A98 HydrophobicContact CB-CB 4.31Å; F94-A98 HydrophobicContact CG-CB 4.3Å; F94-P99 HydrophobicContact CE1-CG 4.36Å
95P95.8Very high96.6Very high51 Ų5150.4 Ų50.433%0.33126%0.261SS..THydrogen-bonded Turntrans-70-3.5-172.230.7-38.6000115.3L91 E93 Q199L91-P95 WeakPolarHBondContact O-CA 3.33Å; E93-P95 WeakPolarHBondContact O-CD 3.17Å; P95-Q199 PolarHBondContact O-NE2 3.17Å
96N95.9Very high96.8Very high139 Ų13947.8 Ų47.874%0.74325%0.252SS*.THydrogen-bonded Turntrans-11613.8175.9-56.1-31.5000112F94 D197F94-N96 PolarHBondContact O-N 3.42Å; N96-D197 VanDerWaalsContact C-C 3.4Å; N96-D197 CarbonylContact C-O 3.52Å; N96-D197 VanDerWaalsContact C-O 3.26Å; N96-D197 WeakPolarHBondContact CA-O 3.3Å
97G96.3Very high96.9Very high16 Ų1646.7 Ų46.717%0.16525%0.246CC..  trans101.6148.3-173.600000113.1F94F94-G97 PolarHBondContact O-N 2.85Å
98A97.6Very high96.9Very high9 Ų947.2 Ų47.27%0.07425%0.248CC..  trans-85.7159.7176.500000111.3F94 V103 L195F94-A98 HydrophobicContact CB-CB 4.31Å; F94-A98 HydrophobicContact CG-CB 4.3Å; A98-V103 HydrophobicContact CB-CG2 4.12Å; A98-V103 WeakPolarHBondContact O-CG2 3.38Å; A98-L195 PolarHBondContact N-O 3.09Å
99P97.3Very high97.1Very high55 Ų5547.3 Ų47.336%0.35725%0.248SC..  trans-52.8135.6176.6-28.635.4000112.7F94 E101 K102 V103F94-P99 HydrophobicContact CE1-CG 4.36Å; P99-E101 PolarHBondContact O-N 3.31Å; P99-K102 HydrophobicContact CB-CB 4.5Å; P99-K102 HydrophobicContact CG-CD 4.31Å; P99-K102 WeakPolarHBondContact O-CA 3.3Å; P99-K102 WeakPolarHBondContact O-CB 3.35Å; P99-K102 PolarHBondContact O-N 3.09Å; P99-V103 PolarHBondContact O-N 3.47Å
100P96.8Very high97.2Very high77 Ų7743.5 Ų43.550%0.523%0.23SC..Hα-helixtrans-54.2-30.8-172.9-29.336.1000114.9V103 R104P100-V103 PolarHBondContact O-N 3.19Å; P100-R104 VanDerWaalsContact O-CB 3.31Å; P100-R104 WeakPolarHBondContact O-CB 3.21Å; P100-R104 PolarHBondContact O-N 2.82Å
101E96.2Very high97.4Very high114 Ų11443.5 Ų43.553%0.53323%0.23SC..Hα-helixtrans-68.5-41176.5-73.949.1-112.900111.7P99 R104 S105P99-E101 PolarHBondContact O-N 3.31Å; E101-R104 IonicContact OE1-CZ 2.71Å; E101-R104 IonicContact OE1-NH1 3.58Å; E101-R104 PolarHBondContact OE1-NH1 2.86Å; E101-R104 IonicContact OE1-NH2 3.47Å; E101-S105 WeakPolarHBondContact O-CB 3.39Å; E101-S105 PolarHBondContact O-N 2.81Å
102K97.1Very high97.4Very high53 Ų5346 Ų4623%0.2324%0.24CC..Hα-helixtrans-66.2-45.4171.6-86.8177.3177.6-79.30110.6P99 R104 S105 Y106 D138P99-K102 HydrophobicContact CB-CB 4.5Å; P99-K102 HydrophobicContact CG-CD 4.31Å; P99-K102 WeakPolarHBondContact O-CA 3.3Å; P99-K102 WeakPolarHBondContact O-CB 3.35Å; P99-K102 PolarHBondContact O-N 3.09Å; K102-R104 PolarHBondContact O-N 2.94Å; K102-S105 WeakPolarHBondContact O-CB 3.36Å; K102-S105 PolarHBondContact O-N 3.35Å; K102-S105 VanDerWaalsContact O-N 3.17Å; K102-Y106 HydrophobicContact CB-CD2 4.27Å; K102-Y106 HydrophobicContact CB-CE2 3.72Å; K102-Y106 HydrophobicContact CD-CE2 4.41Å; K102-Y106 HydrophobicContact CG-CE2 4.16Å; K102-Y106 PolarHBondContact NZ-OH 3.37Å; K102-Y106 WeakPolarHBondContact O-CD2 3.48Å; K102-Y106 VanDerWaalsContact O-CG 3.31Å; K102-Y106 PolarHBondContact O-N 3.26Å; K102-D138 IonicContact NZ-OD1 3.58Å; K102-D138 PolarHBondContact NZ-OD1 2.83Å; K102-D138 IonicContact NZ-OD2 3.53Å; K102-D138 PolarHBondContact NZ-OD2 3.24Å
103V98.4Very high97.6Very high5 Ų541.6 Ų41.63%0.0322%0.22CC..Hα-helixtrans-56-49.7175.4-176.70000111.1A98 P99 P100 S105 I107 L192 L195A98-V103 HydrophobicContact CB-CG2 4.12Å; A98-V103 WeakPolarHBondContact O-CG2 3.38Å; P99-V103 PolarHBondContact O-N 3.47Å; P100-V103 PolarHBondContact O-N 3.19Å; V103-S105 VanDerWaalsContact C-N 3.34Å; V103-S105 PolarHBondContact O-N 2.87Å; V103-I107 HydrophobicContact CG1-CG1 4.36Å; V103-I107 WeakPolarHBondContact O-CB 3.29Å; V103-I107 WeakPolarHBondContact O-CG1 3.45Å; V103-I107 PolarHBondContact O-N 2.88Å; V103-L192 HydrophobicContact CG1-CD1 3.69Å; V103-L195 HydrophobicContact CG1-CB 3.93Å; V103-L195 HydrophobicContact CG1-CD1 4.47Å; V103-L195 HydrophobicContact CG2-CB 4.07Å; V103-L195 VanDerWaalsContact CG2-O 3.3Å; V103-L195 WeakPolarHBondContact CG2-O 3.31Å
104R98.4Very high97.7Very high49 Ų4936 Ų3619%0.18519%0.194CC..Hα-helixtrans-59.7-42.5177.2-169.9-171.7-64.3111.54.8111.7P100 E101 K102 F108 M261 A287 F288 L291P100-R104 VanDerWaalsContact O-CB 3.31Å; P100-R104 WeakPolarHBondContact O-CB 3.21Å; P100-R104 PolarHBondContact O-N 2.82Å; E101-R104 IonicContact OE1-CZ 2.71Å; E101-R104 IonicContact OE1-NH1 3.58Å; E101-R104 PolarHBondContact OE1-NH1 2.86Å; E101-R104 IonicContact OE1-NH2 3.47Å; K102-R104 PolarHBondContact O-N 2.94Å; R104-F108 WeakPolarHBondContact O-CB 3.39Å; R104-F108 PolarHBondContact O-N 2.82Å; R104-F108 VanDerWaalsContact O-N 3.09Å; R104-M261 HydrophobicContact CB-CE 4.44Å; R104-M261 HydrophobicContact CB-SD 4.3Å; R104-M261 HydrophobicContact CG-SD 4.03Å; R104-A287 WeakPolarHBondContact CD-O 3.33Å; R104-F288 HydrophobicContact CG-CD1 3.91Å; R104-F288 HydrophobicContact CG-CE1 4.1Å; R104-L291 HydrophobicContact CG-CD1 4.02Å
105S98.3Very high97.8Very high33 Ų3334.6 Ų34.623%0.23119%0.189CC..Hα-helixtrans-64-54.2177.6-178.80000112.5E101 K102 V103 I107 F108 Q109E101-S105 WeakPolarHBondContact O-CB 3.39Å; E101-S105 PolarHBondContact O-N 2.81Å; K102-S105 WeakPolarHBondContact O-CB 3.36Å; K102-S105 PolarHBondContact O-N 3.35Å; K102-S105 VanDerWaalsContact O-N 3.17Å; V103-S105 VanDerWaalsContact C-N 3.34Å; V103-S105 PolarHBondContact O-N 2.87Å; S105-I107 PolarHBondContact O-N 2.71Å; S105-F108 PolarHBondContact O-N 3.3Å; S105-Q109 WeakPolarHBondContact O-CG 3.5Å; S105-Q109 PolarHBondContact O-N 3.47Å; S105-Q109 PolarHBondContact OG-NE2 2.76Å
106Y98.7Very high97.9Very high0 Ų036.5 Ų36.50%019%0.189CC..Hα-helixtrans-64.9-42-176.5-58.3-42.6000111.9M87 L90 K102 F108 Q109 L110 I134 D138 L195M87-Y106 HydrophobicContact CE-CG 4.37Å; L90-Y106 HydrophobicContact CD2-CD2 4.08Å; L90-Y106 HydrophobicContact CD2-CE2 3.42Å; L90-Y106 VanDerWaalsContact CD2-CE2 3.42Å; K102-Y106 HydrophobicContact CB-CD2 4.27Å; K102-Y106 HydrophobicContact CB-CE2 3.72Å; K102-Y106 HydrophobicContact CD-CE2 4.41Å; K102-Y106 HydrophobicContact CG-CE2 4.16Å; K102-Y106 PolarHBondContact NZ-OH 3.37Å; K102-Y106 WeakPolarHBondContact O-CD2 3.48Å; K102-Y106 VanDerWaalsContact O-CG 3.31Å; K102-Y106 PolarHBondContact O-N 3.26Å; Y106-F108 PolarHBondContact O-N 2.96Å; Y106-Q109 PolarHBondContact O-N 3.22Å; Y106-L110 VanDerWaalsContact O-CB 3.25Å; Y106-L110 WeakPolarHBondContact O-CB 3.41Å; Y106-L110 PolarHBondContact O-N 3.49Å; Y106-I134 HydrophobicContact CD1-CD1 4.4Å; Y106-I134 HydrophobicContact CE1-CD1 4.18Å; Y106-I134 HydrophobicContact CE1-CG2 3.83Å; Y106-I134 HydrophobicContact CE2-CD1 4.38Å; Y106-D138 HydrophobicContact CE1-CB 3.96Å; Y106-D138 PolarHBondContact OH-OD1 3.35Å; Y106-L195 HydrophobicContact CD2-CD1 4.5Å
107I98.8Very high98Very high0 Ų030 Ų300%015%0.154CC..Hα-helixtrans-66.1-38.1176.9-64.4-63.8000111.2V103 S105 L110 I111 V188 I191 L192 L195 F288V103-I107 HydrophobicContact CG1-CG1 4.36Å; V103-I107 WeakPolarHBondContact O-CB 3.29Å; V103-I107 WeakPolarHBondContact O-CG1 3.45Å; V103-I107 PolarHBondContact O-N 2.88Å; S105-I107 PolarHBondContact O-N 2.71Å; I107-L110 HydrophobicContact CD1-CD2 4.3Å; I107-L110 PolarHBondContact O-N 3.07Å; I107-I111 HydrophobicContact CG2-CD1 3.72Å; I107-I111 HydrophobicContact CG2-CG1 4.38Å; I107-I111 WeakPolarHBondContact O-CD1 3.14Å; I107-I111 WeakPolarHBondContact O-CG1 3.08Å; I107-I111 PolarHBondContact O-N 2.66Å; I107-V188 HydrophobicContact CD1-CG1 4.2Å; I107-V188 HydrophobicContact CG2-CG1 3.83Å; I107-I191 HydrophobicContact CD1-CB 4.49Å; I107-I191 HydrophobicContact CD1-CG2 4.05Å; I107-L192 HydrophobicContact CD1-CB 3.88Å; I107-L192 HydrophobicContact CG1-CB 4.05Å; I107-L192 HydrophobicContact CG1-CD1 4.03Å; I107-L195 HydrophobicContact CD1-CD1 3.9Å; I107-L195 HydrophobicContact CG1-CD1 4.02Å; I107-F288 HydrophobicContact CG2-CZ 4.02Å
108F98.7Very high98.1Very high12 Ų1229.4 Ų29.45%0.05315%0.147CC..Hα-helixtrans-62.3-46.6173.4-178.9-112.5000112.4R104 S105 Y106 L110 I111 K112 L283 F288 L291 R292 E295R104-F108 WeakPolarHBondContact O-CB 3.39Å; R104-F108 PolarHBondContact O-N 2.82Å; R104-F108 VanDerWaalsContact O-N 3.09Å; S105-F108 PolarHBondContact O-N 3.3Å; Y106-F108 PolarHBondContact O-N 2.96Å; F108-L110 PolarHBondContact O-N 3.1Å; F108-I111 PolarHBondContact O-N 3.36Å; F108-K112 HydrophobicContact CD1-CD 4.13Å; F108-K112 HydrophobicContact CE1-CD 3.72Å; F108-K112 HydrophobicContact CZ-CD 4.02Å; F108-K112 WeakPolarHBondContact O-CG 3.43Å; F108-K112 PolarHBondContact O-N 3.09Å; F108-L283 HydrophobicContact CD2-CD2 3.76Å; F108-L283 HydrophobicContact CE2-CD2 3.61Å; F108-L283 HydrophobicContact CZ-CD2 4.47Å; F108-F288 HydrophobicContact CB-CD1 3.76Å; F108-F288 HydrophobicContact CB-CE1 3.78Å; F108-F288 HydrophobicContact CB-CG 4.32Å; F108-F288 HydrophobicContact CB-CZ 4.35Å; F108-F288 HydrophobicContact CD2-CB 3.69Å; F108-F288 AromaticContact CD2-CD1 3.84Å; F108-F288 HydrophobicContact CD2-CD1 3.84Å; F108-F288 AromaticContact CD2-CD2 3.82Å; F108-F288 HydrophobicContact CD2-CD2 3.82Å; F108-F288 HydrophobicContact CD2-CE1 4.42Å; F108-F288 HydrophobicContact CD2-CE2 4.41Å; F108-F288 AromaticContact CD2-CG 3.51Å; F108-F288 HydrophobicContact CD2-CG 3.51Å; F108-F288 HydrophobicContact CE2-CB 3.93Å; F108-F288 HydrophobicContact CE2-CD2 4.5Å; F108-F288 HydrophobicContact CE2-CG 4.21Å; F108-F288 HydrophobicContact CG-CD1 4.15Å; F108-F288 HydrophobicContact CG-CG 4.27Å; F108-L291 HydrophobicContact CB-CD1 3.59Å; F108-L291 HydrophobicContact CD1-CB 4.14Å; F108-L291 HydrophobicContact CD1-CD1 3.72Å; F108-L291 HydrophobicContact CD2-CD1 4.45Å; F108-L291 HydrophobicContact CE1-CB 4.1Å; F108-L291 HydrophobicContact CG-CB 4.49Å; F108-L291 HydrophobicContact CG-CD1 3.68Å; F108-L291 HydrophobicContact CZ-CB 4.42Å; F108-R292 HydrophobicContact CE2-CG 4.26Å; F108-R292 HydrophobicContact CZ-CG 4.27Å; F108-E295 WeakPolarHBondContact CE1-OE2 3.4Å; F108-E295 WeakPolarHBondContact CZ-OE2 3.16Å
109Q98.6Very high98Very high26 Ų2634.7 Ų34.712%0.12117%0.169CC..Hα-helixtrans-63.2-39.7175.9-70.2-175.471.800112.5N62 S105 Y106 K112 A113 D138 L140N62-Q109 PolarHBondContact ND2-OE1 2.96Å; S105-Q109 WeakPolarHBondContact O-CG 3.5Å; S105-Q109 PolarHBondContact O-N 3.47Å; S105-Q109 PolarHBondContact OG-NE2 2.76Å; Y106-Q109 PolarHBondContact O-N 3.22Å; Q109-K112 WeakPolarHBondContact O-CB 3.16Å; Q109-K112 PolarHBondContact O-N 3.17Å; Q109-A113 PolarHBondContact O-N 3.42Å; Q109-D138 PolarHBondContact NE2-O 3.4Å; Q109-L140 HydrophobicContact CB-CB 3.98Å; Q109-L140 HydrophobicContact CB-CD2 4.47Å
110L98.8Very high97.9Very high0 Ų034.5 Ų34.50%017%0.165CC..Hα-helixtrans-62.7-44.7175.5176.555.8000111.5Y106 I107 F108 K112 A113 I114 I127 L132 L140 V188 I191Y106-L110 VanDerWaalsContact O-CB 3.25Å; Y106-L110 WeakPolarHBondContact O-CB 3.41Å; Y106-L110 PolarHBondContact O-N 3.49Å; I107-L110 HydrophobicContact CD1-CD2 4.3Å; I107-L110 PolarHBondContact O-N 3.07Å; F108-L110 PolarHBondContact O-N 3.1Å; L110-K112 VanDerWaalsContact C-N 3.3Å; L110-K112 PolarHBondContact O-N 2.79Å; L110-A113 WeakPolarHBondContact O-CB 3.38Å; L110-A113 PolarHBondContact O-N 3.4Å; L110-I114 HydrophobicContact CD1-CD1 3.73Å; L110-I114 HydrophobicContact CD1-CG1 4.11Å; L110-I114 HydrophobicContact CG-CD1 3.81Å; L110-I114 VanDerWaalsContact O-CG1 3.26Å; L110-I114 WeakPolarHBondContact O-CG1 3.5Å; L110-I114 PolarHBondContact O-N 3.06Å; L110-I127 HydrophobicContact CD1-CG2 4.21Å; L110-L132 HydrophobicContact CD1-CD1 4.26Å; L110-L132 HydrophobicContact CD1-CD2 3.55Å; L110-L132 HydrophobicContact CD2-CD1 3.81Å; L110-L140 HydrophobicContact CB-CD1 4.34Å; L110-L140 HydrophobicContact CB-CD2 4.08Å; L110-L140 HydrophobicContact CD1-CD2 4.37Å; L110-V188 HydrophobicContact CD2-CG1 4.27Å; L110-V188 HydrophobicContact CD2-CG2 4Å; L110-V188 HydrophobicContact CG-CG2 4.1Å; L110-I191 HydrophobicContact CD2-CD1 4.45Å; L110-I191 HydrophobicContact CD2-CG2 4.49Å
111I98.8Very high97.8Very high0 Ų034.4 Ų34.40%016%0.158CC..Hα-helixtrans-66.5-33.9176.3-59.6157.6000110.5I107 F108 N115 M185 V188 M268 T279 C282 L283 F288I107-I111 HydrophobicContact CG2-CD1 3.72Å; I107-I111 HydrophobicContact CG2-CG1 4.38Å; I107-I111 WeakPolarHBondContact O-CD1 3.14Å; I107-I111 WeakPolarHBondContact O-CG1 3.08Å; I107-I111 PolarHBondContact O-N 2.66Å; F108-I111 PolarHBondContact O-N 3.36Å; I111-N115 VanDerWaalsContact O-CB 3.22Å; I111-N115 WeakPolarHBondContact O-CB 3.48Å; I111-N115 PolarHBondContact O-N 3.02Å; I111-M185 HydrophobicContact CG2-CE 4.42Å; I111-V188 HydrophobicContact CD1-CG1 4.22Å; I111-V188 HydrophobicContact CG1-CG1 3.88Å; I111-M268 HydrophobicContact CD1-SD 4.33Å; I111-T279 HydrophobicContact CG2-CG2 4.24Å; I111-C282 HydrophobicContact CD1-CB 4.01Å; I111-C282 HydrophobicContact CG2-CB 4.04Å; I111-L283 HydrophobicContact CB-CD2 4.08Å; I111-L283 HydrophobicContact CB-CG 4.45Å; I111-L283 HydrophobicContact CG2-CD1 4.33Å; I111-L283 HydrophobicContact CG2-CD2 3.85Å; I111-L283 HydrophobicContact CG2-CG 3.67Å; I111-F288 HydrophobicContact CD1-CE2 3.68Å; I111-F288 HydrophobicContact CD1-CZ 3.77Å
112K98.3Very high97.7Very high62 Ų6229.4 Ų29.427%0.2713%0.134SC..Hα-helixtrans-62.1-45.2171.2-73.417765.1-178.40112.3F108 Q109 L110 N115 W116 L283 E295F108-K112 HydrophobicContact CD1-CD 4.13Å; F108-K112 HydrophobicContact CE1-CD 3.72Å; F108-K112 HydrophobicContact CZ-CD 4.02Å; F108-K112 WeakPolarHBondContact O-CG 3.43Å; F108-K112 PolarHBondContact O-N 3.09Å; Q109-K112 WeakPolarHBondContact O-CB 3.16Å; Q109-K112 PolarHBondContact O-N 3.17Å; L110-K112 VanDerWaalsContact C-N 3.3Å; L110-K112 PolarHBondContact O-N 2.79Å; K112-N115 WeakPolarHBondContact O-CB 3.03Å; K112-N115 PolarHBondContact O-N 2.88Å; K112-W116 PolarHBondContact O-N 2.82Å; K112-W116 VanDerWaalsContact O-N 3.1Å; K112-L283 HydrophobicContact CG-CD2 3.8Å; K112-E295 IonicContact NZ-OE1 2.79Å; K112-E295 PolarHBondContact NZ-OE1 3.25Å
113A98.5Very high97.6Very high0 Ų026.9 Ų26.90%012%0.123CC..Hα-helixtrans-58.9-50.1175.200000111.7N62 I63 Q109 L110 N115 W116 C117 L142N62-A113 HydrophobicContact CB-CB 3.81Å; N62-A113 WeakPolarHBondContact O-CB 3.47Å; I63-A113 HydrophobicContact CD1-CB 3.93Å; Q109-A113 PolarHBondContact O-N 3.42Å; L110-A113 WeakPolarHBondContact O-CB 3.38Å; L110-A113 PolarHBondContact O-N 3.4Å; A113-N115 VanDerWaalsContact C-N 3.31Å; A113-N115 PolarHBondContact O-N 2.88Å; A113-W116 WeakPolarHBondContact O-CB 3.32Å; A113-W116 PolarHBondContact O-N 2.81Å; A113-W116 VanDerWaalsContact O-N 3.13Å; A113-C117 PolarHBondContact O-N 3.04Å; A113-C117 VanDerWaalsContact O-N 3.1Å; A113-C117 PolarHBondContact O-SG 3.04Å; A113-L142 HydrophobicContact CB-CB 4.19Å; A113-L142 HydrophobicContact CB-CD2 4.48Å
114I98.6Very high97.5Very high1 Ų126.7 Ų26.71%0.00512%0.122CC..Hα-helixtrans-64.1-37.3178.9-63.4164.8000110.8L110 W116 C117 H118 I127 L142 D184 M185 V188 T279L110-I114 HydrophobicContact CD1-CD1 3.73Å; L110-I114 HydrophobicContact CD1-CG1 4.11Å; L110-I114 HydrophobicContact CG-CD1 3.81Å; L110-I114 VanDerWaalsContact O-CG1 3.26Å; L110-I114 WeakPolarHBondContact O-CG1 3.5Å; L110-I114 PolarHBondContact O-N 3.06Å; I114-W116 VanDerWaalsContact C-N 3.28Å; I114-W116 PolarHBondContact O-N 3.15Å; I114-C117 PolarHBondContact O-N 3.29Å; I114-H118 WeakPolarHBondContact CG2-CE1 3.33Å; I114-H118 WeakPolarHBondContact CG2-NE2 3.49Å; I114-H118 VanDerWaalsContact O-CB 3.31Å; I114-H118 WeakPolarHBondContact O-CB 3.23Å; I114-H118 PolarHBondContact O-CD2 2.7Å; I114-H118 VanDerWaalsContact O-CG 3.29Å; I114-H118 PolarHBondContact O-N 3.05Å; I114-I127 HydrophobicContact CD1-CD1 3.48Å; I114-I127 VanDerWaalsContact CD1-CD1 3.48Å; I114-I127 HydrophobicContact CG1-CD1 3.66Å; I114-L142 HydrophobicContact CG1-CD2 4.49Å; I114-D184 HydrophobicContact CG2-CB 3.96Å; I114-M185 HydrophobicContact CG2-SD 4.17Å; I114-V188 HydrophobicContact CD1-CG2 3.2Å; I114-T279 HydrophobicContact CB-CG2 4.16Å; I114-T279 HydrophobicContact CG2-CG2 3.7Å
115N98.4Very high97.3Very high25 Ų2525.3 Ų25.313%0.13412%0.117CC..Hα-helixtrans-60.2-38.5174.8-163.335.6000111.9I111 K112 A113 K119 T279 L283I111-N115 VanDerWaalsContact O-CB 3.22Å; I111-N115 WeakPolarHBondContact O-CB 3.48Å; I111-N115 PolarHBondContact O-N 3.02Å; K112-N115 WeakPolarHBondContact O-CB 3.03Å; K112-N115 PolarHBondContact O-N 2.88Å; A113-N115 VanDerWaalsContact C-N 3.31Å; A113-N115 PolarHBondContact O-N 2.88Å; N115-K119 WeakPolarHBondContact O-CB 3.3Å; N115-K119 VanDerWaalsContact O-CG 3.3Å; N115-K119 WeakPolarHBondContact O-CG 3.35Å; N115-K119 PolarHBondContact O-N 3.48Å; N115-T279 HydrophobicContact CB-CG2 4.07Å; N115-T279 WeakPolarHBondContact OD1-CB 3.3Å; N115-T279 PolarHBondContact OD1-OG1 2.74Å; N115-L283 HydrophobicContact CB-CD1 4.05Å; N115-L283 WeakPolarHBondContact ND2-CD1 3.41Å
116W97.9Very high97Very high91 Ų9124.2 Ų24.235%0.34511%0.108SC..Hα-helixtrans-66.5-44.3174.9-177.1-114.8000111.9Q60 K112 A113 I114 K119 N120Q60-W116 VanDerWaalsContact CB-CD1 3.5Å; Q60-W116 HydrophobicContact CB-CD2 4.07Å; Q60-W116 HydrophobicContact CB-CG 3.8Å; Q60-W116 HydrophobicContact CG-CD2 4.43Å; Q60-W116 HydrophobicContact CG-CG 4.2Å; K112-W116 PolarHBondContact O-N 2.82Å; K112-W116 VanDerWaalsContact O-N 3.1Å; A113-W116 WeakPolarHBondContact O-CB 3.32Å; A113-W116 PolarHBondContact O-N 2.81Å; A113-W116 VanDerWaalsContact O-N 3.13Å; I114-W116 VanDerWaalsContact C-N 3.28Å; I114-W116 PolarHBondContact O-N 3.15Å; W116-K119 PolarHBondContact O-N 3.27Å; W116-N120 PolarHBondContact O-N 2.91Å; W116-N120 PolarHBondContact O-ND2 3.26Å
117C97.7Very high97Very high1 Ų124.3 Ų24.31%0.00711%0.109CC..Hα-helixtrans-58.7-48.8172.9-60.10000111.8A113 I114 K119 N120 E121 I122A113-C117 PolarHBondContact O-N 3.04Å; A113-C117 VanDerWaalsContact O-N 3.1Å; A113-C117 PolarHBondContact O-SG 3.04Å; I114-C117 PolarHBondContact O-N 3.29Å; C117-K119 VanDerWaalsContact C-N 3.32Å; C117-K119 PolarHBondContact O-N 3.01Å; C117-N120 CarbonylContact O-C 3.43Å; C117-N120 WeakPolarHBondContact O-CA 3.37Å; C117-N120 PolarHBondContact O-N 3.22Å; C117-E121 PolarHBondContact O-N 3.2Å; C117-I122 CarbonylContact C-O 3.18Å; C117-I122 WeakPolarHBondContact CB-O 3.43Å; C117-I122 PolarHBondContact O-N 2.95Å
118H97.3Very high96.9Very high4 Ų425.5 Ų25.52%0.01911%0.114CC..Hα-helixtrans-66.4-28.4-177.5-75.3-172.6000113.7I114 N120 E121 I122 K181 D184I114-H118 WeakPolarHBondContact CG2-CE1 3.33Å; I114-H118 WeakPolarHBondContact CG2-NE2 3.49Å; I114-H118 VanDerWaalsContact O-CB 3.31Å; I114-H118 WeakPolarHBondContact O-CB 3.23Å; I114-H118 PolarHBondContact O-CD2 2.7Å; I114-H118 VanDerWaalsContact O-CG 3.29Å; I114-H118 PolarHBondContact O-N 3.05Å; H118-N120 VanDerWaalsContact C-N 3.3Å; H118-E121 PolarHBondContact O-N 2.7Å; H118-I122 PolarHBondContact CD2-O 2.88Å; H118-K181 HydrophobicContact CB-CD 3.98Å; H118-K181 HydrophobicContact CB-CG 4.35Å; H118-K181 PolarHBondContact CE1-O 3.28Å; H118-K181 VanDerWaalsContact O-CE 3.31Å; H118-K181 WeakPolarHBondContact O-CE 3.24Å; H118-K181 PolarHBondContact O-NZ 3.23Å; H118-D184 IonicContact CD2-OD2 3.15Å; H118-D184 IonicContact CE1-OD2 3.34Å; H118-D184 IonicContact NE2-OD2 3.93Å; H118-D184 PolarHBondContact NE2-OD2 2.98Å
119K96.6Very high96.8Very high120 Ų12024.9 Ų24.952%0.52211%0.112SC..Hα-helixtrans-77.2-14.4171.7-73.8-174.8-178.9-155.10114N115 W116 C117 E280N115-K119 WeakPolarHBondContact O-CB 3.3Å; N115-K119 VanDerWaalsContact O-CG 3.3Å; N115-K119 WeakPolarHBondContact O-CG 3.35Å; N115-K119 PolarHBondContact O-N 3.48Å; W116-K119 PolarHBondContact O-N 3.27Å; C117-K119 VanDerWaalsContact C-N 3.32Å; C117-K119 PolarHBondContact O-N 3.01Å; K119-E280 WeakPolarHBondContact CE-OE1 3.06Å; K119-E280 IonicContact NZ-OE1 2.76Å; K119-E280 PolarHBondContact NZ-OE1 3.41Å
120N95.6Very high96.6Very high52 Ų5225.9 Ų25.928%0.27812%0.116SC..THydrogen-bonded Turntrans-100.317.3170.5-71.8-88.8000111.9T57 L58 W116 C117 H118 I122T57-N120 HydrophobicContact CG2-CB 4.35Å; T57-N120 WeakPolarHBondContact CG2-OD1 3.36Å; L58-N120 HydrophobicContact CD2-CB 3.89Å; W116-N120 PolarHBondContact O-N 2.91Å; W116-N120 PolarHBondContact O-ND2 3.26Å; C117-N120 CarbonylContact O-C 3.43Å; C117-N120 WeakPolarHBondContact O-CA 3.37Å; C117-N120 PolarHBondContact O-N 3.22Å; H118-N120 VanDerWaalsContact C-N 3.3Å; N120-I122 HydrophobicContact CB-CD1 4.26Å; N120-I122 PolarHBondContact O-N 3.47Å; N120-I122 VanDerWaalsContact O-N 3.09Å
121E94.8Very high96.4Very high75 Ų7526.4 Ų26.435%0.3512%0.119SC..THydrogen-bonded Turntrans54.918-174.2-61.2-51131.900116C117 H118 N150 L151 K181C117-E121 PolarHBondContact O-N 3.2Å; H118-E121 PolarHBondContact O-N 2.7Å; E121-N150 WeakPolarHBondContact CB-OD1 3.32Å; E121-N150 CarbonylContact O-C 3.57Å; E121-N150 WeakPolarHBondContact O-CA 3.29Å; E121-N150 PolarHBondContact O-OD1 3.3Å; E121-L151 HydrophobicContact CB-CB 4.48Å; E121-L151 PolarHBondContact O-N 3.03Å; E121-K181 IonicContact OE1-NZ 3.74Å; E121-K181 PolarHBondContact OE1-NZ 2.68Å; E121-K181 WeakPolarHBondContact OE2-CE 3.42Å; E121-K181 IonicContact OE2-NZ 2.71Å; E121-K181 PolarHBondContact OE2-NZ 2.76Å
122I94.6Very high96.4Very high8 Ų826.4 Ų26.44%0.04112%0.119CC..EExtended strand (participates in β ladder)trans-95.8124.5178.4-67159.9000109.9M54 L58 C117 H118 N120 F145 A148 R149M54-I122 HydrophobicContact CB-CD1 4.06Å; M54-I122 HydrophobicContact CE-CG1 4.43Å; M54-I122 HydrophobicContact CG-CD1 3.8Å; M54-I122 HydrophobicContact CG-CG1 4.21Å; M54-I122 HydrophobicContact SD-CG1 4.48Å; M54-I122 HydrophobicContact SD-CG2 4.02Å; L58-I122 HydrophobicContact CD1-CB 4.48Å; L58-I122 HydrophobicContact CD1-CD1 3.81Å; L58-I122 HydrophobicContact CD1-CG2 4.17Å; L58-I122 HydrophobicContact CD2-CD1 4.06Å; L58-I122 HydrophobicContact CG-CD1 3.89Å; C117-I122 CarbonylContact C-O 3.18Å; C117-I122 WeakPolarHBondContact CB-O 3.43Å; C117-I122 PolarHBondContact O-N 2.95Å; H118-I122 PolarHBondContact CD2-O 2.88Å; N120-I122 HydrophobicContact CB-CD1 4.26Å; N120-I122 PolarHBondContact O-N 3.47Å; N120-I122 VanDerWaalsContact O-N 3.09Å; I122-F145 HydrophobicContact CG2-CD1 4.42Å; I122-A148 HydrophobicContact CG2-CB 4.04Å; I122-R149 WeakPolarHBondContact CA-O 3.45Å
123V94.9Very high96.4Very high0 Ų025 Ų250%011%0.114CC..EExtended strand (participates in β ladder)trans-102.9137.8168.4-680000110.4R125 A148 R149 L151 Y179 K181 D184V123-R125 HydrophobicContact CB-CG 4.33Å; V123-R125 HydrophobicContact CG2-CG 3.94Å; V123-A148 CarbonylContact O-C 3.55Å; V123-A148 WeakPolarHBondContact O-CA 3.5Å; V123-A148 VanDerWaalsContact O-CB 3.3Å; V123-A148 WeakPolarHBondContact O-CB 3.18Å; V123-R149 HydrophobicContact CG2-CB 4.27Å; V123-R149 WeakPolarHBondContact CG2-O 3.35Å; V123-R149 PolarHBondContact N-O 3.43Å; V123-R149 PolarHBondContact O-N 2.85Å; V123-L151 HydrophobicContact CG1-CD1 3.95Å; V123-L151 HydrophobicContact CG1-CD2 4.15Å; V123-L151 HydrophobicContact CG1-CG 4.15Å; V123-L151 HydrophobicContact CG2-CD2 3.92Å; V123-L151 HydrophobicContact CG2-CG 4.42Å; V123-Y179 HydrophobicContact CG2-CE2 4.5Å; V123-K181 HydrophobicContact CG1-CG 4.04Å; V123-D184 WeakPolarHBondContact CA-OD2 3.31Å
124H95.2Very high96.4Very high1 Ų125 Ų251%0.00511%0.114CC..  trans-81.9-43.3-169.8-163.1-90.5000113D126 I127 C143 F145 F147 A148 D184H124-D126 PolarHBondContact CE1-O 3.48Å; H124-D126 PolarHBondContact ND1-O 3.49Å; H124-D126 PolarHBondContact O-N 3.46Å; H124-I127 HydrophobicContact CB-CD1 3.89Å; H124-I127 HydrophobicContact CB-CG1 3.65Å; H124-C143 PolarHBondContact CE1-O 2.99Å; H124-C143 VanDerWaalsContact CE1-O 3.24Å; H124-C143 PolarHBondContact NE2-O 3.08Å; H124-F145 AromaticContact CD2-CD1 3.66Å; H124-F145 AromaticContact CD2-CE1 3.47Å; H124-F145 VanDerWaalsContact CD2-CE1 3.47Å; H124-F145 WeakPolarHBondContact CD2-CE1 3.19Å; H124-F145 AromaticContact CD2-CZ 3.79Å; H124-F147 CarbonylContact O-C 3.59Å; H124-A148 WeakPolarHBondContact O-CA 3.49Å; H124-A148 PolarHBondContact O-N 3.25Å; H124-D184 WeakPolarHBondContact CB-OD1 3.47Å; H124-D184 PolarHBondContact N-OD1 2.99Å; H124-D184 VanDerWaalsContact N-OD1 3.13Å; H124-D184 PolarHBondContact N-OD2 3.26Å
125R93.6Very high96.3Very high21 Ų2125.8 Ų25.88%0.07912%0.12CC..SBendtrans66.5-9.7174.3-53.2166.570.3-118.84.3116.6V123 F147 Y179 V183 D184V123-R125 HydrophobicContact CB-CG 4.33Å; V123-R125 HydrophobicContact CG2-CG 3.94Å; R125-F147 PolarHBondContact NH1-O 3.35Å; R125-Y179 HydrophobicContact CG-CE2 4.48Å; R125-Y179 PolarHBondContact NH2-OH 3.48Å; R125-V183 HydrophobicContact CG-CG2 4.18Å; R125-D184 PolarHBondContact N-OD1 2.69Å
126D93.4Very high96.1Very high9 Ų928 Ų285%0.04814%0.138CC..  trans-13756.3176-170.351.9000111.1H124 K128 N131 F147H124-D126 PolarHBondContact CE1-O 3.48Å; H124-D126 PolarHBondContact ND1-O 3.49Å; H124-D126 PolarHBondContact O-N 3.46Å; D126-K128 IonicContact OD1-NZ 2.9Å; D126-K128 PolarHBondContact OD1-NZ 3.49Å; D126-K128 IonicContact OD2-NZ 2.6Å; D126-K128 PolarHBondContact OD2-NZ 2.92Å; D126-N131 PolarHBondContact O-ND2 3.19Å; D126-N131 PolarHBondContact OD2-ND2 3.24Å; D126-F147 HydrophobicContact CB-CB 3.62Å; D126-F147 HydrophobicContact CB-CD1 3.88Å; D126-F147 HydrophobicContact CB-CD2 3.64Å; D126-F147 HydrophobicContact CB-CE1 4.43Å; D126-F147 HydrophobicContact CB-CE2 4.25Å; D126-F147 HydrophobicContact CB-CG 3.44Å; D126-F147 VanDerWaalsContact CB-CG 3.44Å; D126-F147 WeakPolarHBondContact OD2-CD2 3.25Å; D126-F147 WeakPolarHBondContact OD2-CE2 3.26Å
127I97.5Very high96Very high2 Ų229.8 Ų29.81%0.0115%0.154CC..  trans-87.8123174.2-52.6-174.7000108.6L110 I114 H124 L132 L142 Y168 D184 I191L110-I127 HydrophobicContact CD1-CG2 4.21Å; I114-I127 HydrophobicContact CD1-CD1 3.48Å; I114-I127 VanDerWaalsContact CD1-CD1 3.48Å; I114-I127 HydrophobicContact CG1-CD1 3.66Å; H124-I127 HydrophobicContact CB-CD1 3.89Å; H124-I127 HydrophobicContact CB-CG1 3.65Å; I127-L132 HydrophobicContact CG2-CD2 4.3Å; I127-L142 HydrophobicContact CG1-CD1 4.41Å; I127-L142 HydrophobicContact CG2-CD1 4.49Å; I127-Y168 VanDerWaalsContact O-CB 3.28Å; I127-Y168 WeakPolarHBondContact O-CB 3.45Å; I127-D184 HydrophobicContact CD1-CB 3.69Å; I127-I191 HydrophobicContact CG2-CD1 3.8Å
128K96.4Very high95.9Very high25 Ų2531.9 Ų31.911%0.10917%0.165CC..  trans-161.5159.6-173.959.7179-164.9-107.20110.2D126 E130 N131 L132 Y168D126-K128 IonicContact OD1-NZ 2.9Å; D126-K128 PolarHBondContact OD1-NZ 3.49Å; D126-K128 IonicContact OD2-NZ 2.6Å; D126-K128 PolarHBondContact OD2-NZ 2.92Å; K128-E130 WeakPolarHBondContact CB-OE2 3.34Å; K128-E130 WeakPolarHBondContact CD-OE2 3.5Å; K128-E130 WeakPolarHBondContact CG-OE2 3.43Å; K128-E130 PolarHBondContact O-N 2.92Å; K128-E130 VanDerWaalsContact O-N 3.12Å; K128-N131 WeakPolarHBondContact CE-OD1 3.44Å; K128-N131 HydrophobicContact CG-CB 4.02Å; K128-N131 PolarHBondContact NZ-ND2 3.12Å; K128-N131 PolarHBondContact NZ-OD1 3.34Å; K128-N131 PolarHBondContact O-N 2.88Å; K128-L132 PolarHBondContact O-N 3.02Å; K128-Y168 HydrophobicContact CB-CD2 3.36Å; K128-Y168 HydrophobicContact CB-CE2 3.6Å; K128-Y168 HydrophobicContact CB-CG 4Å
129P97.1Very high95.9Very high0 Ų034 Ų340%018%0.178CC..G310 helixtrans-56.4-28.5-175.4-28.336.8000115.7M87 L88 L91 N131 L132 Y168M87-P129 HydrophobicContact CB-CB 4.11Å; M87-P129 WeakPolarHBondContact CB-O 3.3Å; M87-P129 HydrophobicContact CG-CB 4.24Å; M87-P129 PolarHBondContact N-O 3.27Å; L88-P129 HydrophobicContact CB-CB 4.1Å; L88-P129 PolarHBondContact N-O 2.9Å; L91-P129 HydrophobicContact CD1-CB 3.97Å; L91-P129 HydrophobicContact CD1-CG 3.96Å; P129-N131 VanDerWaalsContact C-N 3.3Å; P129-N131 PolarHBondContact O-N 2.99Å; P129-L132 PolarHBondContact O-N 2.87Å; P129-Y168 VanDerWaalsContact CD-OH 3.32Å; P129-Y168 WeakPolarHBondContact CD-OH 3.16Å; P129-Y168 HydrophobicContact CG-CE1 4.13Å
130E93.9Very high96Very high46 Ų4628.2 Ų28.222%0.21515%0.153CC..G310 helixtrans-69.1-28.8175.3-52.595.7139.700112.7L88 K128L88-E130 HydrophobicContact CB-CG 4.38Å; L88-E130 HydrophobicContact CD2-CG 3.96Å; K128-E130 WeakPolarHBondContact CB-OE2 3.34Å; K128-E130 WeakPolarHBondContact CD-OE2 3.5Å; K128-E130 WeakPolarHBondContact CG-OE2 3.43Å; K128-E130 PolarHBondContact O-N 2.92Å; K128-E130 VanDerWaalsContact O-N 3.12Å
131N95.9Very high96.2Very high11 Ų1127.1 Ų27.16%0.05915%0.145CC..G310 helixtrans-94.78.1-177.5-70.43.2000112.6D126 K128 P129 C143D126-N131 PolarHBondContact O-ND2 3.19Å; D126-N131 PolarHBondContact OD2-ND2 3.24Å; K128-N131 WeakPolarHBondContact CE-OD1 3.44Å; K128-N131 HydrophobicContact CG-CB 4.02Å; K128-N131 PolarHBondContact NZ-ND2 3.12Å; K128-N131 PolarHBondContact NZ-OD1 3.34Å; K128-N131 PolarHBondContact O-N 2.88Å; P129-N131 VanDerWaalsContact C-N 3.3Å; P129-N131 PolarHBondContact O-N 2.99Å; N131-C143 PolarHBondContact O-N 3.05Å; N131-C143 PolarHBondContact O-SG 3.13Å; N131-C143 VanDerWaalsContact O-SG 3.34Å
132L98.2Very high96.3Very high0 Ų023.5 Ų23.50%013%0.129CC..EExtended strand (participates in β ladder)trans-114.9102.5177.8-63.8-176.7000109.6N86 M87 L110 I127 K128 P129 L140 L142 I191N86-L132 CarbonylContact C-O 3.57Å; N86-L132 VanDerWaalsContact CA-O 3.26Å; N86-L132 WeakPolarHBondContact CA-O 3.47Å; M87-L132 HydrophobicContact CB-CB 3.89Å; M87-L132 HydrophobicContact CE-CB 4.3Å; M87-L132 HydrophobicContact CE-CD1 3.87Å; M87-L132 PolarHBondContact N-O 3.49Å; M87-L132 HydrophobicContact SD-CB 4.42Å; M87-L132 HydrophobicContact SD-CD1 3.67Å; L110-L132 HydrophobicContact CD1-CD1 4.26Å; L110-L132 HydrophobicContact CD1-CD2 3.55Å; L110-L132 HydrophobicContact CD2-CD1 3.81Å; I127-L132 HydrophobicContact CG2-CD2 4.3Å; K128-L132 PolarHBondContact O-N 3.02Å; P129-L132 PolarHBondContact O-N 2.87Å; L132-L140 HydrophobicContact CD2-CD2 4.4Å; L132-L142 HydrophobicContact CD2-CD1 3.69Å; L132-I191 HydrophobicContact CD1-CD1 3.91Å; L132-I191 HydrophobicContact CD1-CG2 4.2Å
133L98.3Very high96.4Very high32 Ų3224 Ų2417%0.16813%0.133CC..EExtended strand (participates in β ladder)trans-85.1146.5179.6-49.8179.8000110.1V64 V83 N86 L140 K141 C143V64-L133 HydrophobicContact CB-CD1 4.46Å; V64-L133 HydrophobicContact CG2-CD1 4.14Å; V83-L133 HydrophobicContact CB-CB 3.78Å; V83-L133 HydrophobicContact CB-CD1 4.05Å; V83-L133 HydrophobicContact CB-CG 4.47Å; V83-L133 HydrophobicContact CG1-CB 3.72Å; V83-L133 HydrophobicContact CG2-CB 4.07Å; V83-L133 HydrophobicContact CG2-CD1 3.94Å; N86-L133 HydrophobicContact CB-CD2 4.18Å; L133-L140 CarbonylContact O-C 3.59Å; L133-L140 WeakPolarHBondContact O-CA 3.34Å; L133-K141 HydrophobicContact CB-CB 4.26Å; L133-K141 WeakPolarHBondContact CB-O 3.44Å; L133-K141 PolarHBondContact N-O 3.5Å; L133-K141 PolarHBondContact O-N 2.93Å; L133-C143 HydrophobicContact CD1-CB 4.01Å; L133-C143 HydrophobicContact CG-CB 4.31Å
134I98Very high96.1Very high0 Ų025.8 Ų25.80%014%0.142CC..EExtended strand (participates in β ladder)trans-136126.9-179.6-50.8177.8000109.1V83 R85 M87 L90 Y106 V139V83-I134 VanDerWaalsContact CG1-C 3.41Å; V83-I134 WeakPolarHBondContact CG1-O 3.45Å; R85-I134 HydrophobicContact CG-CB 4.32Å; R85-I134 WeakPolarHBondContact CG-O 3.33Å; R85-I134 PolarHBondContact O-N 3.15Å; M87-I134 HydrophobicContact CB-CD1 4.09Å; M87-I134 HydrophobicContact CE-CD1 4.12Å; M87-I134 HydrophobicContact CG-CD1 4.42Å; L90-I134 HydrophobicContact CB-CD1 4.45Å; L90-I134 HydrophobicContact CD2-CD1 3.85Å; Y106-I134 HydrophobicContact CD1-CD1 4.4Å; Y106-I134 HydrophobicContact CE1-CD1 4.18Å; Y106-I134 HydrophobicContact CE1-CG2 3.83Å; Y106-I134 HydrophobicContact CE2-CD1 4.38Å; I134-V139 WeakPolarHBondContact CA-O 3.29Å
135S96.8Very high96Very high19 Ų1925.7 Ų25.713%0.13314%0.142CC..  trans-75.7176.7177.268.90000113.4R85 D137 D138 V139R85-S135 PolarHBondContact NH2-O 3.32Å; S135-D137 PolarHBondContact O-N 3.08Å; S135-D137 PolarHBondContact OG-N 3.02Å; S135-D137 VanDerWaalsContact OG-N 3.15Å; S135-D138 PolarHBondContact O-N 3.49Å; S135-V139 PolarHBondContact N-O 3.43Å; S135-V139 WeakPolarHBondContact OG-CB 3.27Å; S135-V139 PolarHBondContact OG-N 2.98Å; S135-V139 VanDerWaalsContact OG-N 3.11Å
136S94.4Very high95.6Very high72 Ų7224.9 Ų24.950%0.50314%0.14SC..THydrogen-bonded Turntrans-48.3-41.816149.50000112.1E84 D138E84-S136 WeakPolarHBondContact OE2-CA 3.45Å; E84-S136 WeakPolarHBondContact OE2-CB 3.43Å; E84-S136 PolarHBondContact OE2-N 3.4Å; S136-D138 PolarHBondContact O-N 2.94Å
137D95.6Very high95.3Very high128 Ų12824.9 Ų24.968%0.68414%0.14SC*.THydrogen-bonded Turntrans-89.617.4-169.1-41.7-28.7000112.4S135 V139S135-D137 PolarHBondContact O-N 3.08Å; S135-D137 PolarHBondContact OG-N 3.02Å; S135-D137 VanDerWaalsContact OG-N 3.15Å; D137-V139 HydrophobicContact CB-CG2 4.34Å; D137-V139 PolarHBondContact O-N 2.95Å; D137-V139 VanDerWaalsContact O-N 3.16Å
138D96.1Very high95Very high44 Ų4424.8 Ų24.824%0.23514%0.139CC..  trans54.524.3-173.8-74.2-21.8000114.9R85 K102 Y106 Q109 S135 S136R85-D138 IonicContact NH2-OD1 3.85Å; R85-D138 PolarHBondContact NH2-OD1 2.9Å; K102-D138 IonicContact NZ-OD1 3.58Å; K102-D138 PolarHBondContact NZ-OD1 2.83Å; K102-D138 IonicContact NZ-OD2 3.53Å; K102-D138 PolarHBondContact NZ-OD2 3.24Å; Y106-D138 HydrophobicContact CE1-CB 3.96Å; Y106-D138 PolarHBondContact OH-OD1 3.35Å; Q109-D138 PolarHBondContact NE2-O 3.4Å; S135-D138 PolarHBondContact O-N 3.49Å; S136-D138 PolarHBondContact O-N 2.94Å
139V97.6Very high94.7Very high48 Ų4824.7 Ų24.729%0.29114%0.138SC..  trans-79.6120.7172.1-177.10000109.3I134 S135 D137I134-V139 WeakPolarHBondContact CA-O 3.29Å; S135-V139 PolarHBondContact N-O 3.43Å; S135-V139 WeakPolarHBondContact OG-CB 3.27Å; S135-V139 PolarHBondContact OG-N 2.98Å; S135-V139 VanDerWaalsContact OG-N 3.11Å; D137-V139 HydrophobicContact CB-CG2 4.34Å; D137-V139 PolarHBondContact O-N 2.95Å; D137-V139 VanDerWaalsContact O-N 3.16Å
140L98.5Very high94.3Very high0 Ų026 Ų260%015%0.145CC..EExtended strand (participates in β ladder)trans-88.1135.9177.5178.6150000111.1N62 M87 Q109 L110 L132 L133N62-L140 VanDerWaalsContact CA-O 3.29Å; N62-L140 WeakPolarHBondContact CA-O 3.38Å; N62-L140 WeakPolarHBondContact CB-O 3.21Å; N62-L140 PolarHBondContact ND2-O 2.93Å; M87-L140 HydrophobicContact CE-CD1 3.49Å; M87-L140 VanDerWaalsContact CE-CD1 3.49Å; Q109-L140 HydrophobicContact CB-CB 3.98Å; Q109-L140 HydrophobicContact CB-CD2 4.47Å; L110-L140 HydrophobicContact CB-CD1 4.34Å; L110-L140 HydrophobicContact CB-CD2 4.08Å; L110-L140 HydrophobicContact CD1-CD2 4.37Å; L132-L140 HydrophobicContact CD2-CD2 4.4Å; L133-L140 CarbonylContact O-C 3.59Å; L133-L140 WeakPolarHBondContact O-CA 3.34Å
141K98.5Very high94Very high28 Ų2826.6 Ų26.612%0.12215%0.149CC..EExtended strand (participates in β ladder)trans-131.1124.6178.8-78.2166.4172.3-70.60111.7D61 N62 I63 E81 V83 L133D61-K141 WeakPolarHBondContact O-CE 3.41Å; D61-K141 VanDerWaalsContact O-CG 3.3Å; D61-K141 WeakPolarHBondContact O-CG 3.41Å; D61-K141 PolarHBondContact O-NZ 2.97Å; N62-K141 CarbonylContact O-C 3.56Å; N62-K141 WeakPolarHBondContact O-CA 3.46Å; I63-K141 PolarHBondContact O-NZ 2.94Å; E81-K141 VanDerWaalsContact CD-NZ 3.3Å; E81-K141 WeakPolarHBondContact OE1-CD 3.36Å; E81-K141 WeakPolarHBondContact OE1-CE 3.43Å; E81-K141 IonicContact OE1-NZ 3.06Å; E81-K141 PolarHBondContact OE1-NZ 3.23Å; E81-K141 WeakPolarHBondContact OE2-CE 3.5Å; E81-K141 IonicContact OE2-NZ 2.65Å; E81-K141 PolarHBondContact OE2-NZ 2.95Å; E81-K141 VanDerWaalsContact OE2-NZ 3.13Å; V83-K141 HydrophobicContact CG2-CD 3.75Å; L133-K141 HydrophobicContact CB-CB 4.26Å; L133-K141 WeakPolarHBondContact CB-O 3.44Å; L133-K141 PolarHBondContact N-O 3.5Å; L133-K141 PolarHBondContact O-N 2.93Å
142L98.4Very high93.3Very high0 Ų030.4 Ų30.40%018%0.177CC..EExtended strand (participates in β ladder)trans-80.2137.6175.5178.962.5000111.4N62 I63 V64 A113 I114 I127 L132 F145N62-L142 PolarHBondContact O-N 3.29Å; I63-L142 HydrophobicContact CD1-CB 4.29Å; I63-L142 HydrophobicContact CD1-CD2 4.46Å; V64-L142 PolarHBondContact N-O 3.09Å; A113-L142 HydrophobicContact CB-CB 4.19Å; A113-L142 HydrophobicContact CB-CD2 4.48Å; I114-L142 HydrophobicContact CG1-CD2 4.49Å; I127-L142 HydrophobicContact CG1-CD1 4.41Å; I127-L142 HydrophobicContact CG2-CD1 4.49Å; L132-L142 HydrophobicContact CD2-CD1 3.69Å; L142-F145 HydrophobicContact CD2-CZ 4.18Å; L142-F145 HydrophobicContact CG-CZ 4.26Å
143C95.3Very high92.1Very high19 Ų1934.2 Ų34.213%0.12820%0.195CC..  trans-140.5174179.773.90000114.3V64 H124 N131 L133V64-C143 HydrophobicContact CB-CB 4.06Å; V64-C143 HydrophobicContact CG1-CB 3.55Å; H124-C143 PolarHBondContact CE1-O 2.99Å; H124-C143 VanDerWaalsContact CE1-O 3.24Å; H124-C143 PolarHBondContact NE2-O 3.08Å; N131-C143 PolarHBondContact O-N 3.05Å; N131-C143 PolarHBondContact O-SG 3.13Å; N131-C143 VanDerWaalsContact O-SG 3.34Å; L133-C143 HydrophobicContact CD1-CB 4.01Å; L133-C143 HydrophobicContact CG-CB 4.31Å
144D90.3Very high90.2Very high36 Ų3634.7 Ų34.719%0.19321%0.207CC..  trans69.261.2177.8-154.531.6000117.2K33 G146K33-D144 IonicContact NZ-OD1 2.83Å; K33-D144 PolarHBondContact NZ-OD1 2.98Å; D144-G146 PolarHBondContact O-N 2.82Å
145F91.8Very high88.1Confident0 Ų039.4 Ų39.40%024%0.236CC..G310 helixtrans-71.411.7-179.1-72.5-96.2000115.8E51 L55 L58 I63 I122 H124 L142 F147 A148E51-F145 HydrophobicContact CG-CB 4.08Å; L55-F145 HydrophobicContact CD2-CD2 3.68Å; L55-F145 HydrophobicContact CD2-CE2 4.16Å; L55-F145 HydrophobicContact CD2-CG 4.45Å; L55-F145 HydrophobicContact CG-CD2 4.38Å; L58-F145 HydrophobicContact CD1-CD1 3.81Å; L58-F145 HydrophobicContact CD1-CE1 3.23Å; L58-F145 HydrophobicContact CD1-CZ 3.75Å; I63-F145 HydrophobicContact CD1-CZ 4.32Å; I63-F145 HydrophobicContact CG2-CE2 3.83Å; I63-F145 HydrophobicContact CG2-CZ 3.96Å; I122-F145 HydrophobicContact CG2-CD1 4.42Å; H124-F145 AromaticContact CD2-CD1 3.66Å; H124-F145 AromaticContact CD2-CE1 3.47Å; H124-F145 VanDerWaalsContact CD2-CE1 3.47Å; H124-F145 WeakPolarHBondContact CD2-CE1 3.19Å; H124-F145 AromaticContact CD2-CZ 3.79Å; L142-F145 HydrophobicContact CD2-CZ 4.18Å; L142-F145 HydrophobicContact CG-CZ 4.26Å; F145-F147 PolarHBondContact O-N 3.1Å; F145-A148 HydrophobicContact CB-CB 4.15Å; F145-A148 HydrophobicContact CD1-CB 3.87Å; F145-A148 HydrophobicContact CG-CB 4.49Å; F145-A148 VanDerWaalsContact O-CB 3.29Å; F145-A148 WeakPolarHBondContact O-CB 3.37Å; F145-A148 PolarHBondContact O-N 3.4Å
146G86.8Confident85.7Confident4 Ų446 Ų464%0.04127%0.27CS..G310 helixtrans-61.4-31-179.500000113.8T47 D144 R149T47-G146 WeakPolarHBondContact CG2-O 3.42Å; D144-G146 PolarHBondContact O-N 2.82Å; G146-R149 PolarHBondContact O-NH1 3.32Å
147F87.1Confident83.7Confident9 Ų944.2 Ų44.24%0.03926%0.259CS..G310 helixtrans-82.1-16.9176.5-69.1-105.1000113.4Y15 H124 R125 D126 F145 R149 Y162Y15-F147 HydrophobicContact CE2-CE2 4.04Å; Y15-F147 HydrophobicContact CE2-CZ 4.42Å; Y15-F147 WeakPolarHBondContact OH-CZ 3.31Å; H124-F147 CarbonylContact O-C 3.59Å; R125-F147 PolarHBondContact NH1-O 3.35Å; D126-F147 HydrophobicContact CB-CB 3.62Å; D126-F147 HydrophobicContact CB-CD1 3.88Å; D126-F147 HydrophobicContact CB-CD2 3.64Å; D126-F147 HydrophobicContact CB-CE1 4.43Å; D126-F147 HydrophobicContact CB-CE2 4.25Å; D126-F147 HydrophobicContact CB-CG 3.44Å; D126-F147 VanDerWaalsContact CB-CG 3.44Å; D126-F147 WeakPolarHBondContact OD2-CD2 3.25Å; D126-F147 WeakPolarHBondContact OD2-CE2 3.26Å; F145-F147 PolarHBondContact O-N 3.1Å; F147-R149 PolarHBondContact O-NH1 2.98Å; F147-Y162 HydrophobicContact CD1-CD2 4.17Å; F147-Y162 HydrophobicContact CD1-CE1 4.3Å; F147-Y162 AromaticContact CD1-CE2 3.64Å; F147-Y162 HydrophobicContact CD1-CE2 3.64Å; F147-Y162 AromaticContact CD1-CZ 3.73Å; F147-Y162 AromaticContact CE1-CD1 3.63Å; F147-Y162 HydrophobicContact CE1-CD1 3.63Å; F147-Y162 AromaticContact CE1-CD2 3.73Å; F147-Y162 HydrophobicContact CE1-CD2 3.73Å; F147-Y162 AromaticContact CE1-CE1 3.31Å; F147-Y162 HydrophobicContact CE1-CE1 3.31Å; F147-Y162 AromaticContact CE1-CE2 3.39Å; F147-Y162 HydrophobicContact CE1-CE2 3.39Å; F147-Y162 AromaticContact CE1-CG 3.86Å; F147-Y162 HydrophobicContact CE1-CG 3.86Å; F147-Y162 AromaticContact CE1-CZ 3.18Å; F147-Y162 HydrophobicContact CZ-CD1 4Å; F147-Y162 AromaticContact CZ-CE1 3.5Å; F147-Y162 HydrophobicContact CZ-CE1 3.5Å; F147-Y162 VanDerWaalsContact CZ-CE1 3.5Å; F147-Y162 HydrophobicContact CZ-CE2 4.34Å; F147-Y162 AromaticContact CZ-CZ 3.7Å
148A90.8Very high81.4Confident0 Ų045.1 Ų45.10%026%0.264CS..  trans-69151.7-167.800000112.3M54 I122 V123 H124 F145M54-A148 HydrophobicContact SD-CB 3.59Å; M54-A148 VanDerWaalsContact SD-CB 3.59Å; I122-A148 HydrophobicContact CG2-CB 4.04Å; V123-A148 CarbonylContact O-C 3.55Å; V123-A148 WeakPolarHBondContact O-CA 3.5Å; V123-A148 VanDerWaalsContact O-CB 3.3Å; V123-A148 WeakPolarHBondContact O-CB 3.18Å; H124-A148 WeakPolarHBondContact O-CA 3.49Å; H124-A148 PolarHBondContact O-N 3.25Å; F145-A148 HydrophobicContact CB-CB 4.15Å; F145-A148 HydrophobicContact CD1-CB 3.87Å; F145-A148 HydrophobicContact CG-CB 4.49Å; F145-A148 VanDerWaalsContact O-CB 3.29Å; F145-A148 WeakPolarHBondContact O-CB 3.37Å; F145-A148 PolarHBondContact O-N 3.4Å
149R89.5Confident79.2Confident23 Ų2345.9 Ų45.99%0.08726%0.264CS..EExtended strand (participates in β ladder)trans-136.7140.6-178-64.5-63.5179-96.511.9109.8I122 V123 G146 F147I122-R149 WeakPolarHBondContact CA-O 3.45Å; V123-R149 HydrophobicContact CG2-CB 4.27Å; V123-R149 WeakPolarHBondContact CG2-O 3.35Å; V123-R149 PolarHBondContact N-O 3.43Å; V123-R149 PolarHBondContact O-N 2.85Å; G146-R149 PolarHBondContact O-NH1 3.32Å; F147-R149 PolarHBondContact O-NH1 2.98Å
150N89.8Confident77.1Confident28 Ų2846.8 Ų46.815%0.1527%0.27CS..EExtended strand (participates in β ladder)trans-87.7124.3170.41748.5000108.2M54 E121 S152 E153M54-N150 HydrophobicContact CE-CB 4.16Å; E121-N150 WeakPolarHBondContact CB-OD1 3.32Å; E121-N150 CarbonylContact O-C 3.57Å; E121-N150 WeakPolarHBondContact O-CA 3.29Å; E121-N150 PolarHBondContact O-OD1 3.3Å; N150-S152 PolarHBondContact ND2-OG 3.44Å; N150-S152 PolarHBondContact O-N 3.19Å; N150-S152 WeakPolarHBondContact OD1-CB 3.22Å; N150-S152 PolarHBondContact OD1-N 2.97Å; N150-S152 PolarHBondContact OD1-OG 3.06Å; N150-E153 HydrophobicContact CB-CG 3.96Å; N150-E153 PolarHBondContact O-N 2.71Å; N150-E153 VanDerWaalsContact O-N 3.11Å
151L86.6Confident74.9Confident57 Ų5754.2 Ų54.230%0.29831%0.305SS..G310 helixtrans-65.3-22.9-179.4-60.6176.1000112.4E121 V123 E153 K181E121-L151 HydrophobicContact CB-CB 4.48Å; E121-L151 PolarHBondContact O-N 3.03Å; V123-L151 HydrophobicContact CG1-CD1 3.95Å; V123-L151 HydrophobicContact CG1-CD2 4.15Å; V123-L151 HydrophobicContact CG1-CG 4.15Å; V123-L151 HydrophobicContact CG2-CD2 3.92Å; V123-L151 HydrophobicContact CG2-CG 4.42Å; L151-E153 PolarHBondContact O-N 3.37Å; L151-K181 HydrophobicContact CD1-CD 4.42Å; L151-K181 HydrophobicContact CD1-CG 3.83Å
152S81.3Confident72.9Confident92 Ų9254.7 Ų54.764%0.64331%0.306SS*.G310 helixtrans-76.1-5.417595.60000114.3N150N150-S152 PolarHBondContact ND2-OG 3.44Å; N150-S152 PolarHBondContact O-N 3.19Å; N150-S152 WeakPolarHBondContact OD1-CB 3.22Å; N150-S152 PolarHBondContact OD1-N 2.97Å; N150-S152 PolarHBondContact OD1-OG 3.06Å
153E73Confident70.7Confident79 Ų7962 Ų6237%0.36935%0.35SS..G310 helixtrans-91.81.2-179.5-69.5174.4176.900113.2R50 K53 N150 L151R50-E153 IonicContact NH1-OE2 2.69Å; R50-E153 PolarHBondContact NH1-OE2 2.9Å; K53-E153 IonicContact NZ-OE1 2.78Å; K53-E153 PolarHBondContact NZ-OE1 2.9Å; N150-E153 HydrophobicContact CB-CG 3.96Å; N150-E153 PolarHBondContact O-N 2.71Å; N150-E153 VanDerWaalsContact O-N 3.11Å; L151-E153 PolarHBondContact O-N 3.37Å
154G57.6Low69.2Low42 Ų4262.5 Ų62.543%0.43336%0.356SS..  trans95.7149.7173.700000114.7D156G154-D156 VanDerWaalsContact C-N 3.29Å; G154-D156 PolarHBondContact O-N 3.34Å
155T54.2Low68.8Low100 Ų10062.9 Ų62.961%0.61336%0.359SS*.THydrogen-bonded Turntrans-75.8-13.4-172.7-30.90000113.9A157 P178T155-A157 PolarHBondContact O-N 3.2Å; T155-P178 HydrophobicContact CG2-CB 4.43Å
156D47.7Very low68.8Low157 Ų15765.6 Ų65.684%0.8437%0.37SS*.THydrogen-bonded Turntrans-73.16.6-175.5-60-32.6000114.1G154 N158G154-D156 VanDerWaalsContact C-N 3.29Å; G154-D156 PolarHBondContact O-N 3.34Å; D156-N158 VanDerWaalsContact C-N 3.31Å; D156-N158 PolarHBondContact O-N 3.11Å
157A51.1Low69.3Low34 Ų3468.5 Ų68.528%0.28138%0.379SS..  trans-68.885.5173.200000111.1T155T155-A157 PolarHBondContact O-N 3.2Å
158N46.8Very low69.8Low147 Ų14768.5 Ų68.579%0.78638%0.379SS*.  trans-34.2134.9176.7-83.9-19.7000113.3D156 T160D156-N158 VanDerWaalsContact C-N 3.31Å; D156-N158 PolarHBondContact O-N 3.11Å; N158-T160 PolarHBondContact O-N 2.94Å
159Y51.6Low70Confident60 Ų6069.9 Ų69.924%0.23538%0.384CS..  trans-61.699173.6-60.9-89.3000110E161 G176 A177 Y179Y159-E161 PolarHBondContact O-N 3.38Å; Y159-E161 VanDerWaalsContact O-N 3.12Å; Y159-G176 WeakPolarHBondContact CE2-O 3.48Å; Y159-G176 PolarHBondContact OH-O 3.49Å; Y159-A177 PolarHBondContact OH-O 2.85Å; Y159-Y179 HydrophobicContact CD1-CE1 4.29Å; Y159-Y179 AromaticContact CE1-CD1 3.54Å; Y159-Y179 HydrophobicContact CE1-CD1 3.54Å; Y159-Y179 AromaticContact CE1-CE1 3.52Å; Y159-Y179 HydrophobicContact CE1-CE1 3.52Å; Y159-Y179 AromaticContact CZ-CD1 3.88Å; Y159-Y179 AromaticContact CZ-CE1 3.84Å; Y159-Y179 WeakPolarHBondContact OH-CD1 3.47Å
160T53.7Low70.4Confident67 Ų6768.8 Ų68.841%0.41138%0.381SS..  trans-55.2116.8167.67.60000108N158 Y162N158-T160 PolarHBondContact O-N 2.94Å; T160-Y162 VanDerWaalsContact O-CD2 3.22Å; T160-Y162 WeakPolarHBondContact O-CD2 3.21Å
161E50.6Low70.7Confident156 Ų15667.5 Ų67.573%0.72937%0.374SS*.  trans-69.7131.8177-168.1170.6152.800108.6Y159Y159-E161 PolarHBondContact O-N 3.38Å; Y159-E161 VanDerWaalsContact O-N 3.12Å
162Y58.3Low71Confident39 Ų3965 Ų6515%0.15336%0.36CS..  trans-129.4122.6-161-104.7-60.7000114.5Y15 F147 T160 A164 R166Y15-Y162 VanDerWaalsContact OH-CE1 3.23Å; Y15-Y162 WeakPolarHBondContact OH-CE1 3.23Å; Y15-Y162 PolarHBondContact OH-OH 2.84Å; F147-Y162 HydrophobicContact CD1-CD2 4.17Å; F147-Y162 HydrophobicContact CD1-CE1 4.3Å; F147-Y162 AromaticContact CD1-CE2 3.64Å; F147-Y162 HydrophobicContact CD1-CE2 3.64Å; F147-Y162 AromaticContact CD1-CZ 3.73Å; F147-Y162 AromaticContact CE1-CD1 3.63Å; F147-Y162 HydrophobicContact CE1-CD1 3.63Å; F147-Y162 AromaticContact CE1-CD2 3.73Å; F147-Y162 HydrophobicContact CE1-CD2 3.73Å; F147-Y162 AromaticContact CE1-CE1 3.31Å; F147-Y162 HydrophobicContact CE1-CE1 3.31Å; F147-Y162 AromaticContact CE1-CE2 3.39Å; F147-Y162 HydrophobicContact CE1-CE2 3.39Å; F147-Y162 AromaticContact CE1-CG 3.86Å; F147-Y162 HydrophobicContact CE1-CG 3.86Å; F147-Y162 AromaticContact CE1-CZ 3.18Å; F147-Y162 HydrophobicContact CZ-CD1 4Å; F147-Y162 AromaticContact CZ-CE1 3.5Å; F147-Y162 HydrophobicContact CZ-CE1 3.5Å; F147-Y162 VanDerWaalsContact CZ-CE1 3.5Å; F147-Y162 HydrophobicContact CZ-CE2 4.34Å; F147-Y162 AromaticContact CZ-CZ 3.7Å; T160-Y162 VanDerWaalsContact O-CD2 3.22Å; T160-Y162 WeakPolarHBondContact O-CD2 3.21Å; Y162-A164 HydrophobicContact CD1-CB 4.26Å; Y162-A164 PolarHBondContact O-N 3.39Å; Y162-R166 VanDerWaalsContact O-CZ 3.27Å; Y162-R166 PolarHBondContact O-NH1 2.66Å; Y162-R166 PolarHBondContact O-NH2 3.11Å
163V51.3Low71.5Confident153 Ų15361.6 Ų61.693%0.92734%0.335SS*.  trans-88.640.7176.4-157.60000111.2
164A64.6Low72.4Confident30 Ų3058 Ų5825%0.24832%0.318CS..SBendtrans-119.8167.1-174.300000112Y162 R166Y162-A164 HydrophobicContact CD1-CB 4.26Å; Y162-A164 PolarHBondContact O-N 3.39Å; A164-R166 WeakPolarHBondContact O-CG 3.41Å; A164-R166 PolarHBondContact O-N 2.81Å
165T80.4Confident74Confident43 Ų4356.1 Ų56.126%0.26430%0.298SS..  trans-52.2129.4177.1-48.10000111.4W167 Y168T165-W167 HydrophobicContact CG2-CB 4.34Å; T165-W167 HydrophobicContact CG2-CD2 3.89Å; T165-W167 HydrophobicContact CG2-CE3 4.18Å; T165-W167 HydrophobicContact CG2-CG 3.95Å; T165-Y168 HydrophobicContact CG2-CE2 4.17Å
166R92.4Very high75.6Confident57 Ų5752.3 Ų52.322%0.21528%0.278CS..  trans-102.3-10.3-173-70.5177166.487.4-11.5114.6Y162 A164 Y168 R169 E207 Q210Y162-R166 VanDerWaalsContact O-CZ 3.27Å; Y162-R166 PolarHBondContact O-NH1 2.66Å; Y162-R166 PolarHBondContact O-NH2 3.11Å; A164-R166 WeakPolarHBondContact O-CG 3.41Å; A164-R166 PolarHBondContact O-N 2.81Å; R166-Y168 VanDerWaalsContact C-N 3.26Å; R166-Y168 PolarHBondContact O-N 2.92Å; R166-Y168 VanDerWaalsContact O-N 3.12Å; R166-R169 WeakPolarHBondContact O-CB 3.42Å; R166-R169 PolarHBondContact O-N 2.82Å; R166-E207 IonicContact CZ-OE1 2.71Å; R166-E207 VanDerWaalsContact CZ-OE1 3.26Å; R166-E207 IonicContact NE-OE1 3.69Å; R166-E207 PolarHBondContact NE-OE1 3.34Å; R166-E207 IonicContact NH2-OE1 2.66Å; R166-E207 PolarHBondContact NH2-OE1 3.08Å; R166-Q210 HydrophobicContact CB-CG 4.3Å
167W96.8Very high77.5Confident65 Ų6545 Ų4525%0.24624%0.24CC..THydrogen-bonded Turntrans-59-31.9-165.6-55.7-15.7000114.8T165 P200 F202 P203 G204 Q210 Y671T165-W167 HydrophobicContact CG2-CB 4.34Å; T165-W167 HydrophobicContact CG2-CD2 3.89Å; T165-W167 HydrophobicContact CG2-CE3 4.18Å; T165-W167 HydrophobicContact CG2-CG 3.95Å; W167-P200 HydrophobicContact CD2-CB 4.45Å; W167-P200 HydrophobicContact CE3-CB 3.7Å; W167-P200 HydrophobicContact CE3-CG 4.03Å; W167-P200 HydrophobicContact CZ3-CB 4.03Å; W167-P200 HydrophobicContact CZ3-CG 3.85Å; W167-F202 VanDerWaalsContact CA-O 3.32Å; W167-F202 WeakPolarHBondContact CA-O 3.43Å; W167-F202 WeakPolarHBondContact CB-O 3.11Å; W167-P203 HydrophobicContact CD2-CB 4.28Å; W167-P203 HydrophobicContact CZ2-CB 4.27Å; W167-G204 PolarHBondContact NE1-O 3.13Å; W167-Q210 PolarHBondContact O-NE2 2.73Å; W167-Y671 WeakPolarHBondContact CZ3-OH 3.34Å
168Y97.4Very high79.1Confident9 Ų948.1 Ų48.14%0.03526%0.258CS..THydrogen-bonded Turntrans-95.73.8-177.4-44.6-76.9000114I127 K128 P129 T165 R166 S187 C190 I191 E194I127-Y168 VanDerWaalsContact O-CB 3.28Å; I127-Y168 WeakPolarHBondContact O-CB 3.45Å; K128-Y168 HydrophobicContact CB-CD2 3.36Å; K128-Y168 HydrophobicContact CB-CE2 3.6Å; K128-Y168 HydrophobicContact CB-CG 4Å; P129-Y168 VanDerWaalsContact CD-OH 3.32Å; P129-Y168 WeakPolarHBondContact CD-OH 3.16Å; P129-Y168 HydrophobicContact CG-CE1 4.13Å; T165-Y168 HydrophobicContact CG2-CE2 4.17Å; R166-Y168 VanDerWaalsContact C-N 3.26Å; R166-Y168 PolarHBondContact O-N 2.92Å; R166-Y168 VanDerWaalsContact O-N 3.12Å; Y168-S187 PolarHBondContact O-OG 3.25Å; Y168-C190 HydrophobicContact CD1-CB 3.98Å; Y168-I191 HydrophobicContact CD1-CG1 4.01Å; Y168-I191 HydrophobicContact CE1-CG1 4.22Å; Y168-E194 VanDerWaalsContact CE1-OE2 3.29Å; Y168-E194 WeakPolarHBondContact CE1-OE2 3.3Å; Y168-E194 PolarHBondContact OH-OE2 3.34Å
169R95.9Very high81.1Confident29 Ų2942.6 Ų42.611%0.10923%0.226CC..  trans-84.1137.8-176.9-63.8-176.4176.8-166.9-8.5111R166 L173 L174 W186R166-R169 WeakPolarHBondContact O-CB 3.42Å; R166-R169 PolarHBondContact O-N 2.82Å; R169-L173 HydrophobicContact CB-CD2 4.43Å; R169-L173 HydrophobicContact CG-CD2 4.34Å; R169-L174 HydrophobicContact CB-CD1 4.3Å; R169-L174 HydrophobicContact CB-CD2 3.97Å; R169-L174 HydrophobicContact CB-CG 3.92Å; R169-W186 PolarHBondContact O-NE1 3.02Å; R169-W186 VanDerWaalsContact O-NE1 3.08Å
170S96.4Very high83.1Confident1 Ų141 Ų411%0.00723%0.227CC..  trans-73.8154.2176.566.30000112.3E172 L173 L174 W186S170-E172 VanDerWaalsContact C-N 3.3Å; S170-E172 VanDerWaalsContact CB-CD 3.49Å; S170-E172 WeakPolarHBondContact CB-OE1 3.42Å; S170-E172 PolarHBondContact O-N 3.17Å; S170-E172 PolarHBondContact OG-OE1 2.96Å; S170-L173 PolarHBondContact O-N 3.41Å; S170-L173 VanDerWaalsContact O-N 3.13Å; S170-L173 WeakPolarHBondContact OG-CB 3.28Å; S170-L174 WeakPolarHBondContact O-CG 3.41Å; S170-L174 PolarHBondContact O-N 3.21Å; S170-L174 VanDerWaalsContact O-N 3.08Å; S170-W186 VanDerWaalsContact CA-CD1 3.44Å
171P96.1Very high85.1Confident0 Ų040.1 Ų40.10%022%0.218CC..Hα-helixtrans-60-39.3-178.123.5-33.8000112L173 L174 L175 W186 L211 L221 L271P171-L173 VanDerWaalsContact C-N 3.33Å; P171-L173 PolarHBondContact O-N 3.48Å; P171-L174 PolarHBondContact O-N 2.94Å; P171-L175 WeakPolarHBondContact O-CB 3.32Å; P171-L175 WeakPolarHBondContact O-CD1 3.25Å; P171-L175 WeakPolarHBondContact O-CG 3.17Å; P171-L175 PolarHBondContact O-N 3.31Å; P171-W186 HydrophobicContact CG-CH2 4.23Å; P171-W186 HydrophobicContact CG-CZ3 4.28Å; P171-L211 HydrophobicContact CB-CD2 3.96Å; P171-L221 HydrophobicContact CB-CD2 4.12Å; P171-L271 HydrophobicContact CG-CD2 4.15Å
172E94.1Very high87.4Confident4 Ų433.1 Ų33.12%0.01919%0.186CC..Hα-helixtrans-63.8-35.117768.9-77.3171.100113.2S170 L175 G176 A177 V183 P273 R276S170-E172 VanDerWaalsContact C-N 3.3Å; S170-E172 VanDerWaalsContact CB-CD 3.49Å; S170-E172 WeakPolarHBondContact CB-OE1 3.42Å; S170-E172 PolarHBondContact O-N 3.17Å; S170-E172 PolarHBondContact OG-OE1 2.96Å; E172-L175 PolarHBondContact O-N 3.11Å; E172-G176 PolarHBondContact O-N 2.98Å; E172-A177 HydrophobicContact CB-CB 4.2Å; E172-A177 WeakPolarHBondContact O-CB 3.49Å; E172-A177 PolarHBondContact O-N 2.6Å; E172-V183 HydrophobicContact CG-CG1 4.39Å; E172-P273 HydrophobicContact CB-CG 4.38Å; E172-P273 HydrophobicContact CG-CB 4.23Å; E172-P273 HydrophobicContact CG-CG 4.04Å; E172-R276 IonicContact OE1-CZ 3.79Å; E172-R276 IonicContact OE1-NH1 3.41Å; E172-R276 PolarHBondContact OE1-NH1 2.8Å; E172-R276 IonicContact OE1-NH2 3.11Å; E172-R276 IonicContact OE2-CZ 2.7Å; E172-R276 IonicContact OE2-NH1 2.73Å; E172-R276 IonicContact OE2-NH2 3.34Å; E172-R276 PolarHBondContact OE2-NH2 3.39Å
173L91.4Very high89.2Confident22 Ų2231.4 Ų31.412%0.11518%0.18CC..Hα-helixtrans-72.4-37177.7-17465.4000112.1R169 S170 P171 G176 Y179 V183R169-L173 HydrophobicContact CB-CD2 4.43Å; R169-L173 HydrophobicContact CG-CD2 4.34Å; S170-L173 PolarHBondContact O-N 3.41Å; S170-L173 VanDerWaalsContact O-N 3.13Å; S170-L173 WeakPolarHBondContact OG-CB 3.28Å; P171-L173 VanDerWaalsContact C-N 3.33Å; P171-L173 PolarHBondContact O-N 3.48Å; L173-G176 PolarHBondContact O-N 3.01Å; L173-Y179 HydrophobicContact CD1-CD1 4.36Å; L173-Y179 HydrophobicContact CD1-CG 4.43Å; L173-V183 HydrophobicContact CB-CG1 4.48Å
174L92.3Very high91.5Very high3 Ų324.1 Ų24.12%0.01614%0.136CC..Hα-helixtrans-66.9-38.5173.6-68.8163.4000111.7R169 S170 P171 G176 E207 Q210 L211 I214R169-L174 HydrophobicContact CB-CD1 4.3Å; R169-L174 HydrophobicContact CB-CD2 3.97Å; R169-L174 HydrophobicContact CB-CG 3.92Å; S170-L174 WeakPolarHBondContact O-CG 3.41Å; S170-L174 PolarHBondContact O-N 3.21Å; S170-L174 VanDerWaalsContact O-N 3.08Å; P171-L174 PolarHBondContact O-N 2.94Å; L174-G176 PolarHBondContact O-N 3.05Å; L174-E207 HydrophobicContact CD2-CG 4.41Å; L174-Q210 HydrophobicContact CD1-CB 4.19Å; L174-Q210 HydrophobicContact CD1-CG 3.46Å; L174-Q210 VanDerWaalsContact CD1-CG 3.46Å; L174-Q210 HydrophobicContact CD2-CG 4.24Å; L174-L211 HydrophobicContact CB-CD1 4.48Å; L174-L211 HydrophobicContact CB-CD2 3.96Å; L174-L211 HydrophobicContact CB-CG 4.22Å; L174-L211 HydrophobicContact CD1-CD2 3.88Å; L174-L211 HydrophobicContact CD1-CG 4.16Å; L174-I214 HydrophobicContact CD1-CD1 4.02Å
175L91.4Very high93.1Very high3 Ų322.7 Ų22.72%0.01612%0.124CC..THydrogen-bonded Turntrans-74.4-9.5179-69.8167.7000114.1P171 E172 A177 L211 Q225 F229 N232 F235P171-L175 WeakPolarHBondContact O-CB 3.32Å; P171-L175 WeakPolarHBondContact O-CD1 3.25Å; P171-L175 WeakPolarHBondContact O-CG 3.17Å; P171-L175 PolarHBondContact O-N 3.31Å; E172-L175 PolarHBondContact O-N 3.11Å; L175-A177 VanDerWaalsContact C-N 3.35Å; L175-L211 HydrophobicContact CD2-CD1 3.82Å; L175-L211 HydrophobicContact CG-CD1 4.27Å; L175-L211 HydrophobicContact CG-CD2 4.32Å; L175-Q225 HydrophobicContact CD1-CB 3.58Å; L175-Q225 HydrophobicContact CD1-CG 3.83Å; L175-F229 HydrophobicContact CD2-CB 3.71Å; L175-F229 HydrophobicContact CD2-CD2 3.94Å; L175-F229 HydrophobicContact CD2-CG 4.34Å; L175-N232 PolarHBondContact O-ND2 3.34Å; L175-F235 HydrophobicContact CD2-CE2 4.12Å
176G86.5Confident94Very high19 Ų1920.7 Ų20.720%0.19611%0.112CC..THydrogen-bonded Turntrans7228.1-174.400000113.3Y159 E172 L173 L174Y159-G176 WeakPolarHBondContact CE2-O 3.48Å; Y159-G176 PolarHBondContact OH-O 3.49Å; E172-G176 PolarHBondContact O-N 2.98Å; L173-G176 PolarHBondContact O-N 3.01Å; L174-G176 PolarHBondContact O-N 3.05Å
177A87.4Confident94.3Very high5 Ų518.2 Ų18.24%0.04110%0.103CC..  trans-92.2147.5-178.600000111.6Y159 E172 L175 Y179 L228Y159-A177 PolarHBondContact OH-O 2.85Å; E172-A177 HydrophobicContact CB-CB 4.2Å; E172-A177 WeakPolarHBondContact O-CB 3.49Å; E172-A177 PolarHBondContact O-N 2.6Å; L175-A177 VanDerWaalsContact C-N 3.35Å; A177-Y179 PolarHBondContact O-N 2.96Å; A177-L228 HydrophobicContact CB-CD1 3.62Å; A177-L228 HydrophobicContact CB-CD2 4.15Å; A177-L228 HydrophobicContact CB-CG 4.45Å
178P85.8Confident94.4Very high99 Ų9915.1 Ų15.164%0.6439%0.092SC*.  trans-49128.7-178.2-29.435.9000112.9T155T155-P178 HydrophobicContact CG2-CB 4.43Å
179Y89.1Confident94.4Very high31 Ų3114.7 Ų14.712%0.1229%0.09CC..  trans-118.9158.7-168.857.7-86.9000112.5V123 R125 Y159 L173 A177V123-Y179 HydrophobicContact CG2-CE2 4.5Å; R125-Y179 HydrophobicContact CG-CE2 4.48Å; R125-Y179 PolarHBondContact NH2-OH 3.48Å; Y159-Y179 HydrophobicContact CD1-CE1 4.29Å; Y159-Y179 AromaticContact CE1-CD1 3.54Å; Y159-Y179 HydrophobicContact CE1-CD1 3.54Å; Y159-Y179 AromaticContact CE1-CE1 3.52Å; Y159-Y179 HydrophobicContact CE1-CE1 3.52Å; Y159-Y179 AromaticContact CZ-CD1 3.88Å; Y159-Y179 AromaticContact CZ-CE1 3.84Å; Y159-Y179 WeakPolarHBondContact OH-CD1 3.47Å; L173-Y179 HydrophobicContact CD1-CD1 4.36Å; L173-Y179 HydrophobicContact CD1-CG 4.43Å; A177-Y179 PolarHBondContact O-N 2.96Å
180G92.8Very high94.6Very high25 Ų2513.4 Ų13.426%0.2589%0.085SC..  trans-154.4-159.6175.600000110.8A182 V183G180-A182 PolarHBondContact O-N 2.71Å; G180-V183 WeakPolarHBondContact O-CG2 3.49Å; G180-V183 PolarHBondContact O-N 2.66Å
181K96.8Very high94.7Very high50 Ų5013.4 Ų13.422%0.2179%0.085CC..THydrogen-bonded Turntrans-49.5-30.1-173.9-64.2178.1-173.5-173.90114.6H118 E121 V123 L151 V183 D184 L278H118-K181 HydrophobicContact CB-CD 3.98Å; H118-K181 HydrophobicContact CB-CG 4.35Å; H118-K181 PolarHBondContact CE1-O 3.28Å; H118-K181 VanDerWaalsContact O-CE 3.31Å; H118-K181 WeakPolarHBondContact O-CE 3.24Å; H118-K181 PolarHBondContact O-NZ 3.23Å; E121-K181 IonicContact OE1-NZ 3.74Å; E121-K181 PolarHBondContact OE1-NZ 2.68Å; E121-K181 WeakPolarHBondContact OE2-CE 3.42Å; E121-K181 IonicContact OE2-NZ 2.71Å; E121-K181 PolarHBondContact OE2-NZ 2.76Å; V123-K181 HydrophobicContact CG1-CG 4.04Å; L151-K181 HydrophobicContact CD1-CD 4.42Å; L151-K181 HydrophobicContact CD1-CG 3.83Å; K181-V183 VanDerWaalsContact C-N 3.26Å; K181-V183 PolarHBondContact O-N 3.42Å; K181-D184 PolarHBondContact O-N 2.74Å; K181-L278 HydrophobicContact CB-CD2 4Å
182A97.6Very high94.8Very high8 Ų813.4 Ų13.47%0.0669%0.085CC..Hα-helixtrans-60.3-22.3177.400000115.5G180 M185 W186 P273 R276 L278G180-A182 PolarHBondContact O-N 2.71Å; A182-M185 PolarHBondContact O-N 3.38Å; A182-W186 PolarHBondContact O-N 2.85Å; A182-P273 HydrophobicContact CB-CB 3.83Å; A182-P273 VanDerWaalsContact CB-O 3.28Å; A182-P273 WeakPolarHBondContact CB-O 3.4Å; A182-R276 WeakPolarHBondContact O-CD 3.45Å; A182-R276 PolarHBondContact O-NH1 3.08Å; A182-L278 HydrophobicContact CB-CD2 4.3Å
183V97.3Very high95Very high3 Ų313.2 Ų13.22%0.0188%0.084CC..Hα-helixtrans-66.9-38.7-179.5-580000112.4R125 E172 L173 G180 K181 M185 W186R125-V183 HydrophobicContact CG-CG2 4.18Å; E172-V183 HydrophobicContact CG-CG1 4.39Å; L173-V183 HydrophobicContact CB-CG1 4.48Å; G180-V183 WeakPolarHBondContact O-CG2 3.49Å; G180-V183 PolarHBondContact O-N 2.66Å; K181-V183 VanDerWaalsContact C-N 3.26Å; K181-V183 PolarHBondContact O-N 3.42Å; V183-M185 VanDerWaalsContact C-N 3.33Å; V183-W186 WeakPolarHBondContact O-CB 3.31Å; V183-W186 PolarHBondContact O-N 3.44Å
184D98.5Very high95.4Very high1 Ų112.5 Ų12.51%0.0058%0.08CC..Hα-helixtrans-69-36.7179.8-65-33.7000110.6I114 H118 V123 H124 R125 I127 K181 W186 S187 V188I114-D184 HydrophobicContact CG2-CB 3.96Å; H118-D184 IonicContact CD2-OD2 3.15Å; H118-D184 IonicContact CE1-OD2 3.34Å; H118-D184 IonicContact NE2-OD2 3.93Å; H118-D184 PolarHBondContact NE2-OD2 2.98Å; V123-D184 WeakPolarHBondContact CA-OD2 3.31Å; H124-D184 WeakPolarHBondContact CB-OD1 3.47Å; H124-D184 PolarHBondContact N-OD1 2.99Å; H124-D184 VanDerWaalsContact N-OD1 3.13Å; H124-D184 PolarHBondContact N-OD2 3.26Å; R125-D184 PolarHBondContact N-OD1 2.69Å; I127-D184 HydrophobicContact CD1-CB 3.69Å; K181-D184 PolarHBondContact O-N 2.74Å; D184-W186 VanDerWaalsContact C-N 3.3Å; D184-W186 PolarHBondContact O-N 3.24Å; D184-S187 WeakPolarHBondContact O-CB 3.27Å; D184-S187 PolarHBondContact O-N 3.46Å; D184-S187 VanDerWaalsContact O-N 3.14Å; D184-V188 WeakPolarHBondContact O-CG2 3.46Å; D184-V188 PolarHBondContact O-N 3.1Å; D184-V188 VanDerWaalsContact O-N 3.12Å
185M98.8Very high95.7Very high0 Ų012.4 Ų12.40%08%0.08CC..Hα-helixtrans-64.5-33.7178.7-57.4-52.8-5800112.6I111 I114 A182 V183 V188 G189 M268 F277 L278 T279 C282I111-M185 HydrophobicContact CG2-CE 4.42Å; I114-M185 HydrophobicContact CG2-SD 4.17Å; A182-M185 PolarHBondContact O-N 3.38Å; V183-M185 VanDerWaalsContact C-N 3.33Å; M185-V188 WeakPolarHBondContact O-CB 3.38Å; M185-V188 PolarHBondContact O-N 3.03Å; M185-G189 PolarHBondContact O-N 3.29Å; M185-M268 HydrophobicContact CE-CG 4.33Å; M185-M268 HydrophobicContact CE-SD 3.98Å; M185-F277 WeakPolarHBondContact CG-O 3.32Å; M185-L278 HydrophobicContact CG-CD2 4.25Å; M185-T279 HydrophobicContact CE-CG2 4.4Å; M185-T279 HydrophobicContact SD-CG2 3.57Å; M185-T279 VanDerWaalsContact SD-CG2 3.57Å; M185-C282 HydrophobicContact CE-CB 4.12Å; M185-C282 VanDerWaalsContact CE-SG 3.53Å
186W98.8Very high96Very high0 Ų013.2 Ų13.20%09%0.086CC..Hα-helixtrans-62-43.8172.2176.1-83.7000112R169 S170 P171 A182 V183 D184 V188 G189 C190 F202 I214 L218 L269 L271R169-W186 PolarHBondContact O-NE1 3.02Å; R169-W186 VanDerWaalsContact O-NE1 3.08Å; S170-W186 VanDerWaalsContact CA-CD1 3.44Å; P171-W186 HydrophobicContact CG-CH2 4.23Å; P171-W186 HydrophobicContact CG-CZ3 4.28Å; A182-W186 PolarHBondContact O-N 2.85Å; V183-W186 WeakPolarHBondContact O-CB 3.31Å; V183-W186 PolarHBondContact O-N 3.44Å; D184-W186 VanDerWaalsContact C-N 3.3Å; D184-W186 PolarHBondContact O-N 3.24Å; W186-V188 VanDerWaalsContact C-N 3.3Å; W186-V188 PolarHBondContact O-N 3.42Å; W186-G189 WeakPolarHBondContact O-CA 3.42Å; W186-G189 PolarHBondContact O-N 3.12Å; W186-G189 VanDerWaalsContact O-N 3.1Å; W186-C190 PolarHBondContact NE1-SG 3.24Å; W186-C190 PolarHBondContact O-N 3.5Å; W186-C190 PolarHBondContact O-SG 3.48Å; W186-F202 HydrophobicContact CH2-CE2 4.29Å; W186-F202 HydrophobicContact CH2-CZ 4.49Å; W186-F202 HydrophobicContact CZ2-CD2 4.12Å; W186-F202 AromaticContact CZ2-CE2 3.6Å; W186-F202 HydrophobicContact CZ2-CE2 3.6Å; W186-F202 HydrophobicContact CZ2-CZ 4.18Å; W186-I214 HydrophobicContact CH2-CG2 3.7Å; W186-I214 HydrophobicContact CZ2-CD1 3.79Å; W186-I214 HydrophobicContact CZ2-CG1 3.93Å; W186-I214 HydrophobicContact CZ2-CG2 3.91Å; W186-L218 HydrophobicContact CH2-CD1 3.48Å; W186-L218 VanDerWaalsContact CH2-CD1 3.48Å; W186-L218 HydrophobicContact CZ2-CD1 4.45Å; W186-L218 HydrophobicContact CZ3-CD1 3.96Å; W186-L269 HydrophobicContact CD2-CD2 3.86Å; W186-L269 HydrophobicContact CE3-CD2 3.91Å; W186-L269 HydrophobicContact CG-CD2 4.33Å; W186-L269 HydrophobicContact CZ2-CD2 4.43Å; W186-L269 HydrophobicContact CZ3-CB 4.46Å; W186-L269 HydrophobicContact CZ3-CD2 4.26Å; W186-L269 WeakPolarHBondContact CZ3-O 3.14Å; W186-L271 HydrophobicContact CH2-CD2 3.9Å; W186-L271 HydrophobicContact CZ3-CD2 4.13Å
187S98.7Very high96.5Very high6 Ų613.3 Ų13.34%0.0428%0.082CC..Hα-helixtrans-61-39.2175.4-53.60000111.8Y168 D184 G189 C190 I191Y168-S187 PolarHBondContact O-OG 3.25Å; D184-S187 WeakPolarHBondContact O-CB 3.27Å; D184-S187 PolarHBondContact O-N 3.46Å; D184-S187 VanDerWaalsContact O-N 3.14Å; S187-G189 VanDerWaalsContact C-N 3.34Å; S187-G189 PolarHBondContact O-N 3.01Å; S187-C190 WeakPolarHBondContact O-CB 3.25Å; S187-C190 PolarHBondContact O-N 2.96Å; S187-I191 WeakPolarHBondContact O-CB 3.12Å; S187-I191 WeakPolarHBondContact O-CD1 3.38Å; S187-I191 VanDerWaalsContact O-CG1 3.25Å; S187-I191 WeakPolarHBondContact O-CG1 3.25Å; S187-I191 PolarHBondContact O-N 2.93Å
188V98.9Very high97Very high0 Ų013.5 Ų13.50%08%0.084CC..Hα-helixtrans-60.1-42.6171.7-175.10000111.7I107 L110 I111 I114 D184 M185 W186 C190 I191 L192 M268I107-V188 HydrophobicContact CD1-CG1 4.2Å; I107-V188 HydrophobicContact CG2-CG1 3.83Å; L110-V188 HydrophobicContact CD2-CG1 4.27Å; L110-V188 HydrophobicContact CD2-CG2 4Å; L110-V188 HydrophobicContact CG-CG2 4.1Å; I111-V188 HydrophobicContact CD1-CG1 4.22Å; I111-V188 HydrophobicContact CG1-CG1 3.88Å; I114-V188 HydrophobicContact CD1-CG2 3.2Å; D184-V188 WeakPolarHBondContact O-CG2 3.46Å; D184-V188 PolarHBondContact O-N 3.1Å; D184-V188 VanDerWaalsContact O-N 3.12Å; M185-V188 WeakPolarHBondContact O-CB 3.38Å; M185-V188 PolarHBondContact O-N 3.03Å; W186-V188 VanDerWaalsContact C-N 3.3Å; W186-V188 PolarHBondContact O-N 3.42Å; V188-C190 VanDerWaalsContact C-N 3.33Å; V188-C190 PolarHBondContact O-N 2.9Å; V188-I191 PolarHBondContact O-N 3.21Å; V188-L192 VanDerWaalsContact O-CB 3.31Å; V188-L192 WeakPolarHBondContact O-CB 3.22Å; V188-L192 PolarHBondContact O-N 2.95Å; V188-M268 HydrophobicContact CB-CE 4.41Å; V188-M268 HydrophobicContact CB-SD 3.99Å; V188-M268 HydrophobicContact CG1-CE 3.8Å; V188-M268 HydrophobicContact CG1-SD 3.65Å
189G98.8Very high97.5Very high0 Ų013.3 Ų13.30%08%0.075CC..Hα-helixtrans-59.3-40.7175.100000113.3M185 W186 S187 G193M185-G189 PolarHBondContact O-N 3.29Å; W186-G189 WeakPolarHBondContact O-CA 3.42Å; W186-G189 PolarHBondContact O-N 3.12Å; W186-G189 VanDerWaalsContact O-N 3.1Å; S187-G189 VanDerWaalsContact C-N 3.34Å; S187-G189 PolarHBondContact O-N 3.01Å; G189-G193 PolarHBondContact O-N 3.27Å
190C98.8Very high98Very high1 Ų113 Ų131%0.0078%0.077CC..Hα-helixtrans-65-47.9175.6-59.20000111.5Y168 W186 S187 V188 L192 G193 E194Y168-C190 HydrophobicContact CD1-CB 3.98Å; W186-C190 PolarHBondContact NE1-SG 3.24Å; W186-C190 PolarHBondContact O-N 3.5Å; W186-C190 PolarHBondContact O-SG 3.48Å; S187-C190 WeakPolarHBondContact O-CB 3.25Å; S187-C190 PolarHBondContact O-N 2.96Å; V188-C190 VanDerWaalsContact C-N 3.33Å; V188-C190 PolarHBondContact O-N 2.9Å; C190-L192 PolarHBondContact O-N 3.42Å; C190-G193 PolarHBondContact O-N 3Å; C190-G193 VanDerWaalsContact O-N 3.11Å; C190-E194 PolarHBondContact O-N 3.26Å
191I98.8Very high98.2Very high2 Ų212 Ų121%0.017%0.065CC..Hα-helixtrans-69-33.4-177.2-66.1163.9000111.5M87 I107 L110 I127 L132 Y168 S187 V188 G193 E194 L195M87-I191 HydrophobicContact SD-CG2 3.49Å; M87-I191 WeakPolarHBondContact SD-CG2 3.39Å; I107-I191 HydrophobicContact CD1-CB 4.49Å; I107-I191 HydrophobicContact CD1-CG2 4.05Å; L110-I191 HydrophobicContact CD2-CD1 4.45Å; L110-I191 HydrophobicContact CD2-CG2 4.49Å; I127-I191 HydrophobicContact CG2-CD1 3.8Å; L132-I191 HydrophobicContact CD1-CD1 3.91Å; L132-I191 HydrophobicContact CD1-CG2 4.2Å; Y168-I191 HydrophobicContact CD1-CG1 4.01Å; Y168-I191 HydrophobicContact CE1-CG1 4.22Å; S187-I191 WeakPolarHBondContact O-CB 3.12Å; S187-I191 WeakPolarHBondContact O-CD1 3.38Å; S187-I191 VanDerWaalsContact O-CG1 3.25Å; S187-I191 WeakPolarHBondContact O-CG1 3.25Å; S187-I191 PolarHBondContact O-N 2.93Å; V188-I191 PolarHBondContact O-N 3.21Å; I191-G193 VanDerWaalsContact C-N 3.29Å; I191-G193 PolarHBondContact O-N 3.44Å; I191-E194 PolarHBondContact O-N 3.43Å; I191-L195 HydrophobicContact CG2-CD1 4.04Å; I191-L195 HydrophobicContact CG2-CG 4.22Å; I191-L195 VanDerWaalsContact O-CB 3.23Å; I191-L195 WeakPolarHBondContact O-CB 3.43Å; I191-L195 WeakPolarHBondContact O-CG 3.38Å; I191-L195 PolarHBondContact O-N 3.48Å
192L98.8Very high98.3Very high0 Ų09.7 Ų9.70%06%0.055CC..Hα-helixtrans-62.2-36.9170.7169.757.8000111.7V103 I107 V188 C190 S196 M257 M261 M265 M268V103-L192 HydrophobicContact CG1-CD1 3.69Å; I107-L192 HydrophobicContact CD1-CB 3.88Å; I107-L192 HydrophobicContact CG1-CB 4.05Å; I107-L192 HydrophobicContact CG1-CD1 4.03Å; V188-L192 VanDerWaalsContact O-CB 3.31Å; V188-L192 WeakPolarHBondContact O-CB 3.22Å; V188-L192 PolarHBondContact O-N 2.95Å; C190-L192 PolarHBondContact O-N 3.42Å; L192-S196 WeakPolarHBondContact O-CB 3.37Å; L192-S196 PolarHBondContact O-OG 2.83Å; L192-M257 HydrophobicContact CD1-CE 4.03Å; L192-M257 HydrophobicContact CG-CE 4.17Å; L192-M261 HydrophobicContact CD1-CE 3.44Å; L192-M261 VanDerWaalsContact CD1-CE 3.44Å; L192-M261 HydrophobicContact CD2-CE 4.41Å; L192-M265 HydrophobicContact CD2-CB 3.77Å; L192-M265 HydrophobicContact CD2-CG 4.46Å; L192-M265 HydrophobicContact CG-CB 4.45Å; L192-M265 HydrophobicContact CG-CE 4.06Å; L192-M268 HydrophobicContact CB-CE 4.49Å; L192-M268 HydrophobicContact CD2-CE 3.62Å
193G98.4Very high98.2Very high0 Ų012.1 Ų12.10%07%0.071CC..Hα-helixtrans-65.5-54.9174.200000112.1G189 C190 I191 L195 S196 D197 Y253 M265G189-G193 PolarHBondContact O-N 3.27Å; C190-G193 PolarHBondContact O-N 3Å; C190-G193 VanDerWaalsContact O-N 3.11Å; I191-G193 VanDerWaalsContact C-N 3.29Å; I191-G193 PolarHBondContact O-N 3.44Å; G193-L195 PolarHBondContact O-N 3.22Å; G193-S196 WeakPolarHBondContact O-CA 3.45Å; G193-S196 WeakPolarHBondContact O-CB 3.45Å; G193-S196 PolarHBondContact O-N 3.31Å; G193-D197 PolarHBondContact O-N 3.38Å; G193-Y253 WeakPolarHBondContact CA-OH 3.24Å; G193-Y253 PolarHBondContact O-OH 3.41Å; G193-M265 VanDerWaalsContact CA-CE 3.41Å
194E98.5Very high98.1Very high7 Ų712.2 Ų12.23%0.0337%0.072CC..Hα-helixtrans-65.9-36.3-176.4179.5168.2-166.800113.4L91 Y168 C190 I191 S196 G198 Q199L91-E194 HydrophobicContact CD1-CG 3.81Å; L91-E194 HydrophobicContact CD2-CG 4.02Å; L91-E194 WeakPolarHBondContact CD2-O 3.37Å; Y168-E194 VanDerWaalsContact CE1-OE2 3.29Å; Y168-E194 WeakPolarHBondContact CE1-OE2 3.3Å; Y168-E194 PolarHBondContact OH-OE2 3.34Å; C190-E194 PolarHBondContact O-N 3.26Å; I191-E194 PolarHBondContact O-N 3.43Å; E194-S196 PolarHBondContact O-N 2.89Å; E194-S196 VanDerWaalsContact O-N 3.15Å; E194-G198 WeakPolarHBondContact O-CA 3.46Å; E194-G198 PolarHBondContact O-N 3.41Å; E194-Q199 WeakPolarHBondContact CA-O 3.31Å; E194-Q199 WeakPolarHBondContact CB-O 3.45Å
195L98.6Very high97.9Very high1 Ų121 Ų211%0.00511%0.113CC..Hα-helixtrans-61.9-18.3170.2-81.5177000113.4M87 L90 L91 A98 V103 Y106 I107 I191 G193M87-L195 HydrophobicContact CE-CD1 3.89Å; M87-L195 HydrophobicContact CE-CD2 4.28Å; M87-L195 HydrophobicContact CG-CD2 3.93Å; M87-L195 HydrophobicContact SD-CD1 3.84Å; M87-L195 HydrophobicContact SD-CD2 3.82Å; M87-L195 HydrophobicContact SD-CG 3.92Å; L90-L195 HydrophobicContact CD2-CD2 4.16Å; L91-L195 HydrophobicContact CD2-CD2 4.32Å; A98-L195 PolarHBondContact N-O 3.09Å; V103-L195 HydrophobicContact CG1-CB 3.93Å; V103-L195 HydrophobicContact CG1-CD1 4.47Å; V103-L195 HydrophobicContact CG2-CB 4.07Å; V103-L195 VanDerWaalsContact CG2-O 3.3Å; V103-L195 WeakPolarHBondContact CG2-O 3.31Å; Y106-L195 HydrophobicContact CD2-CD1 4.5Å; I107-L195 HydrophobicContact CD1-CD1 3.9Å; I107-L195 HydrophobicContact CG1-CD1 4.02Å; I191-L195 HydrophobicContact CG2-CD1 4.04Å; I191-L195 HydrophobicContact CG2-CG 4.22Å; I191-L195 VanDerWaalsContact O-CB 3.23Å; I191-L195 WeakPolarHBondContact O-CB 3.43Å; I191-L195 WeakPolarHBondContact O-CG 3.38Å; I191-L195 PolarHBondContact O-N 3.48Å; G193-L195 PolarHBondContact O-N 3.22Å
196S98.4Very high97.5Very high20 Ų2023.6 Ų23.614%0.1413%0.131CC..Hα-helixtrans-102.1-26.8-173.3-55.50000114.3L192 G193 E194 I256 M257L192-S196 WeakPolarHBondContact O-CB 3.37Å; L192-S196 PolarHBondContact O-OG 2.83Å; G193-S196 WeakPolarHBondContact O-CA 3.45Å; G193-S196 WeakPolarHBondContact O-CB 3.45Å; G193-S196 PolarHBondContact O-N 3.31Å; E194-S196 PolarHBondContact O-N 2.89Å; E194-S196 VanDerWaalsContact O-N 3.15Å; S196-I256 WeakPolarHBondContact O-CG2 3.43Å; S196-M257 VanDerWaalsContact CB-CE 3.49Å; S196-M257 WeakPolarHBondContact OG-CE 3.49Å
197D97.3Very high97.1Very high20 Ų2025.1 Ų25.111%0.10714%0.138CC..Hα-helixtrans-119.3-5.8175.464.712.1000113.9N96 G193 Q199 R252 Y253 I256N96-D197 VanDerWaalsContact C-C 3.4Å; N96-D197 CarbonylContact C-O 3.52Å; N96-D197 VanDerWaalsContact C-O 3.26Å; N96-D197 WeakPolarHBondContact CA-O 3.3Å; G193-D197 PolarHBondContact O-N 3.38Å; D197-Q199 VanDerWaalsContact C-N 3.27Å; D197-Q199 PolarHBondContact O-N 3.2Å; D197-Q199 PolarHBondContact OD1-N 3.1Å; D197-R252 IonicContact OD1-NH2 3.21Å; D197-R252 IonicContact OD2-CZ 2.72Å; D197-R252 IonicContact OD2-NE 3.8Å; D197-R252 PolarHBondContact OD2-NE 3.25Å; D197-R252 VanDerWaalsContact OD2-NE 3.11Å; D197-R252 IonicContact OD2-NH2 2.7Å; D197-R252 PolarHBondContact OD2-NH2 3Å; D197-Y253 HydrophobicContact CB-CE1 4.11Å; D197-Y253 WeakPolarHBondContact OD2-CE1 3.03Å; D197-Y253 PolarHBondContact OD2-OH 2.84Å; D197-Y253 VanDerWaalsContact OD2-OH 3.08Å; D197-I256 HydrophobicContact CB-CD1 4.11Å; D197-I256 HydrophobicContact CB-CG2 4.38Å
198G97.5Very high96.8Very high9 Ų926.5 Ų26.59%0.09315%0.145CC..SBendtrans76.98.2-177.800000114.1E194E194-G198 WeakPolarHBondContact O-CA 3.46Å; E194-G198 PolarHBondContact O-N 3.41Å
199Q97.3Very high96.6Very high96 Ų9628.3 Ų28.345%0.44915%0.154SC..SBendtrans-124.9132.4-172.1-53.5-56.5-55.400111.6P95 E194 D197 L201P95-Q199 PolarHBondContact O-NE2 3.17Å; E194-Q199 WeakPolarHBondContact CA-O 3.31Å; E194-Q199 WeakPolarHBondContact CB-O 3.45Å; D197-Q199 VanDerWaalsContact C-N 3.27Å; D197-Q199 PolarHBondContact O-N 3.2Å; D197-Q199 PolarHBondContact OD1-N 3.1Å; Q199-L201 PolarHBondContact O-N 3.45Å
200P97.8Very high96.4Very high25 Ų2528.3 Ų28.316%0.16215%0.154CC..  trans-57129.4175.623-33.8000110.7W167 P203W167-P200 HydrophobicContact CD2-CB 4.45Å; W167-P200 HydrophobicContact CE3-CB 3.7Å; W167-P200 HydrophobicContact CE3-CG 4.03Å; W167-P200 HydrophobicContact CZ3-CB 4.03Å; W167-P200 HydrophobicContact CZ3-CG 3.85Å; P200-P203 HydrophobicContact CB-CB 4.3Å; P200-P203 HydrophobicContact CG-CB 4.01Å; P200-P203 WeakPolarHBondContact O-CD 3.35Å
201L98.1Very high96.3Very high3 Ų328.2 Ų28.22%0.01615%0.154CC..SBendtrans-68.5-37.6-172.4176.456.7000112.7Q199 L249 Y253 L269Q199-L201 PolarHBondContact O-N 3.45Å; L201-L249 HydrophobicContact CD1-CD2 4.39Å; L201-L249 HydrophobicContact CD2-CD2 4.27Å; L201-Y253 HydrophobicContact CD1-CE2 4.04Å; L201-L269 HydrophobicContact CD2-CD1 3.45Å; L201-L269 VanDerWaalsContact CD2-CD1 3.45Å
202F98.1Very high96.1Very high1 Ų130.8 Ų30.80%0.00417%0.165CC..  trans-129.772.3-178.9-52.7-60.3000111.9W167 W186 G204 Q210 T213 I214 V217 L218 L269W167-F202 VanDerWaalsContact CA-O 3.32Å; W167-F202 WeakPolarHBondContact CA-O 3.43Å; W167-F202 WeakPolarHBondContact CB-O 3.11Å; W186-F202 HydrophobicContact CH2-CE2 4.29Å; W186-F202 HydrophobicContact CH2-CZ 4.49Å; W186-F202 HydrophobicContact CZ2-CD2 4.12Å; W186-F202 AromaticContact CZ2-CE2 3.6Å; W186-F202 HydrophobicContact CZ2-CE2 3.6Å; W186-F202 HydrophobicContact CZ2-CZ 4.18Å; F202-G204 VanDerWaalsContact C-N 3.26Å; F202-G204 PolarHBondContact O-N 3.37Å; F202-Q210 VanDerWaalsContact CB-NE2 3.26Å; F202-Q210 PolarHBondContact O-NE2 3.36Å; F202-Q210 PolarHBondContact O-OE1 2.83Å; F202-Q210 VanDerWaalsContact O-OE1 3.14Å; F202-T213 HydrophobicContact CB-CG2 4.44Å; F202-I214 HydrophobicContact CB-CG1 4.18Å; F202-I214 HydrophobicContact CD1-CB 4.4Å; F202-I214 HydrophobicContact CD1-CG1 3.93Å; F202-I214 HydrophobicContact CD2-CG1 4.09Å; F202-I214 HydrophobicContact CE1-CB 4.47Å; F202-I214 HydrophobicContact CE1-CG1 4.3Å; F202-I214 HydrophobicContact CE2-CG1 4.45Å; F202-I214 HydrophobicContact CG-CG1 3.82Å; F202-V217 HydrophobicContact CD1-CG2 4.29Å; F202-V217 HydrophobicContact CE1-CB 3.97Å; F202-V217 HydrophobicContact CE1-CG2 3.88Å; F202-L218 HydrophobicContact CE1-CG 4.4Å; F202-L218 HydrophobicContact CZ-CD1 3.95Å; F202-L218 HydrophobicContact CZ-CG 4.12Å; F202-L269 HydrophobicContact CE2-CD1 4.39Å; F202-L269 HydrophobicContact CE2-CD2 4.2Å; F202-L269 HydrophobicContact CZ-CD1 4.38Å
203P96.8Very high96Very high60 Ų6031.6 Ų31.639%0.3917%0.17SC..  trans-83.163.1-174.334.7-34.5000111.9W167 P200W167-P203 HydrophobicContact CD2-CB 4.28Å; W167-P203 HydrophobicContact CZ2-CB 4.27Å; P200-P203 HydrophobicContact CB-CB 4.3Å; P200-P203 HydrophobicContact CG-CB 4.01Å; P200-P203 WeakPolarHBondContact O-CD 3.35Å
204G95.4Very high96Very high5 Ų531.6 Ų31.65%0.05217%0.17CC..  trans-74.5143.6-178.500000113.8W167 F202 D209 Q210W167-G204 PolarHBondContact NE1-O 3.13Å; F202-G204 VanDerWaalsContact C-N 3.26Å; F202-G204 PolarHBondContact O-N 3.37Å; G204-D209 WeakPolarHBondContact CA-OD2 3.35Å; G204-Q210 VanDerWaalsContact CA-OE1 3.31Å; G204-Q210 VanDerWaalsContact N-OE1 3.12Å
205E92.6Very high95.9Very high186 Ų18631.5 Ų31.587%0.86917%0.169SC*.SBendtrans-87.3-24.2-178.4-63.1-175.616400113.6D209E205-D209 PolarHBondContact N-OD2 3.12Å
206S91.4Very high95.7Very high53 Ų5335.1 Ų35.137%0.37119%0.185SC..SBendtrans-142.4174.4-179.764.90000110.9I208 D209 Q210S206-I208 VanDerWaalsContact C-N 3.29Å; S206-I208 PolarHBondContact O-N 2.98Å; S206-D209 PolarHBondContact O-N 3.49Å; S206-D209 PolarHBondContact OG-N 3.46Å; S206-D209 VanDerWaalsContact OG-N 3.08Å; S206-Q210 WeakPolarHBondContact O-CB 3.32Å; S206-Q210 PolarHBondContact O-N 3.31Å
207E90.6Very high95.7Very high32 Ų3234.5 Ų34.515%0.1518%0.18CC..Hα-helixtrans-64.4-35.5176-65.5-173.1175.700112.3R166 L174 L211 F235R166-E207 IonicContact CZ-OE1 2.71Å; R166-E207 VanDerWaalsContact CZ-OE1 3.26Å; R166-E207 IonicContact NE-OE1 3.69Å; R166-E207 PolarHBondContact NE-OE1 3.34Å; R166-E207 IonicContact NH2-OE1 2.66Å; R166-E207 PolarHBondContact NH2-OE1 3.08Å; L174-E207 HydrophobicContact CD2-CG 4.41Å; E207-L211 VanDerWaalsContact O-CG 3.32Å; E207-L211 WeakPolarHBondContact O-CG 3.49Å; E207-L211 PolarHBondContact O-N 2.8Å; E207-L211 VanDerWaalsContact O-N 3.15Å; E207-F235 HydrophobicContact CB-CE1 4.28Å
208I92.7Very high95.7Very high35 Ų3535.5 Ų35.518%0.17919%0.185CC..Hα-helixtrans-68.9-47.5175.3-52.5-58.2000110.8S206 L211 F212 F229 F235 I238S206-I208 VanDerWaalsContact C-N 3.29Å; S206-I208 PolarHBondContact O-N 2.98Å; I208-L211 PolarHBondContact O-N 2.81Å; I208-F212 WeakPolarHBondContact O-CB 3.23Å; I208-F212 PolarHBondContact O-N 2.91Å; I208-F229 HydrophobicContact CD1-CE2 3.64Å; I208-F229 HydrophobicContact CD1-CZ 3.92Å; I208-F235 HydrophobicContact CD1-CD1 3.58Å; I208-F235 HydrophobicContact CD1-CE1 4.01Å; I208-F235 HydrophobicContact CD1-CG 4.18Å; I208-I238 HydrophobicContact CD1-CD1 3.88Å; I208-I238 HydrophobicContact CD1-CG2 4.13Å; I208-I238 HydrophobicContact CG1-CD1 4.08Å; I208-I238 HydrophobicContact CG1-CG2 4.35Å; I208-I238 HydrophobicContact CG2-CG2 4.41Å
209D93.9Very high95.5Very high38 Ų3835.2 Ų35.220%0.20318%0.183CC..Hα-helixtrans-72.9-28.8179.5-179.367.3000112.7G204 E205 S206 F212 T213 K216G204-D209 WeakPolarHBondContact CA-OD2 3.35Å; E205-D209 PolarHBondContact N-OD2 3.12Å; S206-D209 PolarHBondContact O-N 3.49Å; S206-D209 PolarHBondContact OG-N 3.46Å; S206-D209 VanDerWaalsContact OG-N 3.08Å; D209-F212 PolarHBondContact O-N 3.07Å; D209-T213 WeakPolarHBondContact O-CB 3.41Å; D209-T213 PolarHBondContact O-N 3.42Å; D209-T213 PolarHBondContact O-OG1 2.99Å; D209-T213 PolarHBondContact OD1-OG1 3.03Å; D209-T213 PolarHBondContact OD2-OG1 3.48Å; D209-K216 IonicContact OD1-NZ 2.72Å; D209-K216 PolarHBondContact OD1-NZ 3.14Å; D209-K216 VanDerWaalsContact OD1-NZ 3.08Å
210Q95.8Very high95.4Very high0 Ų035 Ų350%019%0.19CC..Hα-helixtrans-60.4-51.5170.1-173.667.640.700110.4R166 W167 L174 F202 G204 S206 F212 T213 I214R166-Q210 HydrophobicContact CB-CG 4.3Å; W167-Q210 PolarHBondContact O-NE2 2.73Å; L174-Q210 HydrophobicContact CD1-CB 4.19Å; L174-Q210 HydrophobicContact CD1-CG 3.46Å; L174-Q210 VanDerWaalsContact CD1-CG 3.46Å; L174-Q210 HydrophobicContact CD2-CG 4.24Å; F202-Q210 VanDerWaalsContact CB-NE2 3.26Å; F202-Q210 PolarHBondContact O-NE2 3.36Å; F202-Q210 PolarHBondContact O-OE1 2.83Å; F202-Q210 VanDerWaalsContact O-OE1 3.14Å; G204-Q210 VanDerWaalsContact CA-OE1 3.31Å; G204-Q210 VanDerWaalsContact N-OE1 3.12Å; S206-Q210 WeakPolarHBondContact O-CB 3.32Å; S206-Q210 PolarHBondContact O-N 3.31Å; Q210-F212 VanDerWaalsContact C-N 3.33Å; Q210-F212 PolarHBondContact O-N 3.25Å; Q210-T213 PolarHBondContact O-N 2.64Å; Q210-I214 HydrophobicContact CG-CD1 4.27Å; Q210-I214 VanDerWaalsContact O-CG1 3.23Å; Q210-I214 WeakPolarHBondContact O-CG1 3.48Å; Q210-I214 PolarHBondContact O-N 2.91Å
211L95.7Very high95.2Very high0 Ų034.2 Ų34.20%018%0.184CC..Hα-helixtrans-63.4-36.7176.3-71171.1000112.2P171 L174 L175 E207 I208 Q215 L221 F229 F240P171-L211 HydrophobicContact CB-CD2 3.96Å; L174-L211 HydrophobicContact CB-CD1 4.48Å; L174-L211 HydrophobicContact CB-CD2 3.96Å; L174-L211 HydrophobicContact CB-CG 4.22Å; L174-L211 HydrophobicContact CD1-CD2 3.88Å; L174-L211 HydrophobicContact CD1-CG 4.16Å; L175-L211 HydrophobicContact CD2-CD1 3.82Å; L175-L211 HydrophobicContact CG-CD1 4.27Å; L175-L211 HydrophobicContact CG-CD2 4.32Å; E207-L211 VanDerWaalsContact O-CG 3.32Å; E207-L211 WeakPolarHBondContact O-CG 3.49Å; E207-L211 PolarHBondContact O-N 2.8Å; E207-L211 VanDerWaalsContact O-N 3.15Å; I208-L211 PolarHBondContact O-N 2.81Å; L211-Q215 WeakPolarHBondContact O-CG 3.32Å; L211-Q215 PolarHBondContact O-N 3.16Å; L211-L221 HydrophobicContact CD2-CD1 4.17Å; L211-F229 HydrophobicContact CD1-CD2 4.26Å; L211-F240 HydrophobicContact CB-CE2 3.73Å; L211-F240 HydrophobicContact CB-CZ 3.77Å; L211-F240 HydrophobicContact CD1-CE2 4.46Å
212F95.3Very high95Very high56 Ų5636.2 Ų36.225%0.24620%0.198CC..Hα-helixtrans-66.4-45.8174.1178.9-144000112.1I208 D209 Q210 I214 Q215 K216 P241 V243I208-F212 WeakPolarHBondContact O-CB 3.23Å; I208-F212 PolarHBondContact O-N 2.91Å; D209-F212 PolarHBondContact O-N 3.07Å; Q210-F212 VanDerWaalsContact C-N 3.33Å; Q210-F212 PolarHBondContact O-N 3.25Å; F212-I214 PolarHBondContact O-N 3.23Å; F212-Q215 WeakPolarHBondContact O-CB 3.26Å; F212-Q215 PolarHBondContact O-N 2.97Å; F212-Q215 VanDerWaalsContact O-N 3.1Å; F212-K216 HydrophobicContact CD2-CG 4.36Å; F212-K216 HydrophobicContact CE2-CG 4.23Å; F212-K216 HydrophobicContact CZ-CG 4.49Å; F212-K216 WeakPolarHBondContact O-CG 3.47Å; F212-K216 PolarHBondContact O-N 2.94Å; F212-P241 HydrophobicContact CD1-CB 4.45Å; F212-P241 HydrophobicContact CD1-CG 4.31Å; F212-P241 HydrophobicContact CD2-CB 3.74Å; F212-P241 HydrophobicContact CD2-CG 4.25Å; F212-P241 HydrophobicContact CE1-CB 4.38Å; F212-P241 HydrophobicContact CE2-CB 3.67Å; F212-P241 HydrophobicContact CG-CB 4.15Å; F212-P241 HydrophobicContact CG-CG 4.16Å; F212-P241 HydrophobicContact CZ-CB 4.01Å; F212-V243 HydrophobicContact CD2-CG2 3.85Å; F212-V243 HydrophobicContact CE2-CG2 3.71Å
213T96.6Very high94.8Very high16 Ų1640 Ų4010%0.09823%0.229CC..Hα-helixtrans-67.6-33.1-179.7-670000112.4F202 D209 Q210 K216F202-T213 HydrophobicContact CB-CG2 4.44Å; D209-T213 WeakPolarHBondContact O-CB 3.41Å; D209-T213 PolarHBondContact O-N 3.42Å; D209-T213 PolarHBondContact O-OG1 2.99Å; D209-T213 PolarHBondContact OD1-OG1 3.03Å; D209-T213 PolarHBondContact OD2-OG1 3.48Å; Q210-T213 PolarHBondContact O-N 2.64Å; T213-K216 PolarHBondContact O-N 3.04Å; T213-K216 PolarHBondContact OG1-NZ 2.91Å
214I97.8Very high94.6Very high0 Ų042.5 Ų42.50%024%0.235CC..Hα-helixtrans-57.6-50.1166.8-71.9167.5000110.6L174 W186 F202 Q210 F212 K216 V217 L218 L271L174-I214 HydrophobicContact CD1-CD1 4.02Å; W186-I214 HydrophobicContact CH2-CG2 3.7Å; W186-I214 HydrophobicContact CZ2-CD1 3.79Å; W186-I214 HydrophobicContact CZ2-CG1 3.93Å; W186-I214 HydrophobicContact CZ2-CG2 3.91Å; F202-I214 HydrophobicContact CB-CG1 4.18Å; F202-I214 HydrophobicContact CD1-CB 4.4Å; F202-I214 HydrophobicContact CD1-CG1 3.93Å; F202-I214 HydrophobicContact CD2-CG1 4.09Å; F202-I214 HydrophobicContact CE1-CB 4.47Å; F202-I214 HydrophobicContact CE1-CG1 4.3Å; F202-I214 HydrophobicContact CE2-CG1 4.45Å; F202-I214 HydrophobicContact CG-CG1 3.82Å; Q210-I214 HydrophobicContact CG-CD1 4.27Å; Q210-I214 VanDerWaalsContact O-CG1 3.23Å; Q210-I214 WeakPolarHBondContact O-CG1 3.48Å; Q210-I214 PolarHBondContact O-N 2.91Å; F212-I214 PolarHBondContact O-N 3.23Å; I214-K216 PolarHBondContact O-N 3.18Å; I214-V217 PolarHBondContact O-N 3.28Å; I214-L218 HydrophobicContact CG2-CD1 4.1Å; I214-L218 PolarHBondContact O-N 3.36Å; I214-L271 HydrophobicContact CG2-CD2 3.75Å
215Q96.1Very high94.5Very high5 Ų542.7 Ų42.72%0.02324%0.235CC..Hα-helixtrans-67.1-32.9178.9-64.2178.6114.800113.7L211 F212 V217 L218 G219 L221 F240 V243L211-Q215 WeakPolarHBondContact O-CG 3.32Å; L211-Q215 PolarHBondContact O-N 3.16Å; F212-Q215 WeakPolarHBondContact O-CB 3.26Å; F212-Q215 PolarHBondContact O-N 2.97Å; F212-Q215 VanDerWaalsContact O-N 3.1Å; Q215-V217 PolarHBondContact O-N 3.03Å; Q215-V217 VanDerWaalsContact O-N 3.09Å; Q215-L218 PolarHBondContact O-N 3.15Å; Q215-G219 WeakPolarHBondContact CA-O 3.47Å; Q215-G219 VanDerWaalsContact CB-O 3.29Å; Q215-G219 WeakPolarHBondContact CB-O 3.42Å; Q215-G219 WeakPolarHBondContact CG-O 3.11Å; Q215-G219 PolarHBondContact O-N 2.96Å; Q215-L221 HydrophobicContact CG-CD2 3.96Å; Q215-L221 HydrophobicContact CG-CG 3.8Å; Q215-L221 VanDerWaalsContact OE1-N 3.07Å; Q215-F240 VanDerWaalsContact CD-CE1 3.47Å; Q215-V243 HydrophobicContact CB-CB 4.24Å; Q215-V243 HydrophobicContact CB-CG2 3.63Å
216K95.8Very high94.6Very high78 Ų7835.5 Ų35.534%0.33920%0.202SC..Hα-helixtrans-53.4-30175.5-71.3172.3-157.3152.50111.3D209 F212 T213 I214 P246 Q247D209-K216 IonicContact OD1-NZ 2.72Å; D209-K216 PolarHBondContact OD1-NZ 3.14Å; D209-K216 VanDerWaalsContact OD1-NZ 3.08Å; F212-K216 HydrophobicContact CD2-CG 4.36Å; F212-K216 HydrophobicContact CE2-CG 4.23Å; F212-K216 HydrophobicContact CZ-CG 4.49Å; F212-K216 WeakPolarHBondContact O-CG 3.47Å; F212-K216 PolarHBondContact O-N 2.94Å; T213-K216 PolarHBondContact O-N 3.04Å; T213-K216 PolarHBondContact OG1-NZ 2.91Å; I214-K216 PolarHBondContact O-N 3.18Å; K216-P246 CarbonylContact O-C 3.56Å; K216-P246 WeakPolarHBondContact O-CA 3.37Å; K216-Q247 PolarHBondContact O-N 3.4Å
217V97.1Very high94.6Very high6 Ų638 Ų384%0.03621%0.206CC..Hα-helixtrans-96.7-50.5174.9-167.80000111.9F202 I214 Q215 T248 L249F202-V217 HydrophobicContact CD1-CG2 4.29Å; F202-V217 HydrophobicContact CE1-CB 3.97Å; F202-V217 HydrophobicContact CE1-CG2 3.88Å; I214-V217 PolarHBondContact O-N 3.28Å; Q215-V217 PolarHBondContact O-N 3.03Å; Q215-V217 VanDerWaalsContact O-N 3.09Å; V217-T248 WeakPolarHBondContact O-CA 3.48Å; V217-T248 PolarHBondContact O-N 2.8Å; V217-L249 HydrophobicContact CG1-CD2 3.76Å; V217-L249 HydrophobicContact CG1-CG 4.31Å
218L97Very high94.7Very high41 Ų4139.3 Ų39.322%0.21521%0.214CC..Hα-helixtrans-93-8.1-165.2-57.6-175.9000115.7W186 F202 I214 Q215 L249 L269 L271W186-L218 HydrophobicContact CH2-CD1 3.48Å; W186-L218 VanDerWaalsContact CH2-CD1 3.48Å; W186-L218 HydrophobicContact CZ2-CD1 4.45Å; W186-L218 HydrophobicContact CZ3-CD1 3.96Å; F202-L218 HydrophobicContact CE1-CG 4.4Å; F202-L218 HydrophobicContact CZ-CD1 3.95Å; F202-L218 HydrophobicContact CZ-CG 4.12Å; I214-L218 HydrophobicContact CG2-CD1 4.1Å; I214-L218 PolarHBondContact O-N 3.36Å; Q215-L218 PolarHBondContact O-N 3.15Å; L218-L249 HydrophobicContact CD2-CD1 3.7Å; L218-L249 HydrophobicContact CD2-CD2 3.9Å; L218-L249 HydrophobicContact CD2-CG 3.59Å; L218-L269 HydrophobicContact CD1-CB 4.39Å; L218-L269 WeakPolarHBondContact CD1-O 3.18Å; L218-L271 HydrophobicContact CB-CD1 4.19Å; L218-L271 HydrophobicContact CB-CD2 4.34Å; L218-L271 HydrophobicContact CB-CG 4.33Å; L218-L271 HydrophobicContact CD1-CD2 3.79Å; L218-L271 HydrophobicContact CD1-CG 4.19Å
219G94.8Very high94.7Very high4 Ų437.6 Ų37.64%0.04121%0.205CC..  trans89.9-178.2-170.200000113Q215Q215-G219 WeakPolarHBondContact CA-O 3.47Å; Q215-G219 VanDerWaalsContact CB-O 3.29Å; Q215-G219 WeakPolarHBondContact CB-O 3.42Å; Q215-G219 WeakPolarHBondContact CG-O 3.11Å; Q215-G219 PolarHBondContact O-N 2.96Å
220P94.4Very high94.5Very high91 Ų9142 Ų4259%0.59122%0.22SC*.SBendtrans-65.1147.6-171.727.2-35.4000113
221L94.1Very high94.3Very high8 Ų847.7 Ų47.74%0.04225%0.25CC..PPolyproline II helixtrans-62.7143.6175.1-60.8-178.9000111.4P171 L211 Q215 Q225 M226 F240 L271P171-L221 HydrophobicContact CB-CD2 4.12Å; L211-L221 HydrophobicContact CD2-CD1 4.17Å; Q215-L221 HydrophobicContact CG-CD2 3.96Å; Q215-L221 HydrophobicContact CG-CG 3.8Å; Q215-L221 VanDerWaalsContact OE1-N 3.07Å; L221-Q225 HydrophobicContact CB-CB 4.21Å; L221-M226 HydrophobicContact CB-CG 4.08Å; L221-M226 HydrophobicContact CB-SD 4.01Å; L221-M226 HydrophobicContact CD1-SD 4.28Å; L221-F240 HydrophobicContact CD1-CE1 3.88Å; L221-F240 HydrophobicContact CD1-CZ 3.76Å; L221-F240 HydrophobicContact CG-CE1 4.34Å; L221-F240 HydrophobicContact CG-CZ 4.47Å; L221-L271 HydrophobicContact CD2-CD2 3.99Å
222P93.9Very high93.9Very high46 Ų4648.7 Ų48.730%0.29926%0.256SS..PPolyproline II helixtrans-50.7148.5172.9-28.934.6000113.4E224 Q225 M226 L271P222-E224 VanDerWaalsContact C-N 3.26Å; P222-E224 PolarHBondContact O-N 3.12Å; P222-E224 VanDerWaalsContact O-N 3.14Å; P222-Q225 WeakPolarHBondContact O-CA 3.47Å; P222-Q225 WeakPolarHBondContact O-CB 3.49Å; P222-Q225 PolarHBondContact O-N 3.39Å; P222-M226 PolarHBondContact O-N 3.15Å; P222-L271 HydrophobicContact CG-CB 3.92Å
223A93.7Very high93.6Very high81 Ų8151.5 Ų51.567%0.66928%0.279SS*.Hα-helixtrans-55.3-37.7-174.200000113.8M226 K227A223-M226 PolarHBondContact O-N 3.46Å; A223-K227 VanDerWaalsContact O-CB 3.29Å; A223-K227 WeakPolarHBondContact O-CB 3.29Å; A223-K227 PolarHBondContact O-N 3.45Å
224E92.5Very high93Very high111 Ų11155.4 Ų55.452%0.51929%0.292SS..Hα-helixtrans-69.6-34.2175.7-69.5-62.1133.800112.7P222 K227 L228P222-E224 VanDerWaalsContact C-N 3.26Å; P222-E224 PolarHBondContact O-N 3.12Å; P222-E224 VanDerWaalsContact O-N 3.14Å; E224-K227 PolarHBondContact O-N 2.63Å; E224-K227 IonicContact OE1-NZ 2.8Å; E224-K227 PolarHBondContact OE1-NZ 2.92Å; E224-K227 WeakPolarHBondContact OE2-CD 3.38Å; E224-K227 WeakPolarHBondContact OE2-CE 3.49Å; E224-K227 IonicContact OE2-NZ 3.91Å; E224-K227 PolarHBondContact OE2-NZ 2.89Å; E224-L228 WeakPolarHBondContact O-CB 3.14Å; E224-L228 WeakPolarHBondContact O-CD1 3.45Å; E224-L228 VanDerWaalsContact O-CG 3.28Å; E224-L228 WeakPolarHBondContact O-CG 3.29Å; E224-L228 PolarHBondContact O-N 3.22Å
225Q93.2Very high92.6Very high10 Ų1055.8 Ų55.85%0.04729%0.294CS..Hα-helixtrans-69.3-38.5172.2-76.4-178.76.200111.9L175 L221 P222 K227 L228 F229 L271L175-Q225 HydrophobicContact CD1-CB 3.58Å; L175-Q225 HydrophobicContact CD1-CG 3.83Å; L221-Q225 HydrophobicContact CB-CB 4.21Å; P222-Q225 WeakPolarHBondContact O-CA 3.47Å; P222-Q225 WeakPolarHBondContact O-CB 3.49Å; P222-Q225 PolarHBondContact O-N 3.39Å; Q225-K227 VanDerWaalsContact C-N 3.35Å; Q225-L228 WeakPolarHBondContact O-CB 3.3Å; Q225-L228 PolarHBondContact O-N 2.56Å; Q225-F229 PolarHBondContact O-N 3.34Å; Q225-L271 PolarHBondContact NE2-O 3.27Å
226M93.4Very high92.2Very high35 Ų3563.1 Ų63.117%0.17233%0.328CS..Hα-helixtrans-64.4-37.4171.4-74.9-55.7-4800112.9L221 P222 A223 F229 Y230 F240L221-M226 HydrophobicContact CB-CG 4.08Å; L221-M226 HydrophobicContact CB-SD 4.01Å; L221-M226 HydrophobicContact CD1-SD 4.28Å; P222-M226 PolarHBondContact O-N 3.15Å; A223-M226 PolarHBondContact O-N 3.46Å; M226-F229 WeakPolarHBondContact O-CB 3.28Å; M226-F229 PolarHBondContact O-N 3.48Å; M226-Y230 HydrophobicContact CE-CD2 4.4Å; M226-Y230 HydrophobicContact CE-CE2 3.54Å; M226-Y230 WeakPolarHBondContact O-CD2 3.22Å; M226-Y230 PolarHBondContact O-N 2.89Å; M226-Y230 VanDerWaalsContact O-N 3.16Å; M226-F240 HydrophobicContact CE-CB 4.23Å; M226-F240 HydrophobicContact CE-CD1 3.52Å; M226-F240 HydrophobicContact CE-CE1 4.17Å; M226-F240 HydrophobicContact CE-CG 4.19Å; M226-F240 HydrophobicContact SD-CD1 3.53Å; M226-F240 VanDerWaalsContact SD-CD1 3.53Å; M226-F240 HydrophobicContact SD-CE1 3.54Å; M226-F240 VanDerWaalsContact SD-CE1 3.54Å
227K92.7Very high91.7Very high104 Ų10462.8 Ų62.845%0.45235%0.346SS..Hα-helixtrans-67.6-39.8173.9173.9178161-151.40111.7A223 E224 Q225 Y230 N231A223-K227 VanDerWaalsContact O-CB 3.29Å; A223-K227 WeakPolarHBondContact O-CB 3.29Å; A223-K227 PolarHBondContact O-N 3.45Å; E224-K227 PolarHBondContact O-N 2.63Å; E224-K227 IonicContact OE1-NZ 2.8Å; E224-K227 PolarHBondContact OE1-NZ 2.92Å; E224-K227 WeakPolarHBondContact OE2-CD 3.38Å; E224-K227 WeakPolarHBondContact OE2-CE 3.49Å; E224-K227 IonicContact OE2-NZ 3.91Å; E224-K227 PolarHBondContact OE2-NZ 2.89Å; Q225-K227 VanDerWaalsContact C-N 3.35Å; K227-Y230 PolarHBondContact O-N 3.49Å; K227-N231 VanDerWaalsContact O-CB 3.27Å; K227-N231 WeakPolarHBondContact O-CB 3.48Å; K227-N231 PolarHBondContact O-N 3.07Å; K227-N231 PolarHBondContact O-ND2 3.46Å
228L91.3Very high91.3Very high60 Ų6065.7 Ų65.731%0.31436%0.361SS..Hα-helixtrans-60.9-42.1170.3-77156.6000111.6A177 E224 Q225 N231 N232A177-L228 HydrophobicContact CB-CD1 3.62Å; A177-L228 HydrophobicContact CB-CD2 4.15Å; A177-L228 HydrophobicContact CB-CG 4.45Å; E224-L228 WeakPolarHBondContact O-CB 3.14Å; E224-L228 WeakPolarHBondContact O-CD1 3.45Å; E224-L228 VanDerWaalsContact O-CG 3.28Å; E224-L228 WeakPolarHBondContact O-CG 3.29Å; E224-L228 PolarHBondContact O-N 3.22Å; Q225-L228 WeakPolarHBondContact O-CB 3.3Å; Q225-L228 PolarHBondContact O-N 2.56Å; L228-N231 PolarHBondContact O-N 3.43Å; L228-N232 VanDerWaalsContact O-CB 3.31Å; L228-N232 WeakPolarHBondContact O-CB 3.34Å; L228-N232 PolarHBondContact O-N 3.38Å
229F92.8Very high90.7Very high0 Ų074.8 Ų74.80%039%0.393CS..Hα-helixtrans-56.1-54.4175.2-179.5-88000112L175 I208 L211 Q225 M226 N231 N232 F235 I238 F240L175-F229 HydrophobicContact CD2-CB 3.71Å; L175-F229 HydrophobicContact CD2-CD2 3.94Å; L175-F229 HydrophobicContact CD2-CG 4.34Å; I208-F229 HydrophobicContact CD1-CE2 3.64Å; I208-F229 HydrophobicContact CD1-CZ 3.92Å; L211-F229 HydrophobicContact CD1-CD2 4.26Å; Q225-F229 PolarHBondContact O-N 3.34Å; M226-F229 WeakPolarHBondContact O-CB 3.28Å; M226-F229 PolarHBondContact O-N 3.48Å; F229-N231 VanDerWaalsContact C-N 3.31Å; F229-N231 PolarHBondContact O-N 2.73Å; F229-N232 PolarHBondContact O-N 3.34Å; F229-F235 HydrophobicContact CD1-CB 4.49Å; F229-F235 HydrophobicContact CD2-CB 4.18Å; F229-F235 AromaticContact CD2-CD2 3.58Å; F229-F235 HydrophobicContact CD2-CD2 3.58Å; F229-F235 HydrophobicContact CD2-CE2 4.21Å; F229-F235 AromaticContact CD2-CG 3.99Å; F229-F235 HydrophobicContact CD2-CG 3.99Å; F229-F235 HydrophobicContact CE1-CB 4.08Å; F229-F235 HydrophobicContact CE2-CB 3.77Å; F229-F235 HydrophobicContact CE2-CD1 4.34Å; F229-F235 AromaticContact CE2-CD2 3.8Å; F229-F235 HydrophobicContact CE2-CD2 3.8Å; F229-F235 AromaticContact CE2-CG 3.7Å; F229-F235 HydrophobicContact CE2-CG 3.7Å; F229-F235 HydrophobicContact CG-CD2 4.22Å; F229-F235 HydrophobicContact CZ-CB 3.71Å; F229-F235 HydrophobicContact CZ-CG 4.17Å; F229-I238 HydrophobicContact CZ-CB 4.34Å; F229-I238 HydrophobicContact CZ-CG2 4.22Å; F229-F240 HydrophobicContact CD1-CB 4.23Å; F229-F240 HydrophobicContact CD2-CD2 4.08Å; F229-F240 HydrophobicContact CD2-CE2 4.3Å; F229-F240 HydrophobicContact CE1-CB 3.74Å; F229-F240 HydrophobicContact CE1-CD2 4.19Å; F229-F240 HydrophobicContact CE1-CG 4.22Å; F229-F240 AromaticContact CE2-CD2 3.55Å; F229-F240 HydrophobicContact CE2-CD2 3.55Å; F229-F240 AromaticContact CE2-CE2 3.98Å; F229-F240 HydrophobicContact CE2-CE2 3.98Å; F229-F240 HydrophobicContact CE2-CG 4.31Å; F229-F240 HydrophobicContact CZ-CB 3.96Å; F229-F240 AromaticContact CZ-CD2 3.62Å; F229-F240 HydrophobicContact CZ-CD2 3.62Å; F229-F240 HydrophobicContact CZ-CE2 4.49Å; F229-F240 HydrophobicContact CZ-CG 4.11Å
230Y91.6Very high90.4Very high131 Ų13175.4 Ų75.451%0.51439%0.394SS..Hα-helixtrans-69.9-25-178.2-66.1-58.6000114.1M226 K227M226-Y230 HydrophobicContact CE-CD2 4.4Å; M226-Y230 HydrophobicContact CE-CE2 3.54Å; M226-Y230 WeakPolarHBondContact O-CD2 3.22Å; M226-Y230 PolarHBondContact O-N 2.89Å; M226-Y230 VanDerWaalsContact O-N 3.16Å; K227-Y230 PolarHBondContact O-N 3.49Å
231N90.7Very high89.8Confident118 Ų11873.2 Ų73.263%0.63138%0.38SS*.Hα-helixtrans-84.7-19176.7-70.6-18000113.4K227 L228 F229 P233K227-N231 VanDerWaalsContact O-CB 3.27Å; K227-N231 WeakPolarHBondContact O-CB 3.48Å; K227-N231 PolarHBondContact O-N 3.07Å; K227-N231 PolarHBondContact O-ND2 3.46Å; L228-N231 PolarHBondContact O-N 3.43Å; F229-N231 VanDerWaalsContact C-N 3.31Å; F229-N231 PolarHBondContact O-N 2.73Å; N231-P233 WeakPolarHBondContact O-CD 3.44Å
232N88.1Confident89.3Confident22 Ų2278.8 Ų78.812%0.11841%0.414CS..SBendtrans-75.9120.8-179-174.4-28.8000110.5L175 L228 F229 R234 F235L175-N232 PolarHBondContact O-ND2 3.34Å; L228-N232 VanDerWaalsContact O-CB 3.31Å; L228-N232 WeakPolarHBondContact O-CB 3.34Å; L228-N232 PolarHBondContact O-N 3.38Å; F229-N232 PolarHBondContact O-N 3.34Å; N232-R234 PolarHBondContact O-N 3.3Å; N232-R234 VanDerWaalsContact O-N 3.09Å; N232-R234 WeakPolarHBondContact OD1-CB 3.45Å; N232-R234 WeakPolarHBondContact OD1-CG 3.44Å; N232-R234 PolarHBondContact OD1-N 2.65Å; N232-F235 HydrophobicContact CB-CD2 3.86Å; N232-F235 HydrophobicContact CB-CE2 4.22Å; N232-F235 PolarHBondContact O-N 2.9Å
233P87.4Confident88.9Confident114 Ų11477.7 Ų77.774%0.7441%0.407SS*.G310 helixtrans-56.4-28-179.6-27.236.1000114.7N231 F235 H236N231-P233 WeakPolarHBondContact O-CD 3.44Å; P233-F235 PolarHBondContact O-N 3.06Å; P233-H236 WeakPolarHBondContact O-CB 3.48Å; P233-H236 PolarHBondContact O-N 3.39Å
234R85.3Confident88.3Confident98 Ų9878.9 Ų78.937%0.3741%0.406SS..G310 helixtrans-62.3-26.3177.9-62.7-179.9-173.6156.31.7113.5N232N232-R234 PolarHBondContact O-N 3.3Å; N232-R234 VanDerWaalsContact O-N 3.09Å; N232-R234 WeakPolarHBondContact OD1-CB 3.45Å; N232-R234 WeakPolarHBondContact OD1-CG 3.44Å; N232-R234 PolarHBondContact OD1-N 2.65Å
235F88.6Confident88.1Confident8 Ų881.3 Ų81.34%0.03542%0.417CS..G310 helixtrans-110.512.3-176.2-46.5-44.9000112.5L175 E207 I208 F229 N232 P233 G237 I238L175-F235 HydrophobicContact CD2-CE2 4.12Å; E207-F235 HydrophobicContact CB-CE1 4.28Å; I208-F235 HydrophobicContact CD1-CD1 3.58Å; I208-F235 HydrophobicContact CD1-CE1 4.01Å; I208-F235 HydrophobicContact CD1-CG 4.18Å; F229-F235 HydrophobicContact CD1-CB 4.49Å; F229-F235 HydrophobicContact CD2-CB 4.18Å; F229-F235 AromaticContact CD2-CD2 3.58Å; F229-F235 HydrophobicContact CD2-CD2 3.58Å; F229-F235 HydrophobicContact CD2-CE2 4.21Å; F229-F235 AromaticContact CD2-CG 3.99Å; F229-F235 HydrophobicContact CD2-CG 3.99Å; F229-F235 HydrophobicContact CE1-CB 4.08Å; F229-F235 HydrophobicContact CE2-CB 3.77Å; F229-F235 HydrophobicContact CE2-CD1 4.34Å; F229-F235 AromaticContact CE2-CD2 3.8Å; F229-F235 HydrophobicContact CE2-CD2 3.8Å; F229-F235 AromaticContact CE2-CG 3.7Å; F229-F235 HydrophobicContact CE2-CG 3.7Å; F229-F235 HydrophobicContact CG-CD2 4.22Å; F229-F235 HydrophobicContact CZ-CB 3.71Å; F229-F235 HydrophobicContact CZ-CG 4.17Å; N232-F235 HydrophobicContact CB-CD2 3.86Å; N232-F235 HydrophobicContact CB-CE2 4.22Å; N232-F235 PolarHBondContact O-N 2.9Å; P233-F235 PolarHBondContact O-N 3.06Å; F235-G237 PolarHBondContact O-N 3.11Å; F235-I238 WeakPolarHBondContact O-CB 3.32Å; F235-I238 PolarHBondContact O-N 3.32Å; F235-I238 VanDerWaalsContact O-N 3.08Å
236H88Confident88Confident159 Ų15982.7 Ų82.774%0.73643%0.427SS*.THydrogen-bonded Turntrans-61130.9-177.4-167.878.7000111.8P233 I238P233-H236 WeakPolarHBondContact O-CB 3.48Å; P233-H236 PolarHBondContact O-N 3.39Å; H236-I238 PolarHBondContact O-N 3.39Å
237G86Confident88Confident71 Ų7184.6 Ų84.673%0.73244%0.435SS*.THydrogen-bonded Turntrans79.5-14.3-176.300000115.3F235 R239F235-G237 PolarHBondContact O-N 3.11Å; G237-R239 PolarHBondContact O-N 3.14Å
238I88.1Confident88.2Confident67 Ų6782.1 Ų82.134%0.34443%0.429SS..  trans-74126.2177.5-55.3-176.6000109.5I208 F229 F235 H236I208-I238 HydrophobicContact CD1-CD1 3.88Å; I208-I238 HydrophobicContact CD1-CG2 4.13Å; I208-I238 HydrophobicContact CG1-CD1 4.08Å; I208-I238 HydrophobicContact CG1-CG2 4.35Å; I208-I238 HydrophobicContact CG2-CG2 4.41Å; F229-I238 HydrophobicContact CZ-CB 4.34Å; F229-I238 HydrophobicContact CZ-CG2 4.22Å; F235-I238 WeakPolarHBondContact O-CB 3.32Å; F235-I238 PolarHBondContact O-N 3.32Å; F235-I238 VanDerWaalsContact O-N 3.08Å; H236-I238 PolarHBondContact O-N 3.39Å
239R85.3Confident88.5Confident233 Ų23379.6 Ų79.688%0.87942%0.416SS*.  trans-85.1115.9169.7-71.4-172.8176.2-128.2-0.8109.4G237G237-R239 PolarHBondContact O-N 3.14Å
240F86.6Confident88.7Confident17 Ų1783.5 Ų83.58%0.07543%0.434CS..PPolyproline II helixtrans-71.9132.7180-162.6-124.2000111.2L211 Q215 L221 M226 F229L211-F240 HydrophobicContact CB-CE2 3.73Å; L211-F240 HydrophobicContact CB-CZ 3.77Å; L211-F240 HydrophobicContact CD1-CE2 4.46Å; Q215-F240 VanDerWaalsContact CD-CE1 3.47Å; L221-F240 HydrophobicContact CD1-CE1 3.88Å; L221-F240 HydrophobicContact CD1-CZ 3.76Å; L221-F240 HydrophobicContact CG-CE1 4.34Å; L221-F240 HydrophobicContact CG-CZ 4.47Å; M226-F240 HydrophobicContact CE-CB 4.23Å; M226-F240 HydrophobicContact CE-CD1 3.52Å; M226-F240 HydrophobicContact CE-CE1 4.17Å; M226-F240 HydrophobicContact CE-CG 4.19Å; M226-F240 HydrophobicContact SD-CD1 3.53Å; M226-F240 VanDerWaalsContact SD-CD1 3.53Å; M226-F240 HydrophobicContact SD-CE1 3.54Å; M226-F240 VanDerWaalsContact SD-CE1 3.54Å; F229-F240 HydrophobicContact CD1-CB 4.23Å; F229-F240 HydrophobicContact CD2-CD2 4.08Å; F229-F240 HydrophobicContact CD2-CE2 4.3Å; F229-F240 HydrophobicContact CE1-CB 3.74Å; F229-F240 HydrophobicContact CE1-CD2 4.19Å; F229-F240 HydrophobicContact CE1-CG 4.22Å; F229-F240 AromaticContact CE2-CD2 3.55Å; F229-F240 HydrophobicContact CE2-CD2 3.55Å; F229-F240 AromaticContact CE2-CE2 3.98Å; F229-F240 HydrophobicContact CE2-CE2 3.98Å; F229-F240 HydrophobicContact CE2-CG 4.31Å; F229-F240 HydrophobicContact CZ-CB 3.96Å; F229-F240 AromaticContact CZ-CD2 3.62Å; F229-F240 HydrophobicContact CZ-CD2 3.62Å; F229-F240 HydrophobicContact CZ-CE2 4.49Å; F229-F240 HydrophobicContact CZ-CG 4.11Å
241P83.7Confident88.9Confident45 Ų4585.2 Ų85.229%0.29244%0.439SS..PPolyproline II helixtrans-69.6131-179.1-20.232.9000113F212F212-P241 HydrophobicContact CD1-CB 4.45Å; F212-P241 HydrophobicContact CD1-CG 4.31Å; F212-P241 HydrophobicContact CD2-CB 3.74Å; F212-P241 HydrophobicContact CD2-CG 4.25Å; F212-P241 HydrophobicContact CE1-CB 4.38Å; F212-P241 HydrophobicContact CE2-CB 3.67Å; F212-P241 HydrophobicContact CG-CB 4.15Å; F212-P241 HydrophobicContact CG-CG 4.16Å; F212-P241 HydrophobicContact CZ-CB 4.01Å
242T81.7Confident89.2Confident124 Ų12482.1 Ų82.176%0.76142%0.419SS*.PPolyproline II helixtrans-77.6125.3175.2-48.20000111.2
243V86.3Confident89.6Confident23 Ų2381 Ų8114%0.13941%0.413CS..PPolyproline II helixtrans-90.7121.5167176.70000109.4F212 Q215 P246F212-V243 HydrophobicContact CD2-CG2 3.85Å; F212-V243 HydrophobicContact CE2-CG2 3.71Å; Q215-V243 HydrophobicContact CB-CB 4.24Å; Q215-V243 HydrophobicContact CB-CG2 3.63Å; V243-P246 HydrophobicContact CG1-CB 4.31Å
244T81.7Confident90Very high107 Ų10783 Ų8366%0.65641%0.413SS*.SBendtrans-97.2-31.8178.251.10000113.3
245H87.2Confident90.4Very high162 Ų16282.4 Ų82.475%0.7544%0.437SS*.SBendtrans-134.487.2-175.9-61.187.1000109.5
246P92.2Very high90.8Very high39 Ų3985.9 Ų85.925%0.25346%0.455SS..  trans-67150.4175.328.4-34000111.4K216 V243 T248K216-P246 CarbonylContact O-C 3.56Å; K216-P246 WeakPolarHBondContact O-CA 3.37Å; V243-P246 HydrophobicContact CG1-CB 4.31Å; P246-T248 VanDerWaalsContact C-N 3.34Å
247Q94Very high91.1Very high74 Ų7479.2 Ų79.235%0.34642%0.424SS..  trans-65.1-39.9176.2-172.6179.816.200111.5K216 R251 R252K216-Q247 PolarHBondContact O-N 3.4Å; Q247-R251 HydrophobicContact CG-CB 4.49Å; Q247-R251 WeakPolarHBondContact O-CB 3.45Å; Q247-R252 HydrophobicContact CG-CB 4.47Å
248T96.1Very high91.6Very high52 Ų5278.7 Ų78.732%0.31941%0.409SS..  trans66.3150-163.3103.40000114.7V217 P246 E250 R251 R252V217-T248 WeakPolarHBondContact O-CA 3.48Å; V217-T248 PolarHBondContact O-N 2.8Å; P246-T248 VanDerWaalsContact C-N 3.34Å; T248-E250 VanDerWaalsContact C-N 3.29Å; T248-E250 WeakPolarHBondContact CB-OE2 3.31Å; T248-E250 PolarHBondContact OG1-N 3Å; T248-E250 PolarHBondContact OG1-OE2 3.13Å; T248-R251 PolarHBondContact O-N 3.47Å; T248-R251 PolarHBondContact OG1-N 3.05Å; T248-R252 PolarHBondContact O-N 2.82Å; T248-R252 VanDerWaalsContact O-N 3.15Å
249L97.6Very high92Very high8 Ų878.2 Ų78.24%0.04242%0.421CS..Hα-helixtrans-66.9-34.2178.3-66.9173000111.3L201 V217 L218 R252 Y253 L262 M265 K266 L269L201-L249 HydrophobicContact CD1-CD2 4.39Å; L201-L249 HydrophobicContact CD2-CD2 4.27Å; V217-L249 HydrophobicContact CG1-CD2 3.76Å; V217-L249 HydrophobicContact CG1-CG 4.31Å; L218-L249 HydrophobicContact CD2-CD1 3.7Å; L218-L249 HydrophobicContact CD2-CD2 3.9Å; L218-L249 HydrophobicContact CD2-CG 3.59Å; L249-R252 PolarHBondContact O-N 3.28Å; L249-Y253 HydrophobicContact CD2-CD2 4.49Å; L249-Y253 HydrophobicContact CD2-CE2 4.3Å; L249-Y253 PolarHBondContact O-N 3.32Å; L249-L262 HydrophobicContact CB-CD1 4.09Å; L249-M265 HydrophobicContact CB-SD 4.49Å; L249-M265 HydrophobicContact CD1-CG 4.25Å; L249-M265 HydrophobicContact CD1-SD 4.11Å; L249-M265 HydrophobicContact CD2-SD 3.85Å; L249-M265 HydrophobicContact CG-SD 4.38Å; L249-K266 HydrophobicContact CD1-CG 4.07Å; L249-L269 HydrophobicContact CD1-CB 4.2Å; L249-L269 HydrophobicContact CD1-CD1 3.99Å; L249-L269 HydrophobicContact CD2-CD1 4.05Å
250E97Very high92.6Very high82 Ų8271.4 Ų71.438%0.38340%0.401SS..Hα-helixtrans-58-50.1176.1-6084172.300111.3T248 Q254 K266T248-E250 VanDerWaalsContact C-N 3.29Å; T248-E250 WeakPolarHBondContact CB-OE2 3.31Å; T248-E250 PolarHBondContact OG1-N 3Å; T248-E250 PolarHBondContact OG1-OE2 3.13Å; E250-Q254 WeakPolarHBondContact O-CB 3.44Å; E250-Q254 PolarHBondContact O-N 2.93Å; E250-K266 WeakPolarHBondContact OE1-CE 3.15Å; E250-K266 IonicContact OE1-NZ 3.13Å; E250-K266 PolarHBondContact OE1-NZ 3.19Å
251R96.3Very high93.2Very high166 Ų16671 Ų7163%0.62640%0.4SS*.Hα-helixtrans-69.6-34.9178.9-170.6-179.1-73.5163.2-2.4112.1Q247 T248Q247-R251 HydrophobicContact CG-CB 4.49Å; Q247-R251 WeakPolarHBondContact O-CB 3.45Å; T248-R251 PolarHBondContact O-N 3.47Å; T248-R251 PolarHBondContact OG1-N 3.05Å
252R96.3Very high93.9Very high53 Ų5369.9 Ų69.920%0.239%0.391CS..Hα-helixtrans-65.7-46.4177.8-178.3174.2174127.8-0.8111.7D197 Q247 T248 L249D197-R252 IonicContact OD1-NH2 3.21Å; D197-R252 IonicContact OD2-CZ 2.72Å; D197-R252 IonicContact OD2-NE 3.8Å; D197-R252 PolarHBondContact OD2-NE 3.25Å; D197-R252 VanDerWaalsContact OD2-NE 3.11Å; D197-R252 IonicContact OD2-NH2 2.7Å; D197-R252 PolarHBondContact OD2-NH2 3Å; Q247-R252 HydrophobicContact CG-CB 4.47Å; T248-R252 PolarHBondContact O-N 2.82Å; T248-R252 VanDerWaalsContact O-N 3.15Å; L249-R252 PolarHBondContact O-N 3.28Å
253Y97Very high94.7Very high0 Ų067.7 Ų67.70%038%0.375CS..Hα-helixtrans-101.510.8-171.9-69.3-70.9000114.3G193 D197 L201 L249 G255 I256 M257 M265G193-Y253 WeakPolarHBondContact CA-OH 3.24Å; G193-Y253 PolarHBondContact O-OH 3.41Å; D197-Y253 HydrophobicContact CB-CE1 4.11Å; D197-Y253 WeakPolarHBondContact OD2-CE1 3.03Å; D197-Y253 PolarHBondContact OD2-OH 2.84Å; D197-Y253 VanDerWaalsContact OD2-OH 3.08Å; L201-Y253 HydrophobicContact CD1-CE2 4.04Å; L249-Y253 HydrophobicContact CD2-CD2 4.49Å; L249-Y253 HydrophobicContact CD2-CE2 4.3Å; L249-Y253 PolarHBondContact O-N 3.32Å; Y253-G255 PolarHBondContact O-N 3.35Å; Y253-I256 HydrophobicContact CD1-CB 4.28Å; Y253-I256 HydrophobicContact CD1-CD1 4.39Å; Y253-I256 HydrophobicContact CD1-CG2 4.18Å; Y253-I256 PolarHBondContact O-N 2.86Å; Y253-M257 HydrophobicContact CD1-CE 4.33Å; Y253-M257 PolarHBondContact O-N 2.88Å; Y253-M265 HydrophobicContact CD2-CE 3.84Å; Y253-M265 HydrophobicContact CD2-SD 3.73Å; Y253-M265 HydrophobicContact CE1-CE 4.47Å; Y253-M265 HydrophobicContact CE2-CE 3.65Å; Y253-M265 HydrophobicContact CE2-SD 3.68Å; Y253-M265 HydrophobicContact CG-CE 4.35Å
254Q95.9Very high95.2Very high156 Ų15666.6 Ų66.673%0.72937%0.368SS*.THydrogen-bonded Turntrans-57.1120.3175.2-173.5169.1-5.100110.9E250 I256E250-Q254 WeakPolarHBondContact O-CB 3.44Å; E250-Q254 PolarHBondContact O-N 2.93Å; Q254-I256 PolarHBondContact O-N 3.32Å
255G93.9Very high96.1Very high85 Ų8561.5 Ų61.588%0.87634%0.337SS*.THydrogen-bonded Turntrans78.8-15.3-177.500000115.2Y253Y253-G255 PolarHBondContact O-N 3.35Å
256I95.8Very high96.6Very high80 Ų8057 Ų5741%0.4132%0.315SS..THydrogen-bonded Turntrans-86.3-46.4174.7-54-180000110.3S196 D197 Y253 Q254S196-I256 WeakPolarHBondContact O-CG2 3.43Å; D197-I256 HydrophobicContact CB-CD1 4.11Å; D197-I256 HydrophobicContact CB-CG2 4.38Å; Y253-I256 HydrophobicContact CD1-CB 4.28Å; Y253-I256 HydrophobicContact CD1-CD1 4.39Å; Y253-I256 HydrophobicContact CD1-CG2 4.18Å; Y253-I256 PolarHBondContact O-N 2.86Å; Q254-I256 PolarHBondContact O-N 3.32Å
257M94.7Very high96.9Very high20 Ų2055.8 Ų55.810%0.09931%0.308CS..SBendtrans-114.7133.7-170-170166.8-67.400112.7L192 S196 Y253 M261 L262 M265L192-M257 HydrophobicContact CD1-CE 4.03Å; L192-M257 HydrophobicContact CG-CE 4.17Å; S196-M257 VanDerWaalsContact CB-CE 3.49Å; S196-M257 WeakPolarHBondContact OG-CE 3.49Å; Y253-M257 HydrophobicContact CD1-CE 4.33Å; Y253-M257 PolarHBondContact O-N 2.88Å; M257-M261 HydrophobicContact CG-CB 3.57Å; M257-M261 HydrophobicContact SD-CB 3.75Å; M257-L262 HydrophobicContact CB-CB 4.47Å; M257-L262 HydrophobicContact CG-CB 4.07Å; M257-L262 VanDerWaalsContact SD-CA 3.57Å; M257-L262 HydrophobicContact SD-CB 4.04Å; M257-L262 PolarHBondContact SD-N 3.37Å; M257-L262 VanDerWaalsContact SD-N 3.38Å; M257-M265 HydrophobicContact CE-CE 3.38Å; M257-M265 HydrophobicContact SD-CE 3.69Å
258S95.8Very high97.1Very high60 Ų6052.2 Ų52.242%0.4229%0.291SS..  trans-61.1143.1170.571.30000111.6L260 M261 L262S258-L260 PolarHBondContact O-N 3.11Å; S258-L260 VanDerWaalsContact O-N 3.08Å; S258-M261 PolarHBondContact O-N 3.41Å; S258-M261 WeakPolarHBondContact OG-CG 3.46Å; S258-L262 PolarHBondContact O-N 2.99Å
259G97.4Very high97.2Very high56 Ų5650 Ų5058%0.57728%0.277SS*.Hα-helixtrans-52.5-36.7-174.200000114.8L262 D263G259-L262 PolarHBondContact O-N 3.09Å; G259-D263 VanDerWaalsContact O-CB 3.32Å; G259-D263 WeakPolarHBondContact O-CB 3.34Å; G259-D263 PolarHBondContact O-N 3.24Å
260L97.6Very high97.3Very high90 Ų9052.4 Ų52.447%0.47129%0.29SS..Hα-helixtrans-70.5-34.4177.7-62.2-179.4000113.6S258 L264 H285 P286 A287S258-L260 PolarHBondContact O-N 3.11Å; S258-L260 VanDerWaalsContact O-N 3.08Å; L260-L264 PolarHBondContact O-N 3.07Å; L260-H285 PolarHBondContact O-CE1 2.91Å; L260-P286 HydrophobicContact CD1-CB 4.38Å; L260-P286 HydrophobicContact CD2-CB 4.3Å; L260-A287 HydrophobicContact CB-CB 4.22Å
261M98.1Very high97.3Very high10 Ų1049.7 Ų49.75%0.04928%0.278CS..Hα-helixtrans-74-35.7174.8-64.6-62.3-5700110.6R104 L192 M257 S258 L264 M265 A287 F288R104-M261 HydrophobicContact CB-CE 4.44Å; R104-M261 HydrophobicContact CB-SD 4.3Å; R104-M261 HydrophobicContact CG-SD 4.03Å; L192-M261 HydrophobicContact CD1-CE 3.44Å; L192-M261 VanDerWaalsContact CD1-CE 3.44Å; L192-M261 HydrophobicContact CD2-CE 4.41Å; M257-M261 HydrophobicContact CG-CB 3.57Å; M257-M261 HydrophobicContact SD-CB 3.75Å; S258-M261 PolarHBondContact O-N 3.41Å; S258-M261 WeakPolarHBondContact OG-CG 3.46Å; M261-L264 PolarHBondContact O-N 2.92Å; M261-M265 PolarHBondContact O-N 3.34Å; M261-A287 HydrophobicContact SD-CB 3.81Å; M261-F288 HydrophobicContact CE-CE1 4.49Å
262L98.5Very high97.2Very high21 Ų2144 Ų4411%0.1126%0.259CS..Hα-helixtrans-67.8-39.7176.1176.760.8000111.9L249 M257 S258 G259 M265 K266L249-L262 HydrophobicContact CB-CD1 4.09Å; M257-L262 HydrophobicContact CB-CB 4.47Å; M257-L262 HydrophobicContact CG-CB 4.07Å; M257-L262 VanDerWaalsContact SD-CA 3.57Å; M257-L262 HydrophobicContact SD-CB 4.04Å; M257-L262 PolarHBondContact SD-N 3.37Å; M257-L262 VanDerWaalsContact SD-N 3.38Å; S258-L262 PolarHBondContact O-N 2.99Å; G259-L262 PolarHBondContact O-N 3.09Å; L262-M265 HydrophobicContact CD1-SD 4.38Å; L262-M265 WeakPolarHBondContact O-CB 3.13Å; L262-M265 PolarHBondContact O-N 3.43Å; L262-K266 WeakPolarHBondContact O-CG 3.43Å; L262-K266 PolarHBondContact O-N 3.43Å
263D98.5Very high97.2Very high77 Ų7743.1 Ų43.141%0.41226%0.261SS..Hα-helixtrans-62.2-44.9174.6-168.850000112G259 M265 K266 S267 H285G259-D263 VanDerWaalsContact O-CB 3.32Å; G259-D263 WeakPolarHBondContact O-CB 3.34Å; G259-D263 PolarHBondContact O-N 3.24Å; D263-M265 VanDerWaalsContact C-N 3.34Å; D263-M265 PolarHBondContact O-N 2.8Å; D263-K266 PolarHBondContact O-N 3.07Å; D263-S267 PolarHBondContact O-N 3.2Å; D263-S267 VanDerWaalsContact O-N 3.09Å; D263-S267 PolarHBondContact O-OG 3.44Å; D263-H285 IonicContact OD2-CE1 2.8Å; D263-H285 IonicContact OD2-NE2 3.52Å; D263-H285 PolarHBondContact OD2-NE2 3.38Å
264L98.6Very high97.1Very high0 Ų048.9 Ų48.90%030%0.296CS..Hα-helixtrans-60-42.4171.8178.964.5000112L260 M261 S267 M268 C282 H285 A287 F288L260-L264 PolarHBondContact O-N 3.07Å; M261-L264 PolarHBondContact O-N 2.92Å; L264-S267 PolarHBondContact O-N 3.4Å; L264-M268 HydrophobicContact CD1-CE 4.49Å; L264-M268 HydrophobicContact CD1-SD 4.39Å; L264-M268 HydrophobicContact CD2-CE 4.42Å; L264-M268 HydrophobicContact CG-CE 3.94Å; L264-M268 HydrophobicContact CG-SD 4.46Å; L264-M268 WeakPolarHBondContact O-CG 3.44Å; L264-M268 PolarHBondContact O-N 3.09Å; L264-M268 VanDerWaalsContact O-N 3.11Å; L264-C282 HydrophobicContact CD1-CB 3.94Å; L264-H285 HydrophobicContact CD1-CB 4.01Å; L264-A287 HydrophobicContact CD2-CB 4.18Å; L264-F288 HydrophobicContact CD2-CD2 4.45Å; L264-F288 HydrophobicContact CD2-CE1 4.23Å; L264-F288 HydrophobicContact CD2-CE2 3.43Å; L264-F288 VanDerWaalsContact CD2-CE2 3.43Å; L264-F288 HydrophobicContact CD2-CZ 3.29Å
265M98.7Very high97.2Very high0 Ų047 Ų470%029%0.287CS..Hα-helixtrans-59.4-48.1176-179.2-167-75.300111.5L192 G193 L249 Y253 M257 M261 L262 D263 S267 M268 L269L192-M265 HydrophobicContact CD2-CB 3.77Å; L192-M265 HydrophobicContact CD2-CG 4.46Å; L192-M265 HydrophobicContact CG-CB 4.45Å; L192-M265 HydrophobicContact CG-CE 4.06Å; G193-M265 VanDerWaalsContact CA-CE 3.41Å; L249-M265 HydrophobicContact CB-SD 4.49Å; L249-M265 HydrophobicContact CD1-CG 4.25Å; L249-M265 HydrophobicContact CD1-SD 4.11Å; L249-M265 HydrophobicContact CD2-SD 3.85Å; L249-M265 HydrophobicContact CG-SD 4.38Å; Y253-M265 HydrophobicContact CD2-CE 3.84Å; Y253-M265 HydrophobicContact CD2-SD 3.73Å; Y253-M265 HydrophobicContact CE1-CE 4.47Å; Y253-M265 HydrophobicContact CE2-CE 3.65Å; Y253-M265 HydrophobicContact CE2-SD 3.68Å; Y253-M265 HydrophobicContact CG-CE 4.35Å; M257-M265 HydrophobicContact CE-CE 3.38Å; M257-M265 HydrophobicContact SD-CE 3.69Å; M261-M265 PolarHBondContact O-N 3.34Å; L262-M265 HydrophobicContact CD1-SD 4.38Å; L262-M265 WeakPolarHBondContact O-CB 3.13Å; L262-M265 PolarHBondContact O-N 3.43Å; D263-M265 VanDerWaalsContact C-N 3.34Å; D263-M265 PolarHBondContact O-N 2.8Å; M265-S267 VanDerWaalsContact C-N 3.3Å; M265-S267 PolarHBondContact O-N 2.97Å; M265-M268 CarbonylContact O-C 3.59Å; M265-M268 PolarHBondContact O-N 2.91Å; M265-M268 VanDerWaalsContact O-N 3.11Å; M265-L269 HydrophobicContact CG-CD1 3.72Å; M265-L269 HydrophobicContact CG-CG 4.29Å; M265-L269 WeakPolarHBondContact O-CB 3.1Å; M265-L269 PolarHBondContact O-N 3.37Å; M265-L269 HydrophobicContact SD-CD1 4.22Å
266K98.6Very high97.4Very high67 Ų6743.2 Ų43.229%0.29125%0.247SC..Hα-helixtrans-56.5-47.1177.6-66.9177.7-157.1-170.70110.9L249 E250 L262 D263 M268 L269 L270L249-K266 HydrophobicContact CD1-CG 4.07Å; E250-K266 WeakPolarHBondContact OE1-CE 3.15Å; E250-K266 IonicContact OE1-NZ 3.13Å; E250-K266 PolarHBondContact OE1-NZ 3.19Å; L262-K266 WeakPolarHBondContact O-CG 3.43Å; L262-K266 PolarHBondContact O-N 3.43Å; D263-K266 PolarHBondContact O-N 3.07Å; K266-M268 PolarHBondContact O-N 2.97Å; K266-L269 CarbonylContact O-C 3.46Å; K266-L269 PolarHBondContact O-N 3.37Å; K266-L270 WeakPolarHBondContact O-CG 3.32Å; K266-L270 PolarHBondContact O-N 3.36Å; K266-L270 VanDerWaalsContact O-N 3.11Å
267S98.5Very high97.5Very high14 Ų1442.2 Ų42.210%0.09824%0.24CC..Hα-helixtrans-59.1-31.3178.9-56.50000113.3D263 L264 M265 R276 F277D263-S267 PolarHBondContact O-N 3.2Å; D263-S267 VanDerWaalsContact O-N 3.09Å; D263-S267 PolarHBondContact O-OG 3.44Å; L264-S267 PolarHBondContact O-N 3.4Å; M265-S267 VanDerWaalsContact C-N 3.3Å; M265-S267 PolarHBondContact O-N 2.97Å; S267-R276 WeakPolarHBondContact O-CA 3.38Å; S267-F277 PolarHBondContact O-N 2.74Å
268M98.6Very high97.7Very high0 Ų044.3 Ų44.30%025%0.251CS..Hα-helixtrans-87.7-19.7175.5-67.4-172.6-5400114I111 M185 V188 L192 L264 M265 K266 R276I111-M268 HydrophobicContact CD1-SD 4.33Å; M185-M268 HydrophobicContact CE-CG 4.33Å; M185-M268 HydrophobicContact CE-SD 3.98Å; V188-M268 HydrophobicContact CB-CE 4.41Å; V188-M268 HydrophobicContact CB-SD 3.99Å; V188-M268 HydrophobicContact CG1-CE 3.8Å; V188-M268 HydrophobicContact CG1-SD 3.65Å; L192-M268 HydrophobicContact CB-CE 4.49Å; L192-M268 HydrophobicContact CD2-CE 3.62Å; L264-M268 HydrophobicContact CD1-CE 4.49Å; L264-M268 HydrophobicContact CD1-SD 4.39Å; L264-M268 HydrophobicContact CD2-CE 4.42Å; L264-M268 HydrophobicContact CG-CE 3.94Å; L264-M268 HydrophobicContact CG-SD 4.46Å; L264-M268 WeakPolarHBondContact O-CG 3.44Å; L264-M268 PolarHBondContact O-N 3.09Å; L264-M268 VanDerWaalsContact O-N 3.11Å; M265-M268 CarbonylContact O-C 3.59Å; M265-M268 PolarHBondContact O-N 2.91Å; M265-M268 VanDerWaalsContact O-N 3.11Å; K266-M268 PolarHBondContact O-N 2.97Å; M268-R276 WeakPolarHBondContact O-CD 3.22Å; M268-R276 VanDerWaalsContact O-CG 3.29Å; M268-R276 WeakPolarHBondContact O-CG 3.23Å
269L98.6Very high97.8Very high4 Ų441.9 Ų41.92%0.02123%0.233CC..SBendtrans-105.218.8178.9-66.5-177.4000113.8W186 L201 F202 L218 L249 M265 K266 L271W186-L269 HydrophobicContact CD2-CD2 3.86Å; W186-L269 HydrophobicContact CE3-CD2 3.91Å; W186-L269 HydrophobicContact CG-CD2 4.33Å; W186-L269 HydrophobicContact CZ2-CD2 4.43Å; W186-L269 HydrophobicContact CZ3-CB 4.46Å; W186-L269 HydrophobicContact CZ3-CD2 4.26Å; W186-L269 WeakPolarHBondContact CZ3-O 3.14Å; L201-L269 HydrophobicContact CD2-CD1 3.45Å; L201-L269 VanDerWaalsContact CD2-CD1 3.45Å; F202-L269 HydrophobicContact CE2-CD1 4.39Å; F202-L269 HydrophobicContact CE2-CD2 4.2Å; F202-L269 HydrophobicContact CZ-CD1 4.38Å; L218-L269 HydrophobicContact CD1-CB 4.39Å; L218-L269 WeakPolarHBondContact CD1-O 3.18Å; L249-L269 HydrophobicContact CD1-CB 4.2Å; L249-L269 HydrophobicContact CD1-CD1 3.99Å; L249-L269 HydrophobicContact CD2-CD1 4.05Å; M265-L269 HydrophobicContact CG-CD1 3.72Å; M265-L269 HydrophobicContact CG-CG 4.29Å; M265-L269 WeakPolarHBondContact O-CB 3.1Å; M265-L269 PolarHBondContact O-N 3.37Å; M265-L269 HydrophobicContact SD-CD1 4.22Å; K266-L269 CarbonylContact O-C 3.46Å; K266-L269 PolarHBondContact O-N 3.37Å; L269-L271 PolarHBondContact O-N 3Å
270L98Very high97.8Very high60 Ų6044 Ų4431%0.31423%0.228SC..  trans-60.6127.5169.5-68.2177.8000110.4K266 N272 E275 R276K266-L270 WeakPolarHBondContact O-CG 3.32Å; K266-L270 PolarHBondContact O-N 3.36Å; K266-L270 VanDerWaalsContact O-N 3.11Å; L270-N272 VanDerWaalsContact C-N 3.3Å; L270-N272 PolarHBondContact O-N 2.64Å; L270-E275 HydrophobicContact CD1-CB 3.87Å; L270-E275 WeakPolarHBondContact CD1-O 3.44Å; L270-R276 HydrophobicContact CB-CB 4.27Å; L270-R276 PolarHBondContact O-NE 2.78Å; L270-R276 PolarHBondContact O-NH2 2.85Å
271L97.3Very high97.8Very high24 Ų2444.2 Ų44.213%0.12623%0.227CC..SBendtrans-63.1-36.7-177.9-70.2171.7000111.6P171 W186 I214 L218 L221 P222 Q225 L269 P273 R276P171-L271 HydrophobicContact CG-CD2 4.15Å; W186-L271 HydrophobicContact CH2-CD2 3.9Å; W186-L271 HydrophobicContact CZ3-CD2 4.13Å; I214-L271 HydrophobicContact CG2-CD2 3.75Å; L218-L271 HydrophobicContact CB-CD1 4.19Å; L218-L271 HydrophobicContact CB-CD2 4.34Å; L218-L271 HydrophobicContact CB-CG 4.33Å; L218-L271 HydrophobicContact CD1-CD2 3.79Å; L218-L271 HydrophobicContact CD1-CG 4.19Å; L221-L271 HydrophobicContact CD2-CD2 3.99Å; P222-L271 HydrophobicContact CG-CB 3.92Å; Q225-L271 PolarHBondContact NE2-O 3.27Å; L269-L271 PolarHBondContact O-N 3Å; L271-P273 WeakPolarHBondContact O-CD 3.47Å; L271-R276 PolarHBondContact O-NH2 3.37Å
272N95.7Very high97.8Very high46 Ų4643.7 Ų43.725%0.24622%0.224CC..SBendtrans-77.6115.8171.7-175.23.8000110.6L270 T274 E275 R276L270-N272 VanDerWaalsContact C-N 3.3Å; L270-N272 PolarHBondContact O-N 2.64Å; N272-T274 PolarHBondContact ND2-OG1 3.38Å; N272-T274 PolarHBondContact O-N 3.35Å; N272-T274 PolarHBondContact OD1-N 3.07Å; N272-T274 VanDerWaalsContact OD1-N 3.16Å; N272-T274 PolarHBondContact OD1-OG1 3.05Å; N272-T274 VanDerWaalsContact OD1-OG1 3.13Å; N272-E275 HydrophobicContact CB-CB 4.43Å; N272-E275 HydrophobicContact CB-CG 4.28Å; N272-E275 VanDerWaalsContact ND2-CD 3.34Å; N272-E275 PolarHBondContact ND2-OE1 3.08Å; N272-E275 PolarHBondContact O-N 2.96Å; N272-R276 PolarHBondContact O-N 2.97Å
273P95.8Very high97.8Very high35 Ų3543.8 Ų43.823%0.22723%0.225CC..THydrogen-bonded Turntrans-65.4-16.3179.827.3-36.6000114.6E172 A182 L271E172-P273 HydrophobicContact CB-CG 4.38Å; E172-P273 HydrophobicContact CG-CB 4.23Å; E172-P273 HydrophobicContact CG-CG 4.04Å; A182-P273 HydrophobicContact CB-CB 3.83Å; A182-P273 VanDerWaalsContact CB-O 3.28Å; A182-P273 WeakPolarHBondContact CB-O 3.4Å; L271-P273 WeakPolarHBondContact O-CD 3.47Å
274T95.6Very high97.8Very high121 Ų12145.4 Ų45.474%0.74223%0.233SC*.THydrogen-bonded Turntrans-82.7-18.1177.1660000113.8N272N272-T274 PolarHBondContact ND2-OG1 3.38Å; N272-T274 PolarHBondContact O-N 3.35Å; N272-T274 PolarHBondContact OD1-N 3.07Å; N272-T274 VanDerWaalsContact OD1-N 3.16Å; N272-T274 PolarHBondContact OD1-OG1 3.05Å; N272-T274 VanDerWaalsContact OD1-OG1 3.13Å
275E96.1Very high97.7Very high117 Ų11746 Ų4655%0.54724%0.236SC..THydrogen-bonded Turntrans-96.7-23.3178.3-66.6159.8-153.300111.7L270 N272 F277L270-E275 HydrophobicContact CD1-CB 3.87Å; L270-E275 WeakPolarHBondContact CD1-O 3.44Å; N272-E275 HydrophobicContact CB-CB 4.43Å; N272-E275 HydrophobicContact CB-CG 4.28Å; N272-E275 VanDerWaalsContact ND2-CD 3.34Å; N272-E275 PolarHBondContact ND2-OE1 3.08Å; N272-E275 PolarHBondContact O-N 2.96Å; E275-F277 PolarHBondContact O-N 2.94Å
276R97.9Very high97.7Very high5 Ų549 Ų492%0.01926%0.256CS..SBendtrans-59.2129.2-179.3-164.2-177.9-60.6149.55.9111.4E172 A182 S267 M268 L270 L271 N272 L278E172-R276 IonicContact OE1-CZ 3.79Å; E172-R276 IonicContact OE1-NH1 3.41Å; E172-R276 PolarHBondContact OE1-NH1 2.8Å; E172-R276 IonicContact OE1-NH2 3.11Å; E172-R276 IonicContact OE2-CZ 2.7Å; E172-R276 IonicContact OE2-NH1 2.73Å; E172-R276 IonicContact OE2-NH2 3.34Å; E172-R276 PolarHBondContact OE2-NH2 3.39Å; A182-R276 WeakPolarHBondContact O-CD 3.45Å; A182-R276 PolarHBondContact O-NH1 3.08Å; S267-R276 WeakPolarHBondContact O-CA 3.38Å; M268-R276 WeakPolarHBondContact O-CD 3.22Å; M268-R276 VanDerWaalsContact O-CG 3.29Å; M268-R276 WeakPolarHBondContact O-CG 3.23Å; L270-R276 HydrophobicContact CB-CB 4.27Å; L270-R276 PolarHBondContact O-NE 2.78Å; L270-R276 PolarHBondContact O-NH2 2.85Å; L271-R276 PolarHBondContact O-NH2 3.37Å; N272-R276 PolarHBondContact O-N 2.97Å; R276-L278 PolarHBondContact O-N 2.77Å
277F98.4Very high97.7Very high60 Ų6046 Ų4626%0.26324%0.244SC..PPolyproline II helixtrans-62.1132.8-179.2-83.619000111.6M185 S267 E275 Q281 C282M185-F277 WeakPolarHBondContact CG-O 3.32Å; S267-F277 PolarHBondContact O-N 2.74Å; E275-F277 PolarHBondContact O-N 2.94Å; F277-Q281 HydrophobicContact CB-CB 4.06Å; F277-Q281 HydrophobicContact CD1-CB 4.47Å; F277-Q281 HydrophobicContact CD2-CB 3.76Å; F277-Q281 HydrophobicContact CE2-CB 4.33Å; F277-Q281 HydrophobicContact CG-CB 3.84Å; F277-C282 VanDerWaalsContact CB-SG 3.52Å
278L98.5Very high97.6Very high64 Ų6445.4 Ų45.434%0.33524%0.239SC..PPolyproline II helixtrans-87.3171.7170.7-61.5-175.9000111.5K181 A182 M185 R276 E280 Q281 C282K181-L278 HydrophobicContact CB-CD2 4Å; A182-L278 HydrophobicContact CB-CD2 4.3Å; M185-L278 HydrophobicContact CG-CD2 4.25Å; R276-L278 PolarHBondContact O-N 2.77Å; L278-E280 VanDerWaalsContact C-N 3.32Å; L278-E280 PolarHBondContact O-N 3.21Å; L278-Q281 PolarHBondContact O-N 3.35Å; L278-Q281 VanDerWaalsContact O-N 3.07Å; L278-C282 PolarHBondContact O-N 3.4Å
279T98.4Very high97.5Very high8 Ų850.1 Ų50.15%0.04926%0.261CS..Hα-helixtrans-49.3-45.9-172.951.80000114.1I111 I114 N115 M185 C282 L283I111-T279 HydrophobicContact CG2-CG2 4.24Å; I114-T279 HydrophobicContact CB-CG2 4.16Å; I114-T279 HydrophobicContact CG2-CG2 3.7Å; N115-T279 HydrophobicContact CB-CG2 4.07Å; N115-T279 WeakPolarHBondContact OD1-CB 3.3Å; N115-T279 PolarHBondContact OD1-OG1 2.74Å; M185-T279 HydrophobicContact CE-CG2 4.4Å; M185-T279 HydrophobicContact SD-CG2 3.57Å; M185-T279 VanDerWaalsContact SD-CG2 3.57Å; T279-C282 PolarHBondContact O-N 2.74Å; T279-L283 WeakPolarHBondContact O-CB 3.41Å; T279-L283 VanDerWaalsContact O-CG 3.25Å; T279-L283 WeakPolarHBondContact O-CG 3.45Å; T279-L283 PolarHBondContact O-N 2.9Å
280E97.4Very high97.2Very high101 Ų10153 Ų5347%0.47228%0.28SS..Hα-helixtrans-71.7-31.6-177.6-58-160.1134.300113.3K119 L278 N284K119-E280 WeakPolarHBondContact CE-OE1 3.06Å; K119-E280 IonicContact NZ-OE1 2.76Å; K119-E280 PolarHBondContact NZ-OE1 3.41Å; L278-E280 VanDerWaalsContact C-N 3.32Å; L278-E280 PolarHBondContact O-N 3.21Å; E280-N284 WeakPolarHBondContact O-CB 3.35Å; E280-N284 PolarHBondContact O-N 2.81Å; E280-N284 PolarHBondContact O-ND2 3.25Å
281Q98.2Very high97Very high94 Ų9452 Ų5244%0.43928%0.275SS..Hα-helixtrans-69.1-46.1172.5-65.5164.8-62.700109.9F277 L278 N284 H285F277-Q281 HydrophobicContact CB-CB 4.06Å; F277-Q281 HydrophobicContact CD1-CB 4.47Å; F277-Q281 HydrophobicContact CD2-CB 3.76Å; F277-Q281 HydrophobicContact CE2-CB 4.33Å; F277-Q281 HydrophobicContact CG-CB 3.84Å; L278-Q281 PolarHBondContact O-N 3.35Å; L278-Q281 VanDerWaalsContact O-N 3.07Å; Q281-N284 PolarHBondContact O-N 3.09Å; Q281-H285 PolarHBondContact O-N 2.89Å; Q281-H285 VanDerWaalsContact O-N 3.12Å
282C98.5Very high96.9Very high0 Ų053.5 Ų53.50%028%0.279CS..Hα-helixtrans-61.9-45.9176.8-67.40000112.4I111 M185 L264 F277 L278 T279 N284 H285 F288I111-C282 HydrophobicContact CD1-CB 4.01Å; I111-C282 HydrophobicContact CG2-CB 4.04Å; M185-C282 HydrophobicContact CE-CB 4.12Å; M185-C282 VanDerWaalsContact CE-SG 3.53Å; L264-C282 HydrophobicContact CD1-CB 3.94Å; F277-C282 VanDerWaalsContact CB-SG 3.52Å; L278-C282 PolarHBondContact O-N 3.4Å; T279-C282 PolarHBondContact O-N 2.74Å; C282-N284 VanDerWaalsContact C-N 3.25Å; C282-N284 PolarHBondContact O-N 2.94Å; C282-H285 WeakPolarHBondContact O-CB 3.28Å; C282-H285 PolarHBondContact O-N 3.35Å; C282-H285 VanDerWaalsContact O-N 3.09Å; C282-F288 WeakPolarHBondContact O-CD2 3.31Å; C282-F288 WeakPolarHBondContact O-CE2 3.48Å
283L97.8Very high96.7Very high22 Ų2255.3 Ų55.312%0.11529%0.286CS..Hα-helixtrans-63.1-30.6178.9-73.1171.1000112.7F108 I111 K112 N115 T279 R292F108-L283 HydrophobicContact CD2-CD2 3.76Å; F108-L283 HydrophobicContact CE2-CD2 3.61Å; F108-L283 HydrophobicContact CZ-CD2 4.47Å; I111-L283 HydrophobicContact CB-CD2 4.08Å; I111-L283 HydrophobicContact CB-CG 4.45Å; I111-L283 HydrophobicContact CG2-CD1 4.33Å; I111-L283 HydrophobicContact CG2-CD2 3.85Å; I111-L283 HydrophobicContact CG2-CG 3.67Å; K112-L283 HydrophobicContact CG-CD2 3.8Å; N115-L283 HydrophobicContact CB-CD1 4.05Å; N115-L283 WeakPolarHBondContact ND2-CD1 3.41Å; T279-L283 WeakPolarHBondContact O-CB 3.41Å; T279-L283 VanDerWaalsContact O-CG 3.25Å; T279-L283 WeakPolarHBondContact O-CG 3.45Å; T279-L283 PolarHBondContact O-N 2.9Å; L283-R292 WeakPolarHBondContact O-CD 3.37Å; L283-R292 PolarHBondContact O-NH1 3.13Å
284N97.7Very high96.4Very high111 Ų11156.5 Ų56.559%0.59429%0.293SS*.Hα-helixtrans-83.4-12.7175.8-77.3-59.2000114.1E280 Q281 C282 R292E280-N284 WeakPolarHBondContact O-CB 3.35Å; E280-N284 PolarHBondContact O-N 2.81Å; E280-N284 PolarHBondContact O-ND2 3.25Å; Q281-N284 PolarHBondContact O-N 3.09Å; C282-N284 VanDerWaalsContact C-N 3.25Å; C282-N284 PolarHBondContact O-N 2.94Å; N284-R292 VanDerWaalsContact C-NH1 3.33Å; N284-R292 PolarHBondContact O-NH1 3.34Å; N284-R292 PolarHBondContact O-NH2 2.76Å
285H98.4Very high96.1Very high12 Ų1254.4 Ų54.46%0.05627%0.274CS..SBendtrans-53.4144.3-178.3-164.1-99.7000112.9L260 D263 L264 Q281 C282 A287 F288 R292L260-H285 PolarHBondContact O-CE1 2.91Å; D263-H285 IonicContact OD2-CE1 2.8Å; D263-H285 IonicContact OD2-NE2 3.52Å; D263-H285 PolarHBondContact OD2-NE2 3.38Å; L264-H285 HydrophobicContact CD1-CB 4.01Å; Q281-H285 PolarHBondContact O-N 2.89Å; Q281-H285 VanDerWaalsContact O-N 3.12Å; C282-H285 WeakPolarHBondContact O-CB 3.28Å; C282-H285 PolarHBondContact O-N 3.35Å; C282-H285 VanDerWaalsContact O-N 3.09Å; H285-A287 VanDerWaalsContact ND1-CB 3.27Å; H285-A287 WeakPolarHBondContact ND1-CB 3.45Å; H285-A287 PolarHBondContact ND1-N 3.33Å; H285-A287 PolarHBondContact O-N 2.92Å; H285-A287 VanDerWaalsContact O-N 3.09Å; H285-F288 PolarHBondContact O-N 3.44Å; H285-F288 VanDerWaalsContact O-N 3.13Å; H285-R292 PolarHBondContact O-NH1 3.45Å
286P97.9Very high95.7Very high65 Ų6556.3 Ų56.342%0.42228%0.276SS..G310 helixtrans-55-28.9178.8-29.136.7000114.4L260 F288 Q289L260-P286 HydrophobicContact CD1-CB 4.38Å; L260-P286 HydrophobicContact CD2-CB 4.3Å; P286-F288 PolarHBondContact O-N 2.95Å; P286-F288 VanDerWaalsContact O-N 3.08Å; P286-Q289 VanDerWaalsContact O-CB 3.29Å; P286-Q289 WeakPolarHBondContact O-CB 3.38Å; P286-Q289 PolarHBondContact O-N 3.49Å
287A97.5Very high95.1Very high4 Ų462 Ų623%0.03330%0.304CS..G310 helixtrans-52.1-30.2175.900000114.7R104 L260 M261 L264 H285R104-A287 WeakPolarHBondContact CD-O 3.33Å; L260-A287 HydrophobicContact CB-CB 4.22Å; M261-A287 HydrophobicContact SD-CB 3.81Å; L264-A287 HydrophobicContact CD2-CB 4.18Å; H285-A287 VanDerWaalsContact ND1-CB 3.27Å; H285-A287 WeakPolarHBondContact ND1-CB 3.45Å; H285-A287 PolarHBondContact ND1-N 3.33Å; H285-A287 PolarHBondContact O-N 2.92Å; H285-A287 VanDerWaalsContact O-N 3.09Å
288F97.9Very high94.1Very high0 Ų067.6 Ų67.60%033%0.327CS..G310 helixtrans-105.86.6178.5-52.5-54.4000114.1R104 I107 F108 I111 M261 L264 C282 H285 P286 P290 L291 R292R104-F288 HydrophobicContact CG-CD1 3.91Å; R104-F288 HydrophobicContact CG-CE1 4.1Å; I107-F288 HydrophobicContact CG2-CZ 4.02Å; F108-F288 HydrophobicContact CB-CD1 3.76Å; F108-F288 HydrophobicContact CB-CE1 3.78Å; F108-F288 HydrophobicContact CB-CG 4.32Å; F108-F288 HydrophobicContact CB-CZ 4.35Å; F108-F288 HydrophobicContact CD2-CB 3.69Å; F108-F288 AromaticContact CD2-CD1 3.84Å; F108-F288 HydrophobicContact CD2-CD1 3.84Å; F108-F288 AromaticContact CD2-CD2 3.82Å; F108-F288 HydrophobicContact CD2-CD2 3.82Å; F108-F288 HydrophobicContact CD2-CE1 4.42Å; F108-F288 HydrophobicContact CD2-CE2 4.41Å; F108-F288 AromaticContact CD2-CG 3.51Å; F108-F288 HydrophobicContact CD2-CG 3.51Å; F108-F288 HydrophobicContact CE2-CB 3.93Å; F108-F288 HydrophobicContact CE2-CD2 4.5Å; F108-F288 HydrophobicContact CE2-CG 4.21Å; F108-F288 HydrophobicContact CG-CD1 4.15Å; F108-F288 HydrophobicContact CG-CG 4.27Å; I111-F288 HydrophobicContact CD1-CE2 3.68Å; I111-F288 HydrophobicContact CD1-CZ 3.77Å; M261-F288 HydrophobicContact CE-CE1 4.49Å; L264-F288 HydrophobicContact CD2-CD2 4.45Å; L264-F288 HydrophobicContact CD2-CE1 4.23Å; L264-F288 HydrophobicContact CD2-CE2 3.43Å; L264-F288 VanDerWaalsContact CD2-CE2 3.43Å; L264-F288 HydrophobicContact CD2-CZ 3.29Å; C282-F288 WeakPolarHBondContact O-CD2 3.31Å; C282-F288 WeakPolarHBondContact O-CE2 3.48Å; H285-F288 PolarHBondContact O-N 3.44Å; H285-F288 VanDerWaalsContact O-N 3.13Å; P286-F288 PolarHBondContact O-N 2.95Å; P286-F288 VanDerWaalsContact O-N 3.08Å; F288-P290 VanDerWaalsContact C-CD 3.42Å; F288-P290 VanDerWaalsContact C-N 3.29Å; F288-L291 HydrophobicContact CD1-CD1 4.2Å; F288-L291 PolarHBondContact O-N 2.87Å; F288-L291 VanDerWaalsContact O-N 3.07Å; F288-R292 WeakPolarHBondContact O-CG 2.99Å; F288-R292 PolarHBondContact O-N 3.08Å
289Q95.3Very high92.5Very high99 Ų9968.7 Ų68.746%0.46334%0.341SS..THydrogen-bonded Turntrans-51.4-41.3177.5178.9176.5-7.700113.4P286 R292 Q293P286-Q289 VanDerWaalsContact O-CB 3.29Å; P286-Q289 WeakPolarHBondContact O-CB 3.38Å; P286-Q289 PolarHBondContact O-N 3.49Å; Q289-R292 PolarHBondContact O-N 3.08Å; Q289-Q293 WeakPolarHBondContact O-CG 3.47Å; Q289-Q293 PolarHBondContact O-N 2.96Å; Q289-Q293 PolarHBondContact O-OE1 2.91Å
290P93Very high90.4Very high64 Ų6471.8 Ų71.842%0.41636%0.363SS..THydrogen-bonded Turntrans-63.4-43.8176-22.834.9000113F288 R292 Q293 T294F288-P290 VanDerWaalsContact C-CD 3.42Å; F288-P290 VanDerWaalsContact C-N 3.29Å; P290-R292 VanDerWaalsContact C-N 3.34Å; P290-R292 PolarHBondContact O-N 2.96Å; P290-Q293 WeakPolarHBondContact O-CB 3.46Å; P290-Q293 PolarHBondContact O-N 3.43Å; P290-T294 PolarHBondContact O-N 3Å; P290-T294 VanDerWaalsContact O-N 3.08Å; P290-T294 PolarHBondContact O-OG1 3.43Å
291L94.4Very high88.3Confident40 Ų4072.6 Ų72.621%0.20938%0.377CS..Hα-helixtrans-64.8-39.8179-60.5-177.8000111.1R104 F108 F288 Q293 T294 E295R104-L291 HydrophobicContact CG-CD1 4.02Å; F108-L291 HydrophobicContact CB-CD1 3.59Å; F108-L291 HydrophobicContact CD1-CB 4.14Å; F108-L291 HydrophobicContact CD1-CD1 3.72Å; F108-L291 HydrophobicContact CD2-CD1 4.45Å; F108-L291 HydrophobicContact CE1-CB 4.1Å; F108-L291 HydrophobicContact CG-CB 4.49Å; F108-L291 HydrophobicContact CG-CD1 3.68Å; F108-L291 HydrophobicContact CZ-CB 4.42Å; F288-L291 HydrophobicContact CD1-CD1 4.2Å; F288-L291 PolarHBondContact O-N 2.87Å; F288-L291 VanDerWaalsContact O-N 3.07Å; L291-Q293 PolarHBondContact O-N 2.8Å; L291-T294 PolarHBondContact O-N 3.11Å; L291-E295 PolarHBondContact O-N 2.89Å
292R93.6Very high86.1Confident56 Ų5672.8 Ų72.821%0.21139%0.394CS..Hα-helixtrans-68.7-8.5172.7-62.9-162.9-55.1-83.73.4114.2F108 L283 N284 H285 F288 Q289 P290 R296F108-R292 HydrophobicContact CE2-CG 4.26Å; F108-R292 HydrophobicContact CZ-CG 4.27Å; L283-R292 WeakPolarHBondContact O-CD 3.37Å; L283-R292 PolarHBondContact O-NH1 3.13Å; N284-R292 VanDerWaalsContact C-NH1 3.33Å; N284-R292 PolarHBondContact O-NH1 3.34Å; N284-R292 PolarHBondContact O-NH2 2.76Å; H285-R292 PolarHBondContact O-NH1 3.45Å; F288-R292 WeakPolarHBondContact O-CG 2.99Å; F288-R292 PolarHBondContact O-N 3.08Å; Q289-R292 PolarHBondContact O-N 3.08Å; P290-R292 VanDerWaalsContact C-N 3.34Å; P290-R292 PolarHBondContact O-N 2.96Å; R292-R296 PolarHBondContact O-NE 2.61Å; R292-R296 PolarHBondContact O-NH2 3.38Å; R292-R296 VanDerWaalsContact O-NH2 3.1Å
293Q91.4Very high83.9Confident83 Ų8376.9 Ų76.939%0.38842%0.423SS..Hα-helixtrans-88.7-52.2169-72.7165.6-43.600109.1Q289 P290 L291 E295 R296 E297Q289-Q293 WeakPolarHBondContact O-CG 3.47Å; Q289-Q293 PolarHBondContact O-N 2.96Å; Q289-Q293 PolarHBondContact O-OE1 2.91Å; P290-Q293 WeakPolarHBondContact O-CB 3.46Å; P290-Q293 PolarHBondContact O-N 3.43Å; L291-Q293 PolarHBondContact O-N 2.8Å; Q293-E295 VanDerWaalsContact C-N 3.32Å; Q293-E295 PolarHBondContact O-N 2.83Å; Q293-R296 WeakPolarHBondContact O-CA 3.34Å; Q293-R296 WeakPolarHBondContact O-CB 3.42Å; Q293-R296 PolarHBondContact O-N 3.01Å; Q293-E297 WeakPolarHBondContact O-CG 3.31Å; Q293-E297 PolarHBondContact O-N 3.42Å
294T90.8Very high81.8Confident61 Ų6181.9 Ų81.937%0.37446%0.457SS..Hα-helixtrans-58.2-37.1176.7-51.90000113.8P290 L291 K298P290-T294 PolarHBondContact O-N 3Å; P290-T294 VanDerWaalsContact O-N 3.08Å; P290-T294 PolarHBondContact O-OG1 3.43Å; L291-T294 PolarHBondContact O-N 3.11Å; T294-K298 HydrophobicContact CG2-CD 4.39Å; T294-K298 WeakPolarHBondContact O-CB 3.36Å; T294-K298 WeakPolarHBondContact O-CG 3.43Å; T294-K298 PolarHBondContact O-N 3.3Å
295E88.5Confident79.6Confident76 Ų7682.9 Ų82.936%0.35546%0.462SS..Hα-helixtrans-65.1-37.6173.4-76.7-167.914000112.5F108 K112 L291 Q293 K298 S299F108-E295 WeakPolarHBondContact CE1-OE2 3.4Å; F108-E295 WeakPolarHBondContact CZ-OE2 3.16Å; K112-E295 IonicContact NZ-OE1 2.79Å; K112-E295 PolarHBondContact NZ-OE1 3.25Å; L291-E295 PolarHBondContact O-N 2.89Å; Q293-E295 VanDerWaalsContact C-N 3.32Å; Q293-E295 PolarHBondContact O-N 2.83Å; E295-K298 PolarHBondContact O-N 3.35Å; E295-S299 VanDerWaalsContact O-CB 3.29Å; E295-S299 WeakPolarHBondContact O-CB 3.44Å; E295-S299 PolarHBondContact O-N 2.95Å; E295-S299 PolarHBondContact O-OG 2.7Å; E295-S299 VanDerWaalsContact O-OG 3.05Å
296R87.6Confident77.6Confident157 Ų15787.1 Ų87.159%0.59249%0.491SS*.Hα-helixtrans-68.7-44.8177-84.8-179.1-71.1171.40111.4R292 Q293 K298 S299 S300R292-R296 PolarHBondContact O-NE 2.61Å; R292-R296 PolarHBondContact O-NH2 3.38Å; R292-R296 VanDerWaalsContact O-NH2 3.1Å; Q293-R296 WeakPolarHBondContact O-CA 3.34Å; Q293-R296 WeakPolarHBondContact O-CB 3.42Å; Q293-R296 PolarHBondContact O-N 3.01Å; R296-K298 VanDerWaalsContact C-N 3.32Å; R296-K298 PolarHBondContact O-N 3.04Å; R296-S299 WeakPolarHBondContact CA-OG 3.33Å; R296-S299 PolarHBondContact O-N 3.01Å; R296-S299 VanDerWaalsContact O-N 3.13Å; R296-S299 PolarHBondContact O-OG 2.83Å; R296-S300 PolarHBondContact O-N 3.48Å; R296-S300 PolarHBondContact O-OG 2.71Å
297E85.4Confident75.4Confident126 Ų12690.2 Ų90.259%0.58951%0.511SS*.Hα-helixtrans-58.1-41.2174.8-69.2155-166.200112.2Q293 S300Q293-E297 WeakPolarHBondContact O-CG 3.31Å; Q293-E297 PolarHBondContact O-N 3.42Å; E297-S300 PolarHBondContact O-OG 2.65Å
298K77.7Confident72.9Confident176 Ų176100.7 Ų100.777%0.76555%0.549SS*.Hα-helixtrans-71.4-31.7174.6-74.2-178.7177.1-173.70113.8T294 E295 R296T294-K298 HydrophobicContact CG2-CD 4.39Å; T294-K298 WeakPolarHBondContact O-CB 3.36Å; T294-K298 WeakPolarHBondContact O-CG 3.43Å; T294-K298 PolarHBondContact O-N 3.3Å; E295-K298 PolarHBondContact O-N 3.35Å; R296-K298 VanDerWaalsContact C-N 3.32Å; R296-K298 PolarHBondContact O-N 3.04Å
299S65.9Low70.7Confident87 Ų87105.9 Ų105.961%0.60859%0.586SS**Hα-helixtrans-84.3-11.8-179.767.90000114.6E295 R296 P301E295-S299 VanDerWaalsContact O-CB 3.29Å; E295-S299 WeakPolarHBondContact O-CB 3.44Å; E295-S299 PolarHBondContact O-N 2.95Å; E295-S299 PolarHBondContact O-OG 2.7Å; E295-S299 VanDerWaalsContact O-OG 3.05Å; R296-S299 WeakPolarHBondContact CA-OG 3.33Å; R296-S299 PolarHBondContact O-N 3.01Å; R296-S299 VanDerWaalsContact O-N 3.13Å; R296-S299 PolarHBondContact O-OG 2.83Å; S299-P301 WeakPolarHBondContact O-CD 3.48Å
300S52.8Low68.5Low74 Ų74106 Ų10652%0.51760%0.597SS.*SBendtrans-85102.8168.649.60000110.4R296 E297 A302R296-S300 PolarHBondContact O-N 3.48Å; R296-S300 PolarHBondContact O-OG 2.71Å; E297-S300 PolarHBondContact O-OG 2.65Å; S300-A302 PolarHBondContact O-N 2.94Å
301P54.3Low66.5Low118 Ų118112.7 Ų112.777%0.76662%0.62SS**  trans-62.8128.8171.827.2-34.4000109.2S299 S303S299-P301 WeakPolarHBondContact O-CD 3.48Å; P301-S303 PolarHBondContact O-N 3.27Å
302A51.4Low64Low98 Ų98122.5 Ų122.581%0.8165%0.654SS**  trans-63.1102.6176.100000109.5S300 P304S300-A302 PolarHBondContact O-N 2.94Å; A302-P304 VanDerWaalsContact O-CD 3.31Å; A302-P304 WeakPolarHBondContact O-CD 3.29Å
303S52.6Low61.9Low85 Ų85129 Ų12959%0.59468%0.684SS**  trans-61.2118.1176.9-178.20000109.3P301 N305P301-S303 PolarHBondContact O-N 3.27Å; S303-N305 PolarHBondContact O-N 3.41Å; S303-N305 PolarHBondContact OG-ND2 2.85Å
304P54Low59.1Low128 Ų128131.8 Ų131.883%0.83171%0.707SS**  trans-8060.2-175.634-36.2000111.1A302 P306A302-P304 VanDerWaalsContact O-CD 3.31Å; A302-P304 WeakPolarHBondContact O-CD 3.29Å; P304-P306 WeakPolarHBondContact O-CD 3.21Å
305N52.1Low56.7Low131 Ų131136.7 Ų136.770%0.70173%0.725SS**  trans-85.6112.5168.5-84.1-63.7000108.7S303S303-N305 PolarHBondContact O-N 3.41Å; S303-N305 PolarHBondContact OG-ND2 2.85Å
306P55.8Low54.4Low101 Ų101140.4 Ų140.466%0.65674%0.742SS**  trans-65.3151.1178.127.4-34.5000110.9P304 R308P304-P306 WeakPolarHBondContact O-CD 3.21Å; P306-R308 PolarHBondContact O-N 3.3Å
307P51.4Low52.2Low130 Ų130141.1 Ų141.184%0.84475%0.752SS**  trans-64.7100178.827.2-34.3000109.6S309P307-S309 VanDerWaalsContact C-N 3.3Å; P307-S309 PolarHBondContact O-N 3.11Å
308R44Very low49.8Very low224 Ų224137.9 Ų137.985%0.84575%0.752SS**  trans-75.581.9-171.2-161.2174-166.5158.76.7111.3P306 S310P306-R308 PolarHBondContact O-N 3.3Å; R308-S310 PolarHBondContact O-N 2.94Å
309S52.4Low47.8Very low109 Ų109136.8 Ų136.876%0.76275%0.75SS**  trans-45.2121.4169.4-179.40000110.4P307P307-S309 VanDerWaalsContact C-N 3.3Å; P307-S309 PolarHBondContact O-N 3.11Å
310S48.4Very low46.4Very low101 Ų101134.9 Ų134.971%0.70673%0.733SS**  trans-152.380.3175.1-73.40000109.2R308 R312R308-S310 PolarHBondContact O-N 2.94Å; S310-R312 PolarHBondContact O-N 2.85Å
311K51.8Low45.7Very low205 Ų205135 Ų13589%0.89173%0.73SS**  trans-58.4122.7167.3-70.4178.4177.6175.50109.3
312R41.8Very low45Very low247 Ų247134.8 Ų134.893%0.93273%0.727SS**  trans-147.7142.5145.4-110.7172.7-167.2-156.10.5109.8S310S310-R312 PolarHBondContact O-N 2.85Å
313K48.8Very low44.4Very low192 Ų192135.9 Ų135.984%0.83573%0.726SS**  trans-71.9148.9-176.6-59.1177.2178.2-1780110.3
314T34Very low43.6Very low142 Ų142137.9 Ų137.987%0.87173%0.734SS**  trans-118.1122.6151.7390000108.5
315H39.3Very low42.5Very low164 Ų164142.3 Ų142.376%0.75974%0.735SS**  trans-87.2171.6156.7-103.6-74.4000108.8
316H41.4Very low41.6Very low153 Ų153140 Ų14071%0.70873%0.728SS**  trans-29.9156.9150.5-61.7-52.3000115.1
317H41.5Very low40.6Very low173 Ų173144.7 Ų144.780%0.80174%0.741SS**  cis-158.8-178.8-7.6-124.1-67.9000107
318G34.2Very low39.4Very low57 Ų57143.9 Ų143.959%0.58873%0.734SS**  trans101.5106.3159.300000113.1
319E36Very low38.8Very low154 Ų154142.2 Ų142.272%0.7273%0.733SS**  74.6113.174.6-75.2-170.5174.100114.4
320N36.7Very low37.7Very low46 Ų46141.2 Ų141.225%0.24673%0.726CS.*  91.592.9120.8-58.23.3000120.1L563 D564 L565N320-L563 WeakPolarHBondContact OD1-CB 3.48Å; N320-D564 HydrophobicContact CB-CB 4.19Å; N320-D564 WeakPolarHBondContact ND2-CB 3.32Å; N320-D564 PolarHBondContact ND2-OD2 2.68Å; N320-D564 WeakPolarHBondContact OD1-CB 3.4Å; N320-D564 PolarHBondContact OD1-OD2 3.23Å; N320-L565 WeakPolarHBondContact ND2-CD1 3.18Å
321T38.3Very low36.7Very low76 Ų76142.9 Ų142.947%0.46673%0.732SS.*  121.1136.4114.6-46.50000115.9P323 C562 L563 D564T321-P323 WeakPolarHBondContact O-CD 3.37Å; T321-C562 PolarHBondContact N-O 3.24Å; T321-C562 VanDerWaalsContact N-O 3.15Å; T321-L563 WeakPolarHBondContact CA-O 3.48Å; T321-L563 VanDerWaalsContact CB-O 3.28Å; T321-L563 WeakPolarHBondContact CB-O 3.02Å; T321-L563 PolarHBondContact N-O 3.43Å; T321-L563 PolarHBondContact OG1-O 3.4Å; T321-D564 PolarHBondContact OG1-O 2.83Å
322V39.8Very low35.8Very low115 Ų115138 Ų13870%0.69772%0.724SS**PPolyproline II helixtrans-89.4126.6172.1174.50000110.7
323P38.2Very low35.5Very low121 Ų121136.9 Ų136.979%0.78672%0.72SS**PPolyproline II helixtrans-103.2119.2148.732.8-27.8000110.6T321T321-P323 WeakPolarHBondContact O-CD 3.37Å
324T35.1Very low34.9Very low126 Ų126138.4 Ų138.477%0.77372%0.72SS**PPolyproline II helixtrans-69.9161.8169.5-49.90000110.9
325R32.3Very low34.9Very low222 Ų222136 Ų13684%0.83871%0.709SS**  trans106.7134.7142.2-158.8-172-177.41780.5117.6
326S31.6Very low34.4Very low82 Ų82134.9 Ų134.957%0.57371%0.714SS**  trans51.9124.6157.752.50000118.5
327H34.9Very low33.8Very low200 Ų200132.8 Ų132.893%0.92672%0.716SS**  cis52.561.917.9-84.1-44.4000115.6
328T27.7Very low33.2Very low113 Ų113133.2 Ų133.269%0.69372%0.716SS**  trans-141.3140.4146.554.10000105.9
329K30.3Very low32.8Very low188 Ų188137.8 Ų137.882%0.81772%0.722SS**  cis-148.3127.321-111.4147.3179.4179.50107
330S28.6Very low32.3Very low88 Ų88136.3 Ų136.362%0.61573%0.727SS**  84117.485.378.50000115.2
331T28.1Very low31.9Very low136 Ų136138.9 Ų138.983%0.83475%0.749SS**  51.1145.5126.763.50000120.4
332S33.4Very low31.6Very low103 Ų103140.3 Ų140.372%0.7276%0.762SS**  cis-157.6155.421.6-179.80000113.4
333R36.3Very low31.1Very low224 Ų224142.6 Ų142.685%0.84577%0.77SS**  trans-22.1160.6138.1-43.7168.4176.2174-4.5114.7
334R34.8Very low31.2Very low223 Ų223141.7 Ų141.784%0.84276%0.764SS**  cis-172.1152.431.5-153.9-165.1-178.3-177.80.2113.6
335S34.9Very low30.9Very low93 Ų93146.1 Ų146.165%0.6577%0.767SS**  trans49143.2141.459.40000125
336T27.6Very low30.8Very low140 Ų140143.4 Ų143.486%0.85976%0.763SS**  trans-122.8157.5141.250.40000108.9
337S29.7Very low30.6Very low108 Ų108142.7 Ų142.776%0.75577%0.768SS**  cis-146.1131-6.447.60000111.3
338K29.7Very low30.2Very low183 Ų183138.8 Ų138.880%0.79675%0.754SS**SBend-158.8138.5124.3-102.1-165.3173.1-160.80109.3
339E25Very low30.3Very low152 Ų152139.7 Ų139.771%0.7175%0.754SS**  trans6.6135162.1-63.1130.6146.600118.8
340C26.2Very low30.4Very low123 Ų123138.6 Ų138.683%0.83175%0.752SS**  cis-155.4-173.18.5-1220000114.2
341S28.5Very low30.5Very low101 Ų101141.9 Ų141.971%0.70676%0.757SS**  trans-64.7175-165.4530000119.7
342S30.5Very low30.6Very low106 Ų106141.6 Ų141.674%0.74175%0.75SS**  trans79.4105.4152.238.60000122
343L29.1Very low30.4Very low162 Ų162141.4 Ų141.485%0.84875%0.748SS**  -8.4164.4122.1-65.1172.7000118.4
344P41.4Very low30.2Very low103 Ų103136.9 Ų136.967%0.66974%0.741SS**  cis-146.6-166.2-26.640.1-20.2000115.5
345R28.6Very low30Very low219 Ų219132.7 Ų132.783%0.82673%0.731SS**  trans82.8140.7147.7-82.6179.8173.3165.9-2.3122.6
346H30Very low30Very low164 Ų164131.9 Ų131.976%0.75973%0.725SS**  trans46.3156155.2-75.5-91.3000119.5D348H346-D348 IonicContact CE1-OD2 2.74Å; H346-D348 IonicContact CG-OD2 3.25Å; H346-D348 IonicContact ND1-OD2 3.91Å; H346-D348 PolarHBondContact ND1-OD2 3Å
347G27.5Very low30.1Very low67 Ų67133.6 Ų133.669%0.69172%0.721SS**  cis-165.5-166.5-400000106.2
348D26.7Very low30.2Very low118 Ų118135.2 Ų135.263%0.63172%0.721SS**  cis172.8152.7-10.7-104.4-60.5000104.5H346H346-D348 IonicContact CE1-OD2 2.74Å; H346-D348 IonicContact CG-OD2 3.25Å; H346-D348 IonicContact ND1-OD2 3.91Å; H346-D348 PolarHBondContact ND1-OD2 3Å
349L29.3Very low30.2Very low132 Ų132133.8 Ų133.869%0.69172%0.721SS**  trans57.1127.7158.5-84.864.7000124
350H33.1Very low30.4Very low166 Ų166129.6 Ų129.677%0.76972%0.719SS**  trans55.4164.5133.4-57.9-34.8000121.7
351H29.7Very low30.5Very low157 Ų157131.6 Ų131.673%0.72772%0.721SS**  cis-161.5149.829.1-155.162.7000114.8
352L31.4Very low30.7Very low129 Ų129136.4 Ų136.468%0.67573%0.73SS**  trans31.1132.1155.4-60.8-172.4000126.6
353S28.6Very low31.5Very low99 Ų99137.5 Ų137.569%0.69273%0.734SS**  55.1152.7121.6-41.10000122
354N32.7Very low31.5Very low130 Ų130134 Ų13470%0.69573%0.729SS**  cis-178172.626.2-146.126.5000112.8
355E29.9Very low31.8Very low135 Ų135134.4 Ų134.463%0.63173%0.731SS**  trans62.6157.9161.4-56.1-52.2124.100122
356S34.8Very low31.8Very low75 Ų75129 Ų12952%0.52473%0.728SS.*  cis-177.8165.6-42.9-93.80000113.5
357F29.5Very low31.8Very low177 Ų177125.8 Ų125.878%0.77672%0.723SS**  trans68151.9154.5-63.3-42.5000120.6
358L31.9Very low31.8Very low142 Ų142130.6 Ų130.674%0.74373%0.732SS**  cis-154.4130.6-9.4-99.2157.5000107.2
359N30.6Very low31.9Very low152 Ų152130.3 Ų130.381%0.81374%0.74SS**  76133.388-16935.3000118.2
360G27.6Very low32.8Very low64 Ų64129.6 Ų129.666%0.6674%0.743SS**  trans158.288.3166.600000121.4
361N28.9Very low32.7Very low165 Ų165127.6 Ų127.688%0.88274%0.742SS**  trans51.3157.5142.5-71.6-5.5000127
362K33.6Very low32.6Very low202 Ų202128.4 Ų128.488%0.87875%0.751SS**  trans-96.4-179.5169.5-63179.3-179.4176.40110
363P46.2Very low32.8Very low129 Ų129130.5 Ų130.584%0.83876%0.757SS**  cis-143.3-153.217.644.4-21.2000116.8
364A29.1Very low33.6Very low88 Ų88131.5 Ų131.573%0.72776%0.761SS**  trans-95.7-162.3-177.700000112
365P48.9Very low33.5Very low112 Ų112134.4 Ų134.473%0.72777%0.768SS**  cis-142.9-165.22.645.1-25.1000116.8
366S28.6Very low33.5Very low107 Ų107133.2 Ų133.275%0.74877%0.769SS**  trans72162.4154.981.40000118.5
367S28.4Very low33.1Very low95 Ų95138 Ų13866%0.66478%0.783SS**  cis-168.8175.7-31.456.70000111.3
368L28.9Very low33Very low169 Ų169139.2 Ų139.289%0.88578%0.784SS**  trans78.2151.4162.3-62.1169.4000120.6
369S29.3Very low32.9Very low112 Ų112140.1 Ų140.178%0.78379%0.787SS**  trans-108.2-169.6170.7-34.40000108.4
370P46.5Very low32.7Very low116 Ų116136.7 Ų136.775%0.75377%0.774SS**  cis-144.5-178.219.843.5-21.8000118.5
371T32.4Very low32.7Very low125 Ų125141.2 Ų141.277%0.76778%0.778SS**  trans-12.5136.7156.4-44.60000120.5
372L27.7Very low32.6Very low173 Ų173138.9 Ų138.991%0.90677%0.77SS**  -174.7164.5126.3-100.9167.1000114.5
373H35.1Very low32.4Very low173 Ų173136.1 Ų136.180%0.80176%0.764SS**  trans-109.9153178.9-108.9-34.6000110.4
374P45.2Very low31.5Very low120 Ų120136.8 Ų136.878%0.77976%0.761SS**  -158.7140.297.237.9-17.3000119.7
375K30.1Very low31.5Very low191 Ų191144.2 Ų144.283%0.8377%0.77SS**  39.7137.7118.2-149.6-178.3-169.8176.80121.9
376V29.3Very low30.5Very low110 Ų110144.5 Ų144.567%0.66778%0.775SS**  trans146.9128.2131.1163.80000118.1
377Q27.8Very low30.6Very low175 Ų175143.9 Ų143.982%0.81878%0.776SS**  trans55.6167.7151.7-75.1162.6-11.700122.9
378Y28.1Very low30.7Very low204 Ų204144.6 Ų144.680%0.878%0.781SS**  cis-173.7155.6-45-133.9-82.4000110.9
379M27.9Very low30.7Very low161 Ų161140.4 Ų140.479%0.79377%0.766SS**  trans66.9162.6164.4-72.2-132.7166.800119.7
380S28.1Very low30.7Very low79 Ų79140.6 Ų140.655%0.55276%0.758SS**  cis-171.5152.7-23.9-95.40000114.8
381Q27Very low30.2Very low159 Ų159142.1 Ų142.174%0.74375%0.753SS**  trans72.7125.6144.5-72.3175.149.900126.2
382T26.9Very low30Very low117 Ų117141.5 Ų141.572%0.71875%0.745SS**  trans71.5160.4138.159.10000121.5
383L29.3Very low30.1Very low144 Ų144141 Ų14175%0.75474%0.743SS**  cis-160.4151.56.9-127.4160.7000114.5
384N27.2Very low29.9Very low142 Ų142136.2 Ų136.276%0.75973%0.732SS**  trans-6.7158.4164.6-68.9-22.9000127.4
385R28.2Very low29.2Very low245 Ų245137.3 Ų137.393%0.92573%0.732SS**  trans125.9162.9139.3-84.2179.4-176.3-107.13118.5
386S28.4Very low29.3Very low118 Ų118134.2 Ų134.283%0.82572%0.724SS**  trans-168.1148.1-158560000115.3
387A30.9Very low29.1Very low94 Ų94135 Ų13578%0.77773%0.725SS**  trans-178.8149.4154.600000116.9
388S30.2Very low29.4Very low110 Ų110133.7 Ų133.777%0.76972%0.723SS**  trans67.5160.4150-65.90000122.7
389S30.3Very low30.2Very low81 Ų81128.4 Ų128.457%0.56671%0.713SS**  cis-175.8159.9-30.266.20000115.3
390N29.2Very low30.2Very low116 Ų116129 Ų12962%0.6271%0.714SS**  trans76.5137.2142.4-85.7-37.5000125.8K528N390-K528 PolarHBondContact O-NZ 2.85Å
391K34.5Very low30.2Very low148 Ų148131 Ų13164%0.64372%0.718SS**  trans65.1154.6139.4-70.2179.8161.4-82.60121.1K528K391-K528 PolarHBondContact O-NZ 3.29Å
392D29.3Very low30.4Very low111 Ų111130.5 Ų130.559%0.59472%0.719SS**  cis-162.9163.5-13.1-116.9-23.6000113.3
393L29.9Very low30.8Very low164 Ų164130.3 Ų130.386%0.85972%0.723SS**  trans63.3159.2159.5-61.7159.5000120.8
394A30Very low31.1Very low71 Ų71128.6 Ų128.659%0.58772%0.72SS**  cis-174148.7-36.500000113.6
395N30.5Very low31.1Very low144 Ų144129.6 Ų129.677%0.7772%0.718SS**  trans63.1160.1153.7-67.4-12.2000119.8
396N31.9Very low30.9Very low125 Ų125124.9 Ų124.967%0.66871%0.706SS**  cis-174169.8-18.4-100.8-22.5000109.2
397N26.6Very low30.9Very low128 Ų128124.1 Ų124.168%0.68471%0.707SS**  cis-175.3177.6-32.6-147.5-52.6000110.4
398L32.1Very low30.8Very low147 Ų147128.3 Ų128.377%0.7771%0.708SS**  trans72.4166.1161.9-60.7170000119.2
399P44.9Very low30.6Very low93 Ų93129.4 Ų129.460%0.60471%0.705SS**  -146.1164.7-61.943.5-26.6000118.5
400H29.5Very low30.6Very low172 Ų172133.5 Ų133.580%0.79671%0.712SS**  trans61.2158.5147.5-65.7-33.6000121.5
401L27.8Very low30.5Very low123 Ų123133.9 Ų133.964%0.64472%0.719SS**  cis-156.6-177.5-13-113.3169.1000112.8
402L31.4Very low30.2Very low147 Ų147134.5 Ų134.577%0.7772%0.724SS**  trans-102.8161.5-151-65.5157.9000120.6
403S33.8Very low30Very low113 Ų113138 Ų13879%0.7974%0.735SS**  trans77.2158.1144.6-109.70000120.2
404P37.5Very low29.8Very low108 Ų108137.1 Ų137.170%0.70173%0.731SS**  cis-146.6170.344.344.8-25.8000120.4
405K25.6Very low30Very low164 Ų164142 Ų14271%0.71374%0.739SS**  trans38.9158.2136.9-69.4-177.7155.7-127.50122.6
406E25.6Very low30.5Very low146 Ų146141.5 Ų141.568%0.68274%0.736SS**  cis-167.6151.5-6.5-117165.9175.300110.9
407A28.3Very low30.3Very low101 Ų101143.4 Ų143.484%0.83575%0.746SS**  trans-165.9162.7156.800000112.9
408K27.7Very low30.6Very low183 Ų183140.4 Ų140.480%0.79675%0.745SS**  trans-138.3168178.3-52.9174.1-176.6169.80108.7
409N26.6Very low31.3Very low132 Ų132139.3 Ų139.371%0.70675%0.747SS**  -175.9151.652.7-101.8-40.1000111.1
410K29.1Very low30.9Very low167 Ų167139.4 Ų139.473%0.72675%0.75SS**  42159.9126.1-64-161.1167.4-153.50121.9
411T27.8Very low31.2Very low124 Ų124137 Ų13776%0.76175%0.747SS**  cis-154.5156.530.1-31.20000114
412E27.8Very low31.5Very low161 Ų161140 Ų14075%0.75276%0.755SS**  trans-82.1177.6164.7-60.2144.5115.700112
413F24.9Very low31.4Very low186 Ų186140.5 Ų140.582%0.81676%0.757SS**  trans-141.1124.9158.2-130.9-87.4000111.8F415F413-F415 HydrophobicContact CD1-CD2 4.11Å; F413-F415 AromaticContact CE1-CD2 3.53Å; F413-F415 HydrophobicContact CE1-CD2 3.53Å; F413-F415 AromaticContact CE1-CE2 3.98Å; F413-F415 HydrophobicContact CE1-CE2 3.98Å; F413-F415 HydrophobicContact CE1-CG 4.5Å; F413-F415 HydrophobicContact CZ-CD2 4.16Å; F413-F415 HydrophobicContact CZ-CE2 4.14Å
414D27.3Very low31.2Very low145 Ų145139.9 Ų139.978%0.77575%0.753SS**  trans-155146.6171.1-174.816.4000106.2
415F32.7Very low30.7Very low173 Ų173141 Ų14176%0.75975%0.753SS**  trans-147.1151.6-171.7-119.5-86.4000116F413F413-F415 HydrophobicContact CD1-CD2 4.11Å; F413-F415 AromaticContact CE1-CD2 3.53Å; F413-F415 HydrophobicContact CE1-CD2 3.53Å; F413-F415 AromaticContact CE1-CE2 3.98Å; F413-F415 HydrophobicContact CE1-CE2 3.98Å; F413-F415 HydrophobicContact CE1-CG 4.5Å; F413-F415 HydrophobicContact CZ-CD2 4.16Å; F413-F415 HydrophobicContact CZ-CE2 4.14Å
416N40.9Very low31Very low134 Ų134140.9 Ų140.972%0.71776%0.755SS**  trans-154.2179.6-146-149-25.6000112.9
417L29.1Very low31.1Very low165 Ų165137.5 Ų137.586%0.86476%0.759SS**  trans-139.2154.3168.9-68.6174.8000110.4
418G32.5Very low31.2Very low65 Ų65142 Ų14267%0.6776%0.763SS**  cis-160177.41.300000112.9
419P47.7Very low31.2Very low124 Ų124137 Ų13781%0.80576%0.764SS**  trans-92164.1-16935.6-36.3000114.7
420S35.2Very low31.3Very low95 Ų95135.3 Ų135.366%0.66477%0.768SS**  cis-176-168.2-24.263.30000109.5
421T36.3Very low31.3Very low122 Ų122135.4 Ų135.475%0.74877%0.768SS**  trans74.1167.7174.882.50000114.6
422K33.2Very low31.4Very low186 Ų186139.2 Ų139.281%0.80977%0.77SS**  cis-148.4-1757.5-148.9158.3-174.8177.10111.4
423L29.3Very low31.3Very low156 Ų156137.5 Ų137.582%0.81777%0.771SS**  trans72.996.5-179.9-54.8178.1000113.7
424S29.5Very low31.6Very low100 Ų100137.1 Ų137.170%0.69977%0.771SS**  86.6142.363.270.70000112.6
425D27.6Very low31.8Very low131 Ų131135.2 Ų135.270%0.70177%0.769SS**  cis-157.1-175.213.7-151.8-4.1000114.4
426Q31.4Very low31.8Very low162 Ų162136.7 Ų136.776%0.75778%0.775SS**  trans-31.6162.5175.6-68.5152.370.300122.4
427G27.3Very low32.1Very low75 Ų75135.5 Ų135.577%0.77378%0.775SS**  trans172.6126.7154.600000116.7
428H31.4Very low32.5Very low196 Ų196131.7 Ų131.791%0.90776%0.762SS**  trans-103.6163.9-175.3-69.562.5000114.5
429G27.6Very low32.6Very low79 Ų79136.3 Ų136.381%0.81477%0.771SS**  trans159.1148.7163.500000115.4
430A27.9Very low32.3Very low95 Ų95135.3 Ų135.379%0.78577%0.766SS**  trans-153.6139.7-170.700000119.1
431K29.9Very low32.6Very low169 Ų169141.8 Ų141.874%0.73578%0.776SS**  trans68.9146.5150.5-68.6174.5-177.8177.40120.1
432Y29.1Very low33Very low204 Ų204139.6 Ų139.680%0.877%0.766SS**  cis-107.3-10310.6-75.7-89.5000115.8
433T27.5Very low33.8Very low125 Ų125137.7 Ų137.777%0.76776%0.76SS**  cis-153.3-164.67.8-50.70000110.3
434H30.7Very low35Very low178 Ų178138 Ų13882%0.82476%0.757SS**  trans-63.6137.5-165.9-68.9-85000119.5
435S30.1Very low36.1Very low106 Ų106140 Ų14074%0.74176%0.756SS**  trans38.8112.6144.559.30000124
436K34.2Very low37.4Very low203 Ų203140.2 Ų140.288%0.88375%0.752SS**  27.7153.4129.3-72.4-174.9179.8-177.90122
437P46.9Very low39Very low110 Ų110139.1 Ų139.171%0.71475%0.747SS**  cis-140.7168.2-12.340.1-20.9000118
438S36.5Very low40.8Very low84 Ų84142.5 Ų142.559%0.58774%0.743SS**  trans34.6120.7147.8650000123.7
439L35Very low42.3Very low163 Ų163139.4 Ų139.485%0.85373%0.729SS**  trans-168.9119.5150.9-114.5161.4000112.6
440S41.5Very low44.2Very low102 Ų102141.4 Ų141.471%0.71372%0.717SS**  trans-163.9-4.4169.761.50000118.8S442S440-S442 VanDerWaalsContact C-N 3.33Å; S440-S442 PolarHBondContact O-N 3.05Å
441R42.3Very low46.2Very low232 Ų232143.6 Ų143.688%0.87571%0.711SS**THydrogen-bonded Turntrans-75.1-15.9-176.4-161.6171.6-1761781.7114.8
442S43.9Very low48.2Very low75 Ų75142.2 Ų142.252%0.52471%0.707SS.*Hα-helixtrans-77.2-30.8-176.3430000114.5S440 Q446S440-S442 VanDerWaalsContact C-N 3.33Å; S440-S442 PolarHBondContact O-N 3.05Å; S442-Q446 PolarHBondContact O-N 3.47Å
443Q50.3Low49.9Very low147 Ų147138.6 Ų138.669%0.68770%0.697SS**Hα-helixtrans-71.7-36.6-168.7-158.4170.744.200112.9Q446 Q447Q443-Q446 PolarHBondContact O-N 3.24Å; Q443-Q447 PolarHBondContact O-N 2.88Å; Q443-Q447 VanDerWaalsContact O-N 3.1Å
444Q53.5Low52.1Low161 Ų161138.7 Ų138.775%0.75269%0.689SS**Hα-helixtrans-70.5-37.4-177.2-159.6172.124.500112.5Q448Q444-Q448 PolarHBondContact O-N 3.45Å
445Q54.5Low54.1Low144 Ų144136.9 Ų136.967%0.67368%0.681SS**Hα-helixtrans-71.9-35.8176.9-162.8170.523.100111.7Q448 Q449Q445-Q448 PolarHBondContact O-N 2.91Å; Q445-Q449 PolarHBondContact O-N 3.08Å; Q445-Q449 VanDerWaalsContact O-N 3.15Å
446Q54.6Low55.9Low135 Ų135138 Ų13863%0.63168%0.675SS**Hα-helixtrans-66.6-39.4176.2-166.9169.647.900112.2S442 Q443 Q449 Q450S442-Q446 PolarHBondContact O-N 3.47Å; Q443-Q446 PolarHBondContact O-N 3.24Å; Q446-Q449 PolarHBondContact O-N 2.89Å; Q446-Q450 WeakPolarHBondContact O-CB 3.42Å; Q446-Q450 PolarHBondContact O-N 3.42Å
447Q65Low57.5Low139 Ų139134.5 Ų134.565%0.6566%0.661SS**Hα-helixtrans-65.6-40.6177.2-166170.753.700112.3Q443 Q450 Q451Q443-Q447 PolarHBondContact O-N 2.88Å; Q443-Q447 VanDerWaalsContact O-N 3.1Å; Q447-Q450 PolarHBondContact O-N 2.94Å; Q447-Q451 PolarHBondContact O-N 3.39Å; Q447-Q451 VanDerWaalsContact O-N 3.07Å
448Q64.5Low58.7Low146 Ų146135.8 Ų135.868%0.68266%0.658SS**Hα-helixtrans-66.1-40.4177.4-165.3170.750.500112.3Q444 Q445 Q451 Q452Q444-Q448 PolarHBondContact O-N 3.45Å; Q445-Q448 PolarHBondContact O-N 2.91Å; Q448-Q451 PolarHBondContact O-N 2.92Å; Q448-Q452 PolarHBondContact O-N 3.29Å
449Q62.1Low60.2Low130 Ų130138.2 Ų138.261%0.60766%0.66SS**Hα-helixtrans-69.6-35177-167.1169.173.500112.5Q445 Q446 Q452 Q453Q445-Q449 PolarHBondContact O-N 3.08Å; Q445-Q449 VanDerWaalsContact O-N 3.15Å; Q446-Q449 PolarHBondContact O-N 2.89Å; Q449-Q452 PolarHBondContact O-N 3.15Å; Q449-Q453 PolarHBondContact O-N 3.34Å; Q449-Q453 VanDerWaalsContact O-N 3.09Å
450Q67.5Low61.4Low122 Ų122136.5 Ų136.557%0.5765%0.647SS**Hα-helixtrans-68.6-37.1176-172.8168.185.500112.5Q446 Q447 Q452 Q453 Q454Q446-Q450 WeakPolarHBondContact O-CB 3.42Å; Q446-Q450 PolarHBondContact O-N 3.42Å; Q447-Q450 PolarHBondContact O-N 2.94Å; Q450-Q452 VanDerWaalsContact C-N 3.35Å; Q450-Q453 PolarHBondContact O-N 3.12Å; Q450-Q454 PolarHBondContact O-N 2.95Å; Q450-Q454 VanDerWaalsContact O-N 3.09Å
451Q71.4Confident62.5Low141 Ų141137.9 Ų137.966%0.65964%0.643SS**Hα-helixtrans-65.5-38.3174.6-162.7169.864.900111.7Q447 Q448 Q454 Q455Q447-Q451 PolarHBondContact O-N 3.39Å; Q447-Q451 VanDerWaalsContact O-N 3.07Å; Q448-Q451 PolarHBondContact O-N 2.92Å; Q451-Q454 PolarHBondContact O-N 3.1Å; Q451-Q455 PolarHBondContact O-N 3.34Å
452Q70.6Confident63.5Low140 Ų140133.1 Ų133.165%0.65463%0.63SS**Hα-helixtrans-68.4-34.2175.6-159.4168.965.700112.7Q448 Q449 Q450 Q456Q448-Q452 PolarHBondContact O-N 3.29Å; Q449-Q452 PolarHBondContact O-N 3.15Å; Q450-Q452 VanDerWaalsContact C-N 3.35Å; Q452-Q456 PolarHBondContact O-N 2.87Å
453Q66.3Low64Low127 Ų127136.1 Ų136.159%0.59364%0.636SS**Hα-helixtrans-67.5-40.9171.8-79.6-171.5-11.100113.2Q449 Q450 Q455 Q456 Q457Q449-Q453 PolarHBondContact O-N 3.34Å; Q449-Q453 VanDerWaalsContact O-N 3.09Å; Q450-Q453 PolarHBondContact O-N 3.12Å; Q453-Q455 VanDerWaalsContact C-N 3.33Å; Q453-Q455 PolarHBondContact O-N 3.4Å; Q453-Q456 PolarHBondContact O-N 2.82Å; Q453-Q457 PolarHBondContact O-N 2.92Å
454Q72.9Confident64.1Low128 Ų128135.5 Ų135.560%0.59863%0.633SS**Hα-helixtrans-60.2-42.9176.1-82-171.9-14.600112.2Q450 Q451 Q456 Q457 Q458Q450-Q454 PolarHBondContact O-N 2.95Å; Q450-Q454 VanDerWaalsContact O-N 3.09Å; Q451-Q454 PolarHBondContact O-N 3.1Å; Q454-Q456 VanDerWaalsContact C-N 3.3Å; Q454-Q456 PolarHBondContact O-N 3.46Å; Q454-Q457 PolarHBondContact O-N 2.94Å; Q454-Q458 PolarHBondContact O-N 3.29Å
455Q72Confident64.1Low139 Ų139134.8 Ų134.865%0.6563%0.63SS**Hα-helixtrans-64.9-35.5179.5-159168.866.400112Q451 Q453 Q459Q451-Q455 PolarHBondContact O-N 3.34Å; Q453-Q455 VanDerWaalsContact C-N 3.33Å; Q453-Q455 PolarHBondContact O-N 3.4Å; Q455-Q459 PolarHBondContact O-N 3.45Å
456Q69.4Low63.9Low131 Ų131135 Ų13561%0.61263%0.631SS**Hα-helixtrans-75-32176-158.2166.398.800112.9Q452 Q453 Q454 Q460Q452-Q456 PolarHBondContact O-N 2.87Å; Q453-Q456 PolarHBondContact O-N 2.82Å; Q454-Q456 VanDerWaalsContact C-N 3.3Å; Q454-Q456 PolarHBondContact O-N 3.46Å; Q456-Q460 PolarHBondContact O-N 3.03Å
457Q67.9Low63.5Low128 Ų128135.8 Ų135.860%0.59863%0.634SS**Hα-helixtrans-67.9-39171.4-78.4-172.7-9.800112.8Q453 Q454 Q459 Q460 Q461Q453-Q457 PolarHBondContact O-N 2.92Å; Q454-Q457 PolarHBondContact O-N 2.94Å; Q457-Q459 VanDerWaalsContact C-N 3.34Å; Q457-Q459 PolarHBondContact O-N 2.86Å; Q457-Q460 PolarHBondContact O-N 2.73Å; Q457-Q461 PolarHBondContact O-N 3.19Å
458Q72Confident62.4Low137 Ų137132.1 Ų132.164%0.6463%0.628SS**Hα-helixtrans-61.7-39.7175.7-79.1-171.7-13.100112.5Q454 Q460 Q461 Q462Q454-Q458 PolarHBondContact O-N 3.29Å; Q458-Q460 PolarHBondContact O-N 3.16Å; Q458-Q461 PolarHBondContact O-N 3.13Å; Q458-Q462 PolarHBondContact O-N 3.37Å
459Q67.4Low61.3Low136 Ų136129.9 Ų129.964%0.63663%0.629SS**Hα-helixtrans-64.3-38174.2-77.7-171.5-11.800112.8Q455 Q457 Q463Q455-Q459 PolarHBondContact O-N 3.45Å; Q457-Q459 VanDerWaalsContact C-N 3.34Å; Q457-Q459 PolarHBondContact O-N 2.86Å; Q459-Q463 PolarHBondContact O-N 3.15Å
460Q60.6Low60.2Low126 Ų126134 Ų13459%0.58964%0.639SS**Hα-helixtrans-68.8-37.6174.4-74.8-170.2-5.900112.8Q456 Q457 Q458 Q463 Q464Q456-Q460 PolarHBondContact O-N 3.03Å; Q457-Q460 PolarHBondContact O-N 2.73Å; Q458-Q460 PolarHBondContact O-N 3.16Å; Q460-Q463 PolarHBondContact O-N 3.34Å; Q460-Q464 PolarHBondContact O-N 3.1Å
461Q64.8Low58.7Low132 Ų132136.8 Ų136.862%0.61765%0.651SS**Hα-helixtrans-64.3-39.4174.6-85.8-172.6-11.800112.7Q457 Q458 Q464 Q465Q457-Q461 PolarHBondContact O-N 3.19Å; Q458-Q461 PolarHBondContact O-N 3.13Å; Q461-Q464 PolarHBondContact O-N 3.24Å; Q461-Q465 PolarHBondContact O-N 3.37Å
462Q61.6Low56.8Low132 Ų132136.1 Ų136.162%0.61766%0.657SS**Hα-helixtrans-64.3-40.3174.2-79.1-170.5-10.900112.5Q458 Q465 Q466Q458-Q462 PolarHBondContact O-N 3.37Å; Q462-Q465 PolarHBondContact O-N 3.48Å; Q462-Q466 PolarHBondContact O-N 2.76Å; Q462-Q466 VanDerWaalsContact O-N 3.14Å
463Q55.9Low54.9Low138 Ų138138.9 Ų138.965%0.64567%0.667SS**Hα-helixtrans-67-37.4174.8-73.5-170.1-7.600112.6Q459 Q460 Q466 Q467Q459-Q463 PolarHBondContact O-N 3.15Å; Q460-Q463 PolarHBondContact O-N 3.34Å; Q463-Q466 PolarHBondContact O-N 2.88Å; Q463-Q467 PolarHBondContact O-N 3.49Å; Q463-Q467 VanDerWaalsContact O-N 3.17Å
464Q52.1Low53.3Low134 Ų134141.2 Ų141.263%0.62668%0.683SS**Hα-helixtrans-68.2-37.9174.5-78.1-171.7-14.400112.9Q460 Q461 Q466 Q467 A468Q460-Q464 PolarHBondContact O-N 3.1Å; Q461-Q464 PolarHBondContact O-N 3.24Å; Q464-Q466 VanDerWaalsContact C-N 3.33Å; Q464-Q466 PolarHBondContact O-N 3.38Å; Q464-Q467 PolarHBondContact O-N 3.29Å; Q464-A468 VanDerWaalsContact O-CB 3.31Å; Q464-A468 WeakPolarHBondContact O-CB 3.34Å; Q464-A468 PolarHBondContact O-N 2.94Å
465Q53Low51.2Low146 Ų146143.6 Ų143.668%0.68269%0.694SS**Hα-helixtrans-63.5-37.6173.9-78.4-173.2-15.200112.5Q461 Q462 Q467 A468 S469Q461-Q465 PolarHBondContact O-N 3.37Å; Q462-Q465 PolarHBondContact O-N 3.48Å; Q465-Q467 VanDerWaalsContact C-N 3.33Å; Q465-Q467 PolarHBondContact O-N 3.41Å; Q465-A468 PolarHBondContact O-N 3.06Å; Q465-S469 PolarHBondContact O-N 3.34Å
466Q50.6Low49Very low148 Ų148143.4 Ų143.469%0.69270%0.698SS**Hα-helixtrans-67.3-30.7175-71.2-174.2700113.1Q462 Q463 Q464 S469Q462-Q466 PolarHBondContact O-N 2.76Å; Q462-Q466 VanDerWaalsContact O-N 3.14Å; Q463-Q466 PolarHBondContact O-N 2.88Å; Q464-Q466 VanDerWaalsContact C-N 3.33Å; Q464-Q466 PolarHBondContact O-N 3.38Å; Q466-S469 PolarHBondContact O-OG 3.33Å
467Q45.9Very low47.2Very low151 Ų151146.2 Ų146.271%0.70671%0.707SS**Hα-helixtrans-82-34.9174.4-68.4-174.7-4.800113.1Q463 Q464 Q465 S469 R470Q463-Q467 PolarHBondContact O-N 3.49Å; Q463-Q467 VanDerWaalsContact O-N 3.17Å; Q464-Q467 PolarHBondContact O-N 3.29Å; Q465-Q467 VanDerWaalsContact C-N 3.33Å; Q465-Q467 PolarHBondContact O-N 3.41Å; Q467-S469 VanDerWaalsContact C-N 3.28Å; Q467-S469 PolarHBondContact O-N 2.91Å; Q467-R470 PolarHBondContact O-N 2.9Å
468A41.8Very low45.4Very low63 Ų63145.6 Ų145.652%0.52171%0.713SS.*Hα-helixtrans-63-32.8176.700000112.7Q464 Q465 R470Q464-A468 VanDerWaalsContact O-CB 3.31Å; Q464-A468 WeakPolarHBondContact O-CB 3.34Å; Q464-A468 PolarHBondContact O-N 2.94Å; Q465-A468 PolarHBondContact O-N 3.06Å; A468-R470 PolarHBondContact O-N 2.96Å
469S40.7Very low43.2Very low99 Ų99145.5 Ų145.569%0.69272%0.717SS**THydrogen-bonded Turntrans-64.4-1.7177.472.80000115.6Q465 Q466 Q467Q465-S469 PolarHBondContact O-N 3.34Å; Q466-S469 PolarHBondContact O-OG 3.33Å; Q467-S469 VanDerWaalsContact C-N 3.28Å; Q467-S469 PolarHBondContact O-N 2.91Å
470R40.4Very low41.3Very low216 Ų216144.8 Ų144.882%0.81572%0.722SS**THydrogen-bonded Turntrans-118.7-7-173.4-109.2-178.2162.3154.3-1.7117.3Q467 A468Q467-R470 PolarHBondContact O-N 2.9Å; A468-R470 PolarHBondContact O-N 2.96Å
471H34.6Very low39.8Very low180 Ų180146.5 Ų146.583%0.83373%0.734SS**SBendtrans-142.770.7174.7-89.3-80.9000112.5
472T32.1Very low38.1Very low127 Ų127148.6 Ų148.678%0.77974%0.744SS**SBendtrans-145.443.1164.4-39.50000112.3
473F31Very low36.6Very low199 Ų199148.3 Ų148.387%0.87376%0.756SS**SBendtrans-159.983.8159.2-148-89.1000112.6
474L33.7Very low35.3Very low175 Ų175145 Ų14592%0.91676%0.76SS**  trans-175.788.1156.7-108.6158.7000111.5
475E28.6Very low34.2Very low178 Ų178143.4 Ų143.483%0.83277%0.769SS**  trans-143.4153.8156.7-167.8157.5-143.700108.7
476N25.9Very low33.1Very low136 Ų136143.6 Ų143.673%0.72777%0.77SS**  trans69.7121.6-168.1-52.2-35.1000114.1
477K30.7Very low32.2Very low189 Ų189143.5 Ų143.582%0.82277%0.768SS**  cis62.4128.846.3-61179.4-179.8170.10111.5
478T30.7Very low31.7Very low116 Ų116143.7 Ų143.771%0.71277%0.768SS**  cis-163.1157.515.45.10000113.3
479N25.6Very low31.2Very low135 Ų135148.6 Ų148.672%0.72278%0.78SS**  trans77.6132140.2-75.83.4000125.4
480T27.8Very low30.8Very low120 Ų120147.1 Ų147.174%0.73678%0.781SS**  trans62.4131.1136.2560000122.8
481L29.4Very low30.5Very low162 Ų162147.4 Ų147.485%0.84878%0.782SS**  -160.5160.7101.6-105.6167.3000113.6
482Q27.5Very low30.4Very low177 Ų177145.8 Ų145.883%0.82777%0.774SS**  trans-81.7172.1163.3-64.6154.1-85.800108.5
483S31.5Very low30.4Very low125 Ų125143.8 Ų143.887%0.87477%0.77SS**  cis-159.2173.7-2.828.70000105.3
484G27.4Very low30.8Very low70 Ų70141.8 Ų141.872%0.72276%0.763SS**  cis170.3-160.44.300000108.6
485A29.5Very low30.7Very low100 Ų100139.1 Ų139.183%0.82676%0.759SS**  trans74.1119167.800000120.8
486E30Very low31.2Very low149 Ų149138.7 Ų138.770%0.69676%0.759SS**  trans78.9111.8140.6-65.2-134.2109.600124.7
487K32.6Very low31.9Very low147 Ų147136.3 Ų136.364%0.63976%0.759SS**  107.7109.7122.6-82.8169.6174.4141.80121.1
488Q33.4Very low32.1Very low155 Ų155134.2 Ų134.272%0.72476%0.757SS**  trans65.5141.4145.5-55.6-178.9-17.900118.5
489H32.2Very low32.6Very low166 Ų166133.3 Ų133.377%0.76976%0.755SS**  cis-151149.3-24.7-89-39.5000104.5
490G32.3Very low33.2Very low68 Ų68130.8 Ų130.870%0.70175%0.753SS**  cis101.9140.549.900000109.8
491R33.2Very low33.8Very low221 Ų221134.2 Ų134.283%0.83476%0.76SS**  cis-167.3143.20.7-92.3-162164.8160.8-4.7112.1
492H33.7Very low34Very low147 Ų147129.6 Ų129.668%0.68175%0.751SS**  trans52.3179141.7-62.6-107.9000119.1H494H492-H494 AromaticContact CE1-NE2 3.56Å; H492-H494 AromaticContact ND1-CD2 3.43Å; H492-H494 PolarHBondContact ND1-CD2 3.34Å; H492-H494 AromaticContact ND1-CE1 3.9Å; H492-H494 AromaticContact ND1-NE2 2.87Å; H492-H494 PolarHBondContact ND1-NE2 2.9Å
493A32.7Very low34.6Very low84 Ų84127 Ų12769%0.69475%0.753SS**  cis-147.4133.84.600000109.5
494H38Very low34.8Very low157 Ų157129.1 Ų129.173%0.72775%0.751SS**  77.7128.880.9-65-52.4000118.2H492H492-H494 AromaticContact CE1-NE2 3.56Å; H492-H494 AromaticContact ND1-CD2 3.43Å; H492-H494 PolarHBondContact ND1-CD2 3.34Å; H492-H494 AromaticContact ND1-CE1 3.9Å; H492-H494 AromaticContact ND1-NE2 2.87Å; H492-H494 PolarHBondContact ND1-NE2 2.9Å
495S31.5Very low35.2Very low119 Ų119130.4 Ų130.483%0.83275%0.749SS**  trans148.4155.5133.2-168.80000112
496M40.5Very low35.7Very low169 Ų169130.7 Ų130.783%0.83375%0.745SS**  -178.2163.2-59.2-112-63.7-166.700109.1
497A40.3Very low36.1Very low87 Ų87129 Ų12972%0.71975%0.75SS**  trans66155.416500000118.9
498D35.3Very low36.2Very low145 Ų145126.2 Ų126.278%0.77575%0.749SS**  cis-168.5-176-38-132-114.5000107.2
499S41.1Very low36.2Very low96 Ų96128.3 Ų128.367%0.67176%0.755SS**  cis-160.1-1712.4-153.30000110.9
500A38Very low36.1Very low82 Ų82125.9 Ų125.968%0.67876%0.757SS**  trans64.5142.5156.600000119.9
501H39.3Very low36Very low192 Ų192127.9 Ų127.989%0.88976%0.761SS**  cis-161.3140.4-8.9-128.4-70000111.4
502G34.4Very low35.9Very low65 Ų65121.4 Ų121.467%0.6775%0.754SS**  trans102.1131.5150.300000121.6
503S39.7Very low35.7Very low122 Ų122119.7 Ų119.785%0.85376%0.758SS**  trans72151157-73.50000120.3
504M36.7Very low35.5Very low171 Ų171125.9 Ų125.984%0.84277%0.766SS**  cis-149.7-118.5-17.2-123.8-57.6175.900113.8
505S34.6Very low35.2Very low97 Ų97125.8 Ų125.868%0.67877%0.769SS**  trans-119.9115.5-147.757.20000119
506S39.7Very low35.1Very low106 Ų106124.5 Ų124.574%0.74176%0.761SS**  trans57.4108.9132.766.10000125.6
507S38.4Very low34.5Very low113 Ų113125.1 Ų125.179%0.7977%0.766SS**  66.6153125122.50000121.3
508S35.6Very low33.9Very low89 Ų89125.7 Ų125.762%0.62277%0.765SS**  cis-164.3152.46.8-90.80000112.9
509K33.9Very low33.7Very low198 Ų198128.1 Ų128.186%0.86177%0.769SS**  trans65.3160.1152.8-70.6168.3-173.8174.30117.7
510S30.3Very low33Very low116 Ų116128.2 Ų128.281%0.81177%0.769SS**  cis-157.9177.7-10.941.10000112.6
511S28.7Very low32.5Very low110 Ų110133.5 Ų133.577%0.76978%0.779SS**  trans-71.3165.5-171.455.10000120.1
512A31.5Very low32.5Very low84 Ų84128 Ų12869%0.69478%0.775SS**  trans110.8152.2130.800000120.5
513S29.3Very low32.1Very low111 Ų111129.9 Ų129.978%0.77678%0.784SS**  trans69.7165.4154.4-66.70000119.6
514Y27.7Very low32.3Very low215 Ų215132.7 Ų132.784%0.84379%0.789SS**  cis-174.5174.2-45.3-137.8-92000106
515L32.9Very low31.9Very low154 Ų154130.4 Ų130.481%0.80679%0.79SS**  trans70.5132.7175.3-51.6173.1000114.7
516S29Very low32Very low93 Ų93133.4 Ų133.465%0.6580%0.798SS**  cis77.210421.8-165.30000116.1
517L28.3Very low31.7Very low181 Ų181132 Ų13295%0.94879%0.792SS**  trans-132156.4144.3-83.2-176.5000110.1
518S26.5Very low31.4Very low99 Ų99133 Ų13369%0.69278%0.783SS**  trans-116.8169.5-169.6-71.10000112.1
519K32.7Very low31.2Very low197 Ų197133.8 Ų133.886%0.85779%0.788SS**  trans19134.2146.8-58.7176.1178.7177.10116.5
520S26Very low31Very low97 Ų97131.6 Ų131.668%0.67879%0.791SS**  178.1167.866.855.50000113.4
521H27.1Very low30.8Very low193 Ų193129.5 Ų129.589%0.89479%0.788SS**  trans60.4152.4164.1-68.2-72.6000118.5
522G39.5Very low30.8Very low78 Ų78131.8 Ų131.880%0.80479%0.792SS**  trans-141.4166.1176.100000110.9
523A25.5Very low30.7Very low104 Ų104135.1 Ų135.186%0.8680%0.797SS**  trans-147.5155170.700000108.5
524L45Very low30.8Very low180 Ų180135.2 Ų135.294%0.94280%0.798SS**  trans-91.6152.5-179.8-66.1166.7000111.3
525S28.3Very low30.9Very low124 Ų124132.8 Ų132.887%0.86780%0.799SS**  trans-146.3150.5160.455.80000109.5
526D36.3Very low30.6Very low160 Ų160128.3 Ų128.386%0.85679%0.791SS**  trans-149.1173.7-154.4-160.9-0.5000112
527A34Very low30.6Very low75 Ų75134.7 Ų134.762%0.6280%0.8SS**  trans65167.4-176.500000114.4
528K30.5Very low30.6Very low134 Ų134133.5 Ų133.558%0.58379%0.794SS**  cis-148.6148.414.6-43.3153.1-176.5170.90106.9N390 K391N390-K528 PolarHBondContact O-NZ 2.85Å; K391-K528 PolarHBondContact O-NZ 3.29Å
529S33.2Very low30.7Very low106 Ų106135.4 Ų135.474%0.74179%0.792SS**  cis-165.4177.9-23.4-66.60000105.2
530V28.4Very low30.7Very low152 Ų152132 Ų13292%0.92179%0.79SS**  cis-138.4-138.98.7-151.50000107.9
531G26.7Very low30.7Very low72 Ų72133.5 Ų133.574%0.74279%0.79SS**  trans177.9-46.2164.700000121.5
532N27.9Very low30.9Very low159 Ų159131.6 Ų131.685%0.8579%0.787SS**  trans-163.7175.9170.1-139.3-18.7000113.4
533L30.1Very low31.4Very low153 Ų153133.1 Ų133.180%0.80178%0.783SS**  trans-84.9-179.2-173.3-70.3160.7000114.9
534S31.1Very low31.4Very low114 Ų114135.1 Ų135.180%0.79778%0.779SS**  trans77.6135.2179.376.90000115.8
535D30.4Very low30.6Very low163 Ų163130 Ų13087%0.87276%0.762SS**  cis-150.5166.8-14.3-139.7-31.4000113.2
536G26.8Very low30.4Very low61 Ų61131.7 Ų131.763%0.62976%0.762SS**  trans-108.7101.2-176.300000114.8
537R28.4Very low30Very low227 Ų227127.4 Ų127.486%0.85775%0.748SS**  trans68.8119.3139-164.6-157.3-73.6-143.6-2.8117.8
538L27.8Very low29.6Very low155 Ų155130.7 Ų130.781%0.81276%0.761SS**  176.6165.8113.1-92.8173.2000114.9
539H28.5Very low29.4Very low139 Ų139128.1 Ų128.164%0.64476%0.764SS**  trans-43.3159.2173.6-99.3-116.8000116.5D541H539-D541 IonicContact CE1-OD1 2.68Å; H539-D541 PolarHBondContact CE1-OD1 2.89Å; H539-D541 IonicContact CE1-OD2 2.8Å; H539-D541 PolarHBondContact CE1-OD2 3Å; H539-D541 IonicContact CG-OD2 4Å; H539-D541 VanDerWaalsContact ND1-CG 3.28Å; H539-D541 IonicContact ND1-OD1 3.65Å; H539-D541 PolarHBondContact ND1-OD1 3.14Å; H539-D541 IonicContact ND1-OD2 3.69Å; H539-D541 PolarHBondContact ND1-OD2 3.3Å
540P33.1Very low29.1Very low127 Ų127129.3 Ų129.383%0.82577%0.767SS**  -132.7176.857.141.3-26.6000118.1
541D27Very low29.1Very low128 Ų128128.6 Ų128.668%0.68476%0.763SS**  trans-84.2150-167.2-49.7-110.2000115H539H539-D541 IonicContact CE1-OD1 2.68Å; H539-D541 PolarHBondContact CE1-OD1 2.89Å; H539-D541 IonicContact CE1-OD2 2.8Å; H539-D541 PolarHBondContact CE1-OD2 3Å; H539-D541 IonicContact CG-OD2 4Å; H539-D541 VanDerWaalsContact ND1-CG 3.28Å; H539-D541 IonicContact ND1-OD1 3.65Å; H539-D541 PolarHBondContact ND1-OD1 3.14Å; H539-D541 IonicContact ND1-OD2 3.69Å; H539-D541 PolarHBondContact ND1-OD2 3.3Å
542D31.2Very low29.1Very low153 Ų153128.6 Ų128.682%0.81876%0.763SS**  trans-104.4159.8146.5-123.5-29.6000106.3
543P48.3Very low29.8Very low110 Ų110126.7 Ų126.771%0.71476%0.759SS**  cis-138-168.28.942.6-23.9000114.5
544N25.7Very low29.6Very low145 Ų145125.1 Ų125.178%0.77576%0.761SS**  157.3141.1116.1-171.430.8000114.5
545A28.9Very low29.5Very low72 Ų72123 Ų12360%0.59575%0.75SS**  trans57.8139160.700000119
546N25.3Very low29.4Very low161 Ų161125.2 Ų125.286%0.86175%0.746SS**  cis57.9146.744-71.7-22.5000114.7
547A27.3Very low29.5Very low69 Ų69131 Ų13157%0.5776%0.755SS**  cis-171160.9-24.900000107.4
548T25.6Very low29.8Very low144 Ų144129.4 Ų129.488%0.88375%0.754SS**  trans64.8166.4174.673.20000114.5
549A25.7Very low30.3Very low80 Ų80127.2 Ų127.266%0.66175%0.749SS**  cis-156.1166.211.800000113.9
550V28Very low30.3Very low132 Ų132124.7 Ų124.780%0.875%0.752SS**  trans60.8110.5139.8174.40000122
551V26.8Very low30.1Very low137 Ų137123.3 Ų123.383%0.8375%0.746SS**  trans42.498.8130.5-165.50000121.8
552G27.1Very low30.2Very low72 Ų72120.9 Ų120.974%0.74274%0.738SS**  66.8-175.8129.500000120.5
553P43.3Very low30.4Very low119 Ų119117.9 Ų117.977%0.77372%0.722SS**  cis-122.9177.4-10.141.8-28.9000114
554S26.1Very low29.5Very low120 Ų120116.3 Ų116.384%0.83971%0.707SS**  trans64.7168.1166.9-65.90000118.2
555A27.5Very low30Very low69 Ų69115.1 Ų115.157%0.5770%0.7SS**  cis-175.5146-43.700000110.1
556R28.6Very low30.2Very low209 Ų209118 Ų11879%0.78971%0.706SS**  trans74146.7152.7-74.4178.9-78.8172-5.3121.7
557F29.1Very low30.7Very low184 Ų184114.2 Ų114.281%0.80770%0.697SS**  trans75.699.5149.9-68.7-51.3000123
558F34.4Very low31.9Very low192 Ų192116.3 Ų116.384%0.84270%0.704SS**  -51.6153.1124.4-90.5-80.9000111.5
559P39.8Very low32.2Very low110 Ų110115.5 Ų115.571%0.71471%0.705SS**  -145.9170.171.646.7-28.4000114.6
560A26.6Very low32.4Very low85 Ų85115 Ų11570%0.70271%0.707SS**  54.9145.5103.600000116.5
561S29.8Very low32.9Very low98 Ų98116.6 Ų116.669%0.68571%0.711SS**  cis177.9157.3-8.546.30000110.9
562C28.6Very low34.1Very low78 Ų78116.2 Ų116.253%0.52771%0.711SS.*  trans64.4157147.5-68.80000119.1T321T321-C562 PolarHBondContact N-O 3.24Å; T321-C562 VanDerWaalsContact N-O 3.15Å
563L34.9Very low34.3Very low90 Ų90115.8 Ų115.847%0.47171%0.706SS.*  cis-167.7176.5-2.8-113.8166000108N320 T321N320-L563 WeakPolarHBondContact OD1-CB 3.48Å; T321-L563 WeakPolarHBondContact CA-O 3.48Å; T321-L563 VanDerWaalsContact CB-O 3.28Å; T321-L563 WeakPolarHBondContact CB-O 3.02Å; T321-L563 PolarHBondContact N-O 3.43Å; T321-L563 PolarHBondContact OG1-O 3.4Å
564D30.4Very low34.9Very low77 Ų77116 Ų11641%0.41271%0.708SS.*  trans76.7150.5134.7-91.95.8000129.7N320 T321N320-D564 HydrophobicContact CB-CB 4.19Å; N320-D564 WeakPolarHBondContact ND2-CB 3.32Å; N320-D564 PolarHBondContact ND2-OD2 2.68Å; N320-D564 WeakPolarHBondContact OD1-CB 3.4Å; N320-D564 PolarHBondContact OD1-OD2 3.23Å; T321-D564 PolarHBondContact OG1-O 2.83Å
565L35.8Very low36.2Very low120 Ų120116.5 Ų116.563%0.62871%0.708SS**  trans69.2146.7147.8-66.2166.6000119.6N320N320-L565 WeakPolarHBondContact ND2-CD1 3.18Å
566N32.9Very low36.3Very low133 Ų133116.4 Ų116.471%0.71171%0.713SS**  cis-157.715510.6-143.6-24.5000115.1
567A36.7Very low36.6Very low81 Ų81112.2 Ų112.267%0.66972%0.716SS**  trans59.8169.3147.400000121.9
568P51.5Low37.5Very low113 Ų113108.9 Ų108.973%0.73471%0.713SS**  cis-134.6173.7-25.226.5-4000116.2
569S33.3Very low37.3Very low127 Ų127105 Ų10589%0.88871%0.71SS**  trans71.9147.3155.669.60000120.5
570G29Very low36.7Very low70 Ų70104.2 Ų104.272%0.72271%0.712SS**  cis169.1124.9-17.900000117.8
571L39Very low36.8Very low165 Ų165111 Ų11186%0.86472%0.72SS**  trans61.8158.7158.7-75.1168000119.9
572P50.8Low36.7Very low129 Ų129114.1 Ų114.184%0.83872%0.724SS**  cis-85.8-164.6640.2-40000113.6
573G33.1Very low36.5Very low63 Ų63114.2 Ų114.265%0.64973%0.725SS**  cis-170.8-177.34.300000114.6
574P55.3Low36.1Very low124 Ų124116.3 Ų116.381%0.80574%0.736SS**  trans-128.8-175.6-164.543.7-30.4000115.7
575P52.8Low36Very low130 Ų130123.2 Ų123.284%0.84476%0.757SS**  cis-125.6-178.7-38.130.3-11000111.7
576G29Very low35.6Very low66 Ų66122.6 Ų122.668%0.6876%0.762SS**  cis160165.2-10.700000114
577S36.4Very low35.3Very low121 Ų121119.8 Ų119.885%0.84677%0.765SS**  trans76.3160.9152.7-52.50000120.3
578P48.3Very low35.1Very low114 Ų114124.7 Ų124.774%0.7477%0.774SS**  -141.9170.3-54.741.8-26.3000115.9
579S29.2Very low34.3Very low111 Ų111124.5 Ų124.578%0.77678%0.775SS**  trans48.4107.5141.9-63.60000123.8
580A28.3Very low35.1Very low93 Ų93124 Ų12477%0.76977%0.769SS**  69.7156.9112.700000123.8
581R27.1Very low35.2Very low228 Ų228125 Ų12586%0.8677%0.77SS**  trans83.4131.3161.6-69.4-173.3170.2-172.9-2.2120.2
582H27.4Very low34.9Very low164 Ų164121.4 Ų121.476%0.75976%0.759SS**  trans76139.4139.2-99.7-90.6000122.6
583S25.9Very low34Very low79 Ų79126.6 Ų126.655%0.55276%0.762SS**  trans71.2117.5136.8-79.80000121.4
584D26.7Very low33.8Very low134 Ų134128.5 Ų128.572%0.71777%0.765SS**  69.9109.4121.3-65.4-69.9000120.6
585R28.1Very low32.7Very low222 Ų222127.6 Ų127.684%0.83876%0.762SS**  85.2130.8113-162.5-171.1-161.4-1368.4118.1
586S27.5Very low31.6Very low107 Ų107127.2 Ų127.275%0.74876%0.757SS**  trans55.9124.915656.40000119.3
587G26.5Very low31.8Very low74 Ų74130.9 Ų130.976%0.76376%0.761SS**  trans178.681.6170.700000115.4
588H31.1Very low31.6Very low184 Ų184131.5 Ų131.585%0.85276%0.759SS**  trans-12.5130.2162.1-62.9-87000119.2
589S35.2Very low30.7Very low110 Ų110134 Ų13477%0.76975%0.754SS**  trans-60.4155.3144.9-35.30000109.7
590P50Low30.8Very low116 Ų116135.3 Ų135.375%0.75375%0.749SS**  -154178.581.641.7-23.5000115.8
591A31.9Very low30.9Very low90 Ų90137.1 Ų137.174%0.74474%0.742SS**  trans53.3150.1136.400000121.9
592S32Very low31.1Very low91 Ų91131 Ų13164%0.63673%0.734SS**  cis-178.2159.5-13.154.80000110.7
593R32.1Very low31.3Very low238 Ų238128 Ų12890%0.89873%0.731SS**  trans67.5155.8153.3-75.4166.7175.6-174-3.1116
594S29.5Very low31.6Very low103 Ų103130.3 Ų130.372%0.7274%0.743SS**  cis-164.9158.2-4.538.70000111.3
595S31Very low31.7Very low105 Ų105131.7 Ų131.773%0.73475%0.749SS**  trans37141.9142.5-129.90000120.5
596V30.2Very low31.6Very low121 Ų121127.1 Ų127.173%0.73374%0.741SS**  cis-156.3155.349.1172.80000112
597N32.9Very low31.7Very low143 Ų143127.8 Ų127.877%0.76575%0.746SS**  trans-25.1163.9161.2-43.8-31.1000117.7
598V32Very low31.9Very low134 Ų134128.9 Ų128.981%0.81274%0.742SS**  cis-163.4169.324.682.90000108.8
599R30.9Very low31.9Very low167 Ų167124.6 Ų124.663%0.6373%0.732SS**  cis-119.9-107.12.1-168.3-169.9160.4-135.5-1.5111.3E601R599-E601 IonicContact CZ-OE1 2.68Å; R599-E601 IonicContact NH1-OE1 2.66Å; R599-E601 PolarHBondContact NH1-OE1 3.41Å; R599-E601 IonicContact NH1-OE2 3.62Å; R599-E601 IonicContact NH2-OE1 3.82Å; R599-E601 PolarHBondContact NH2-OE1 3.49Å
600M30.7Very low31.8Very low138 Ų138129.8 Ų129.868%0.6874%0.735SS**  cis-136.8-122.6-4.4-170.351.2-168.800110.8
601E30.6Very low30.9Very low132 Ų132131.4 Ų131.462%0.61773%0.732SS**  trans-150.5155.6-172-76.5166.3172.400109.5R599R599-E601 IonicContact CZ-OE1 2.68Å; R599-E601 IonicContact NH1-OE1 2.66Å; R599-E601 PolarHBondContact NH1-OE1 3.41Å; R599-E601 IonicContact NH1-OE2 3.62Å; R599-E601 IonicContact NH2-OE1 3.82Å; R599-E601 PolarHBondContact NH2-OE1 3.49Å
602S31.5Very low30.8Very low98 Ų98135.7 Ų135.769%0.68573%0.734SS**  cis-169.3137.3-29.8-171.20000109.3
603S31.6Very low30.8Very low102 Ų102136.2 Ų136.271%0.71374%0.738SS**  trans58.6153.4161.762.20000119.2
604T31.5Very low30.8Very low128 Ų128134.8 Ų134.879%0.78573%0.732SS**  cis-167.6150.4-26.331.90000105.4
605L29.5Very low30.9Very low163 Ų163138 Ų13885%0.85374%0.735SS**  cis-153.8178.41.1-127.6173.7000108.5
606D26.2Very low30.8Very low126 Ų126141.1 Ų141.167%0.67474%0.736SS**  trans-130.6152.7174.7175.636.6000111
607S29.7Very low30.7Very low121 Ų121140 Ų14085%0.84673%0.733SS**  trans-178.2129.2148.3-83.80000111
608S29.8Very low30.6Very low97 Ų97141.4 Ų141.468%0.67874%0.74SS**  trans-123.7146.6178.860.40000114.1
609S32Very low30.6Very low93 Ų93139.2 Ų139.265%0.6574%0.736SS**  trans43.2115.1151.156.60000123.3
610R32.1Very low31.5Very low220 Ų220136.6 Ų136.683%0.8374%0.74SS**  78124.6121.8-64.9178-178.1-168.21.2122.6
611H31.7Very low31.7Very low150 Ų150138.8 Ų138.869%0.69475%0.749SS**  trans83.2120.9132.8-74.8-9.9000122.9
612K29.9Very low31.7Very low180 Ų180139.6 Ų139.678%0.78376%0.758SS**  35.3139.5119.6-61.9179.7177.6-179.90120
613S31.7Very low31.8Very low101 Ų101139.3 Ų139.371%0.70676%0.761SS**  cis180152.4-7.554.20000114.1
614R31.2Very low31.6Very low209 Ų209138.2 Ų138.279%0.78977%0.766SS**  trans87.3136.1139.7-134.7-177.5174.6-175.1-3.9121.3
615H33.3Very low31.6Very low169 Ų169136.9 Ų136.978%0.78277%0.768SS**  trans73.9142.2154.2-78.3-38000119.6
616K28.3Very low32.6Very low172 Ų172134.3 Ų134.375%0.74876%0.761SS**  cis-172.2150.11.9176-167.5176.6-171.90111.4
617S28Very low32.8Very low96 Ų96136.1 Ų136.167%0.67177%0.765SS**  trans61153.3161.446.90000119.8
618L29.5Very low32.9Very low173 Ų173136.8 Ų136.891%0.90676%0.759SS**  cis-157.7174.7-14.4-109.8166.3000109.4
619A33.7Very low33.1Very low88 Ų88140.2 Ų140.273%0.72777%0.769SS**  trans-87.7176-172.700000115.1
620P49.8Very low32.9Very low112 Ų112142.3 Ų142.373%0.72777%0.773SS**  -149.8158.383.839.9-21.9000118.8
621E33.4Very low33.9Very low185 Ų185137.7 Ų137.786%0.86477%0.771SS**  trans50.5162.1140-58.1176.3154.600121.6
622D31.2Very low33.8Very low149 Ų149134 Ų13480%0.79777%0.774SS**  cis-153.9168.610.4-167.920.6000113.7
623A32.7Very low33.8Very low91 Ų91129 Ų12975%0.75277%0.774SS**  trans59.6154.1158.200000121.1
624G27.9Very low34.4Very low80 Ų80130.2 Ų130.283%0.82578%0.779SS**  cis-173.9179.1-1.200000112.9
625A31Very low34.4Very low99 Ų99127.1 Ų127.182%0.81878%0.783SS**  trans-118.4-166.3-177.800000111.3
626P50.9Low34.2Very low109 Ų109127.3 Ų127.371%0.70879%0.786SS**  cis-146.7-177.43.146.1-25.6000118.7
627E31.6Very low35.4Very low164 Ų164124 Ų12477%0.76678%0.782SS**  trans53.7142.7138.1-81.7-170.5119.400129.7
628L31.3Very low35.4Very low135 Ų135126.8 Ų126.871%0.70779%0.79SS**  trans72.3121135.6-74.6168.9000125.3
629L33.5Very low35.4Very low170 Ų170123.6 Ų123.689%0.8978%0.777SS**  168.2157.3106.8-90.6178.6000115
630D27.5Very low35.2Very low137 Ų137127.6 Ų127.673%0.73378%0.78SS**  trans-146136.2172.6171.853.2000109.8
631P52.8Low34.1Very low122 Ų122127.9 Ų127.979%0.79278%0.78SS**  -146.3173.3106.539.3-24000114
632G29.7Very low33.7Very low73 Ų73126.6 Ų126.675%0.75378%0.779SS**  cis136121-3.300000113.4
633G31.1Very low34.2Very low76 Ų76125.3 Ų125.378%0.78478%0.778SS**  trans178.6163.4178.600000114.9
634P43.2Very low33.9Very low126 Ų126126.6 Ų126.682%0.81878%0.782SS**  trans-129.3174.6-148.740-24000119.1
635V32.1Very low34.6Very low143 Ų143128.2 Ų128.287%0.86778%0.778SS**  trans94.3143.2162.4-169.30000118.2
636M29.6Very low34.4Very low173 Ų173131.4 Ų131.485%0.85278%0.776SS**  trans-113.6-178.6-174.3-78.9-89-170.700110.6
637P52.3Low33.4Very low102 Ų102133.8 Ų133.866%0.66278%0.777SS**  cis-133.9162.2-1.240.2-24.2000116.6
638N28Very low33.2Very low156 Ų156132.1 Ų132.183%0.83478%0.783SS**  174.5175118.6-99.7-8.8000113.1
639T29.4Very low33Very low105 Ų105136.1 Ų136.164%0.64479%0.791SS**  trans-112.3141.9-154.649.20000116.6
640H29.3Very low32.5Very low172 Ų172135.3 Ų135.380%0.79678%0.782SS**  158.6148.7115.4-85.3-70.5000114.9
641T26.8Very low32.4Very low118 Ų118139.1 Ų139.172%0.72479%0.788SS**  trans101.591.4152.4-37.20000120.8
642L26.4Very low31.1Very low159 Ų159136.4 Ų136.483%0.83278%0.782SS**  trans61.8-179.8145.2-51.4175.8000118.2
643P40.1Very low31.1Very low121 Ų121141.8 Ų141.879%0.78679%0.792SS**  -122.9161.7-85.138-23.2000114.9
644S26.5Very low31Very low119 Ų119141.3 Ų141.383%0.83279%0.788SS**  trans-156.4158.1179.4-159.70000114.6
645P43.9Very low30.2Very low113 Ų113146.9 Ų146.973%0.73479%0.794SS**  trans-115.8-169.9-176.543.2-33.7000116.4
646H26.9Very low30.2Very low167 Ų167146.4 Ų146.477%0.77379%0.792SS**  trans84.9170.4174.5-93.6-72.7000119.9
647E29.6Very low30.1Very low158 Ų158143.4 Ų143.474%0.73879%0.788SS**  trans-119.5151.1-141.6-56.5150.4106.600115.3
648S26.4Very low28.9Very low129 Ų129144.1 Ų144.190%0.90279%0.793SS**  trans-174.8166.5141-86.90000112.8
649Y27Very low28.9Very low219 Ų219145.4 Ų145.486%0.85979%0.791SS**  trans-99.4136.9-171.5-66.2-104.5000113.7
650H24.4Very low28.9Very low153 Ų153146 Ų14671%0.70880%0.8SS**  176.8150.996.8-121.3-76.9000114.6
651Y25.3Very low28.9Very low218 Ų218143.4 Ų143.486%0.85580%0.801SS**  trans56.1125.1160-84.8-68.4000122.2
652G25.6Very low29.1Very low65 Ų65145.6 Ų145.667%0.6780%0.803SS**  trans132.1111.4142.100000116.4
653L29.7Very low29.1Very low185 Ų185146.7 Ų146.797%0.96980%0.804SS**  trans62.3132.1171.4-55169.7000115.9
654G29Very low28.5Very low67 Ų67152.1 Ų152.169%0.69181%0.809SS**  cis1629.9200000115.5
655Y26.6Very low28.6Very low242 Ų242152.2 Ų152.295%0.94981%0.806SS**  trans-98.2113.3178.3-94.3-94.3000111.3
656T30.8Very low27.7Very low134 Ų134154.7 Ų154.782%0.82281%0.808SS**  trans-132.6139.5174.455.80000111.9
657S28.7Very low28.1Very low109 Ų109154.8 Ų154.876%0.76280%0.801SS**  trans-63.4133.7-177.5-174.10000112.9F659S657-F659 PolarHBondContact O-N 3.07Å
658P27.1Very low27.9Very low118 Ų118155.3 Ų155.377%0.76680%0.804SS**SBendtrans-86.867-170.536.1-37.7000113.5
659F26.8Very low28Very low183 Ų183153.2 Ų153.280%0.80379%0.789SS**  trans-150.956.2162.3-106.8-66.4000113.4S657S657-F659 PolarHBondContact O-N 3.07Å
660S29.1Very low28.4Very low117 Ų117150.3 Ų150.382%0.81879%0.785SS**  trans-145.174.7167.9-167.80000112
661S31Very low29.1Very low118 Ų118146.1 Ų146.183%0.82576%0.764SS**  trans-172.539.2164.646.30000113.2
662Q29.4Very low29.3Very low163 Ų163141.7 Ų141.776%0.76276%0.759SS**  trans-113.1108.9168.1-72-166.9-7.400111.1
663Q27.1Very low29.4Very low182 Ų182148.8 Ų148.885%0.8577%0.765SS**  trans22.8119.4148.5-61175.1-400117.2
664R27.6Very low29.6Very low236 Ų236146.4 Ų146.489%0.89174%0.743SS**  trans-43.6130.3153.9-85.4179.8167.7168.5-4.9108.7Q666R664-Q666 PolarHBondContact O-N 3.15Å
665P27.8Very low29.4Very low121 Ų121151.5 Ų151.579%0.78675%0.749SS**  trans-52.9119.2162-23.934.1000108.3R667P665-R667 PolarHBondContact O-N 3.29Å
666Q25.7Very low29.7Very low164 Ų164151.1 Ų151.177%0.76675%0.746SS**  trans-60.5132.8171-71.2173.4-49.500107.3R664 H668R664-Q666 PolarHBondContact O-N 3.15Å; Q666-H668 PolarHBondContact O-N 3.46Å; Q666-H668 PolarHBondContact O-ND1 3.49Å
667R34.7Very low29.6Very low169 Ų169153.4 Ų153.464%0.63875%0.747SS**  trans-54.3101.5176.1-80.6-172.4170.5-160.2-3.9108.5E92 P665 S669E92-R667 IonicContact OE1-NH1 3.37Å; E92-R667 PolarHBondContact OE1-NH1 3.1Å; P665-R667 PolarHBondContact O-N 3.29Å; R667-S669 PolarHBondContact O-N 3.32Å
668H27.1Very low29.5Very low170 Ų170159.3 Ų159.379%0.78775%0.753SS**  trans-70.7118.9175.8-8364.9000107.8Q666 M670Q666-H668 PolarHBondContact O-N 3.46Å; Q666-H668 PolarHBondContact O-ND1 3.49Å; H668-M670 PolarHBondContact O-N 3.45Å
669S28Very low30Very low85 Ų85159.6 Ų159.659%0.59476%0.755SS**SBendtrans-70.888.7-169.2165.30000112.1R667 Y671R667-S669 PolarHBondContact O-N 3.32Å; S669-Y671 VanDerWaalsContact C-N 3.32Å; S669-Y671 PolarHBondContact OG-O 3.37Å; S669-Y671 VanDerWaalsContact OG-O 3.05Å
670M35.1Very low30.2Very low158 Ų158160.7 Ų160.778%0.77876%0.762SS**SBendtrans-79.7-21.1144-71.3-58-62.800111.4H668H668-M670 PolarHBondContact O-N 3.45Å
671Y38.5Very low30.2Very low65 Ų65158.1 Ų158.126%0.25575%0.754SS.*SBendtrans-92.7108.1175.1-55.5-54000111.1L88 W167 S669 R673L88-Y671 HydrophobicContact CD1-CD1 4.02Å; L88-Y671 HydrophobicContact CD1-CD2 4.42Å; L88-Y671 HydrophobicContact CD1-CE1 3.59Å; L88-Y671 HydrophobicContact CD1-CE2 4.04Å; L88-Y671 HydrophobicContact CD1-CG 4.41Å; L88-Y671 HydrophobicContact CD2-CD1 3.29Å; L88-Y671 HydrophobicContact CD2-CE1 3.52Å; L88-Y671 HydrophobicContact CD2-CG 3.99Å; L88-Y671 HydrophobicContact CG-CD1 4.28Å; L88-Y671 HydrophobicContact CG-CE1 4.21Å; W167-Y671 WeakPolarHBondContact CZ3-OH 3.34Å; S669-Y671 VanDerWaalsContact C-N 3.32Å; S669-Y671 PolarHBondContact OG-O 3.37Å; S669-Y671 VanDerWaalsContact OG-O 3.05Å; Y671-R673 PolarHBondContact O-N 3.05Å
672V29.3Very low30Very low124 Ų124158.4 Ų158.475%0.75276%0.756SS**  trans-66.297-177-1790000110.6R674V672-R674 PolarHBondContact O-N 3.19Å
673R27.7Very low29.9Very low214 Ų214160.1 Ų160.181%0.80876%0.764SS**  trans-62.5115.6178.1-169.8-179.3-163.380.3-1.2110.8Y671Y671-R673 PolarHBondContact O-N 3.05Å
674R34.2Very low30Very low135 Ų135154.5 Ų154.551%0.50976%0.755SS.*  trans-82.8123.6164.7-79-152.8-172.277.519.5111.3I9 V10 V672I9-R674 PolarHBondContact O-NE 3.23Å; I9-R674 PolarHBondContact O-NH1 2.69Å; I9-R674 PolarHBondContact O-NH2 2.82Å; V10-R674 VanDerWaalsContact O-CZ 3.24Å; V10-R674 PolarHBondContact O-NH1 3.46Å; V10-R674 PolarHBondContact O-NH2 3.03Å; V672-R674 PolarHBondContact O-N 3.19Å
675E25.7Very low30Very low175 Ų175150.1 Ų150.182%0.81875%0.754SS**  trans-76.4132.5165.9-163.9151.8-128.100109.6
676R31.6Very low30.1Very low233 Ų233153 Ų15388%0.87976%0.76SS**  trans-112.9111.3171.6-70.6-165.4-172.3-150.79.1108.9
677H28.6Very low30.3Very low182 Ų182149.8 Ų149.884%0.84376%0.761SS**  trans-61.8144.3164.2-71.1-81.7000110.5
678R26.8Very low29.9Very low233 Ų233144.9 Ų144.988%0.87976%0.762SS**  trans-142.4114.6178-162.6-179.7-160152.92.7108.4
679P39.2Very low29.9Very low125 Ų125144.9 Ų144.981%0.81277%0.767SS**  trans-78.9154.9175.232.1-33.4000111.3
680H29.8Very low30.8Very low205 Ų205146.6 Ų146.695%0.94978%0.776SS**  trans-97.2150.6170.6-100.3-80.4000111
681G29.7Very low31.6Very low63 Ų63144.5 Ų144.565%0.64978%0.775SS**  trans176.3143167.800000114.2
682S27Very low32.3Very low125 Ų125147.5 Ų147.587%0.87480%0.802SS**  trans60.8118.5169.551.10000120.6
683E27.7Very low32.1Very low198 Ų198144.8 Ų144.893%0.92580%0.799SS**  trans-83.3176.7151.3-52.3175.7135.500109.1
684G28.8Very low32.3Very low64 Ų64144.3 Ų144.366%0.6681%0.806SS**  cis175.5-1576.700000111.2
685V27.3Very low32.1Very low144 Ų144141.7 Ų141.787%0.87381%0.814SS**  trans79.1113.5178.6-173.60000114.5
686M30.4Very low32.4Very low183 Ų183141 Ų14190%0.90181%0.814SS**  87.9147.154.6-89.6-168.4160.200114.8
687A30Very low33.8Very low96 Ų96135.5 Ų135.579%0.79381%0.808SS**  cis-157.4-173.1-5.100000108.7
688G25.3Very low34.2Very low65 Ų65132.9 Ų132.967%0.6781%0.805SS**  cis-136-151.95.300000112.3
689L28.1Very low34.6Very low171 Ų171133.3 Ų133.390%0.89581%0.807SS**  cis79.4146.918.6-52.2178.9000115.5
690P46.4Very low34.5Very low120 Ų120131.6 Ų131.678%0.77980%0.803SS**  cis-137.1-135.222.232.7-5.3000116.2
691P51.3Low34.6Very low115 Ų115127.6 Ų127.675%0.74780%0.798SS**  -123.3-151.2-90.943.1-25.1000113.3
692P53.3Low34.7Very low128 Ų128129.4 Ų129.483%0.83180%0.801SS**  cis-128.2-177.8-14.941.1-23.8000114.9
693G26.3Very low35Very low67 Ų67130.5 Ų130.569%0.69180%0.796SS**  cis167.7-175.1-7.700000114.9
694Q30.5Very low35.1Very low204 Ų204128.6 Ų128.695%0.95379%0.787SS**  trans75.2144.6170.1-53.7-172.813.400119.9
695A30Very low35.2Very low80 Ų80132.3 Ų132.366%0.66179%0.791SS**  cis-167.5136.7-23.200000115.3
696I31.8Very low35.2Very low160 Ų160133.1 Ų133.182%0.82179%0.79SS**  trans62125139.5-64.1173.7000119.5
697P62.7Low35.1Very low117 Ų117129.3 Ų129.376%0.7678%0.781SS**  -134.7-152.761.726.50.2000113.9
698T36.6Very low35.6Very low127 Ų127130.3 Ų130.378%0.77978%0.78SS**  cis-151.2-110.916-35.70000116
699R34.6Very low35.9Very low242 Ų242135.2 Ų135.291%0.91379%0.785SS**  trans-163.4171.1-164.1-85-177.2176.4-179.8-1.8109
700A36.2Very low35.8Very low90 Ų90133.6 Ų133.674%0.74478%0.777SS**  cis-173.9-171.7-17.200000105.7
701S33.2Very low35Very low121 Ų121134.8 Ų134.885%0.84677%0.772SS**  cis-175.7170.9-10.9-114.50000106.2
702S32.5Very low33.9Very low100 Ų100137 Ų13770%0.69977%0.772SS**  cis-170.7-176.3-15.2-170.50000109
703L31.6Very low32.7Very low148 Ų148142.4 Ų142.478%0.77578%0.776SS**  trans68.1152.8175.6-59.9178.6000117.8
704Q31.5Very low32.7Very low159 Ų159144.4 Ų144.474%0.74378%0.775SS**  cis-168.5165.7-28.2-163.9174.420.400110.4
705L30.6Very low32.5Very low142 Ų142141 Ų14174%0.74376%0.763SS**  trans99.2116.8158.2-60.7173.2000122.7
706L27.6Very low32.4Very low160 Ų160144.6 Ų144.684%0.83877%0.77SS**  trans78.2151137.2-66171.4000123.7
707S27.9Very low32.3Very low103 Ų103143.8 Ų143.872%0.7277%0.773SS**  trans-127.3177.4-177.1-44.80000111.1
708P40.5Very low30.7Very low118 Ų118141 Ų14177%0.76677%0.766SS**  -123150.294.90.721.3000112.1
709Q30.1Very low30.4Very low167 Ų167143.6 Ų143.678%0.7877%0.769SS**  57.8138.667.3-61.9-169.4-20.300113.2
710L27.8Very low30.1Very low138 Ų138136.4 Ų136.472%0.72376%0.756SS**  cis-140.7172.615.9-76.689000109.3
711Q28.7Very low29.7Very low145 Ų145138.4 Ų138.468%0.67876%0.758SS**  cis-163.4174.9-23.2-104.5-175.15.200109.6
712H29.2Very low29.4Very low162 Ų162138 Ų13875%0.7576%0.755SS**  trans-20.5159.9165.6-47.7-67000119.3
713R26.1Very low29.2Very low240 Ų240137.1 Ų137.191%0.90675%0.75SS**  cis-162.1175.445.7-156.1169.9-178.6178.31114.9
714T28.2Very low29.1Very low110 Ų110135.4 Ų135.468%0.67575%0.75SS**  trans-87.8160.4-168.854.20000116.5
715N25.9Very low29.1Very low132 Ų132137.4 Ų137.471%0.70675%0.75SS**  176.6131.2119.2-82.5-2.9000108.8
716L27.5Very low29.1Very low155 Ų155137 Ų13781%0.81275%0.745SS**  52123.884.2-62.6172000112.1
717T29.5Very low29.1Very low143 Ų143136.3 Ų136.388%0.87774%0.742SS**  cis-146.5170.921.649.90000111.1
718G28.6Very low29.1Very low60 Ų60136.7 Ų136.762%0.61974%0.743SS**  cis164.9159.7-2.400000111.3
719H30.4Very low28.6Very low181 Ų181136.8 Ų136.884%0.83874%0.742SS**  trans67.7127175.2-57.2-70.3000117.5
720S27.8Very low28.6Very low90 Ų90135.7 Ų135.763%0.62974%0.742SS**  cis8213035.981.90000113.4
721V28.2Very low28.6Very low132 Ų132135.6 Ų135.680%0.874%0.741SS**  cis-157154.95.7-110.80000109.5
722S26.8Very low28.7Very low112 Ų112135.9 Ų135.978%0.78375%0.745SS**  53.5148.3100.6-1350000116.6
723S28.9Very low28.7Very low83 Ų83134.3 Ų134.358%0.5875%0.747SS**  cis-160.5138.4-3106.10000107.5
724S30.1Very low28.9Very low111 Ų111133.6 Ų133.678%0.77674%0.744SS**  74.615983.7-52.30000116.9
725R30.6Very low28.9Very low201 Ų201132.2 Ų132.276%0.75874%0.739SS**  trans99.4130163.7-48.9-154.291.1158.81.5118.5
726E30.1Very low29Very low134 Ų134133.8 Ų133.863%0.62674%0.742SS**  cis-112.2-97.5-16.7-66.4-67.564.500112.7
727D27.6Very low29Very low146 Ų146134 Ų13478%0.78174%0.739SS**  cis-161.7-175.9-1.3-141.9125.9000112.1
728C28Very low30.5Very low110 Ų110132.3 Ų132.374%0.74373%0.731SS**  trans-103177.8-176.3-53.50000113.2
729T30.3Very low31.3Very low121 Ų121135.7 Ų135.774%0.74274%0.742SS**  cis-154160.320.850.10000113.5
730D30.2Very low31.4Very low144 Ų144135.7 Ų135.777%0.7774%0.739SS**  trans47.6118139.8-64.5-39.1000125.7
731D27.9Very low31.7Very low135 Ų135138 Ų13872%0.72274%0.744SS**  73.5164.7111-150.117000123.4
732M30Very low31.9Very low151 Ų151140.6 Ų140.674%0.74475%0.75SS**  trans77.6106.9161.3-134.266.965.900120
733T30.3Very low31.9Very low130 Ų130140.9 Ų140.980%0.79875%0.752SS**  trans-70.2151.815959.60000112.1
734R29.5Very low32.6Very low225 Ų225145.8 Ų145.885%0.84977%0.765SS**  143.1138.1117.1-177.4171.4177.4174.71.4117.3
735S28.3Very low33.8Very low81 Ų81146.1 Ų146.157%0.56677%0.765SS**  trans72.3125.4154.2-83.30000122.5
736E27.9Very low33.7Very low164 Ų164142.7 Ų142.777%0.76677%0.77SS**  trans62.8151.8136.3-58.8-169.6122.100120.6
737Q28.9Very low33.7Very low160 Ų160140.7 Ų140.775%0.74878%0.777SS**  cis-155.4166.6-30.2-113.5-158.23700108
738P60.9Low34.8Very low108 Ų108138.6 Ų138.670%0.70177%0.771SS**  trans-79157.5-172.835-37.6000113.4
739P43.8Very low35.1Very low131 Ų131140.3 Ų140.385%0.85177%0.771SS**  -146.6-156.896.341.6-24.8000114.2
740K32.7Very low35.3Very low180 Ų180142.2 Ų142.278%0.78377%0.769SS**  trans-100.2169.5-168.6-44.2179.1176.2-177.50115.5
741D35.2Very low35.3Very low138 Ų138141.5 Ų141.574%0.73877%0.766SS**  trans56.6110.5143.7-55.7-31.1000120.2
742M32.8Very low35.7Very low188 Ų188139.6 Ų139.693%0.92676%0.763SS**  -177.8128.2124.3-101.2-145.514700113.3
743S25.8Very low36Very low118 Ų118138 Ų13883%0.82576%0.761SS**  166.1136.4112.662.40000113.6
744H43.3Very low36.1Very low186 Ų186141.8 Ų141.886%0.86176%0.761SS**  trans-88.8167.2169.7-77.9-62.5000109.9
745P55.4Low36.2Very low117 Ų117136.4 Ų136.476%0.7675%0.749SS**  -155.5-179.466.243-20.6000119.9
746C28.6Very low36.1Very low130 Ų130139.7 Ų139.788%0.87876%0.76SS**  trans85.9149.1162.2-70.10000119.7
747A31Very low36.2Very low92 Ų92136.2 Ų136.276%0.7675%0.754SS**  trans-136.5-163-174.400000107.5
748P51.1Low36.2Very low102 Ų102133.7 Ų133.766%0.66276%0.761SS**  cis-150.6177.544.544-23.1000117.9
749I33Very low34.6Very low146 Ų146132.6 Ų132.675%0.74976%0.761SS**  trans63.9129.6142.7-74.9162.4000117.8
750K34.5Very low34Very low160 Ų160135.3 Ų135.370%0.69676%0.76SS**  cis-164.8157.15.7-117.7-175171.7-157.40113.4
751D31.3Very low33.9Very low130 Ų130134.3 Ų134.370%0.69576%0.757SS**  trans41.7147.4135.8-54.5-10.2000122.9
752S35.3Very low33.5Very low94 Ų94132.6 Ų132.666%0.65775%0.752SS**  cis-169.6141.9-21.6-166.80000112.6
753T35.9Very low33.4Very low117 Ų117132.7 Ų132.772%0.71875%0.75SS**  trans30.6133.8144.862.20000123.3
754R32.2Very low33.5Very low211 Ų211138.1 Ų138.180%0.79675%0.753SS**  140.8150.394.9-121.1177.4111.2139.97116.6
755D31.6Very low32.9Very low111 Ų111133.6 Ų133.659%0.59474%0.742SS**  trans54.3108.9150.1-69.9-2.5000123.8
756N27.9Very low31.7Very low150 Ų150136.6 Ų136.680%0.80274%0.743SS**  83.5158.3113-160.623.8000120.6
757S29.6Very low31.6Very low91 Ų91136.9 Ų136.964%0.63674%0.736SS**  trans91.7116.8158.4-43.10000120.2
758A27.8Very low31.4Very low107 Ų107140.4 Ų140.488%0.88474%0.736SS**  trans61.6153133.900000121.9
759A28.7Very low30.2Very low85 Ų85142.1 Ų142.170%0.70275%0.745SS**  trans-107.1158.2167.900000110.3
760F30Very low29.9Very low189 Ų189138.7 Ų138.783%0.82975%0.745SS**  trans170.8136.2132.9-106-76000112.3
761H31.3Very low29.6Very low159 Ų159138 Ų13874%0.73675%0.746SS**  trans60.7157.7147.7-92.228.5000119.6
762T27.5Very low29.5Very low102 Ų102140.8 Ų140.863%0.62675%0.748SS**  cis-163.5145.1-19.710.70000110.6
763Q29.6Very low29.1Very low189 Ų189144.8 Ų144.888%0.88376%0.756SS**  trans-177.3124.4139-100.3163.924.200106.7
764R29.1Very low28.9Very low233 Ų233145 Ų14588%0.87975%0.753SS**  cis72.511937.7-140.6-165.4-172.3-165.93.8109.9
765S29.1Very low29.4Very low90 Ų90140.2 Ų140.263%0.62975%0.749SS**  cis-174.3173.949.959.50000114.3
766K30.5Very low29.4Very low181 Ų181143.1 Ų143.179%0.78776%0.759SS**  trans76.5133.6168.4-54.3177.2-176.4-177.30115.1
767N26.8Very low29.5Very low136 Ų136139.7 Ų139.773%0.72776%0.759SS**  cis70140.640.9-64.141.2000112.3
768E26.9Very low29.5Very low165 Ų165144.1 Ų144.177%0.77177%0.77SS**  cis-148.8-176.120.9-150.9134.5-10600115.1
769V26.5Very low29.6Very low139 Ų139146.6 Ų146.684%0.84277%0.768SS**  trans-71.6151.3-174.8176.80000113.6
770G26.6Very low29.6Very low73 Ų73147.1 Ų147.175%0.75377%0.772SS**  trans-163.2146163.200000112.1
771M27.6Very low29.5Very low146 Ų146141.6 Ų141.672%0.71977%0.769SS**  trans-134.5162.3-175.5-78.1-153.17600113.7
772Y28.3Very low29.4Very low188 Ų188140.1 Ų140.174%0.73778%0.776SS**  trans57.2112.4159.4-73.6-67.8000118.7
773H27.8Very low29.6Very low179 Ų179140 Ų14083%0.82978%0.779SS**  -171.9155.185.6-111.2-79000112.8
774D32Very low29.4Very low120 Ų120141.1 Ų141.164%0.64278%0.781SS**  trans-114.1149.6162.4174.645.1000108.1H776D774-H776 PolarHBondContact OD1-N 3.24Å
775P43.1Very low29.6Very low111 Ų111136.8 Ų136.872%0.72177%0.771SS**  -148.5129.7118.535-17.4000117.2
776H31.4Very low29.6Very low172 Ų172140.2 Ų140.280%0.79678%0.783SS**  trans44.1129.9132.2-83.5-92.8000122.5D774D774-H776 PolarHBondContact OD1-N 3.24Å
777G29.6Very low29.7Very low78 Ų78140 Ų14080%0.80478%0.777SS**  trans-168.1113.2161.500000113.7
778E28.8Very low29.8Very low185 Ų185141.5 Ų141.586%0.86478%0.781SS**  trans-70131.6-158.3-61.5-180133.400119.6
779D31.3Very low30Very low159 Ų159138.4 Ų138.485%0.8577%0.769SS**  70164.9116.9-15017.7000124.1
780A27.3Very low30Very low95 Ų95140.6 Ų140.679%0.78577%0.768SS**  trans76.8143.7170.200000119.6
781G28.2Very low30.1Very low74 Ų74142.4 Ų142.476%0.76376%0.764SS**  trans-163.4-106-17500000115.6
782S29.9Very low30Very low127 Ų127144.5 Ų144.589%0.88877%0.772SS**  trans84.6154.1179.7-155.30000118.8
783S30.6Very low30Very low99 Ų99140.6 Ų140.669%0.69277%0.772SS**  trans-78.3165.1-160.754.20000117.8
784K26.8Very low29.9Very low214 Ų214141.1 Ų141.193%0.9378%0.777SS**  -161.1164.7122.2-111.6165.3-174.2172.90115.9
785E32.8Very low30Very low141 Ų141141.3 Ų141.366%0.65979%0.785SS**  trans-98.2160.4-169.3178.6-164.6151.800112.1R787E785-R787 VanDerWaalsContact OE1-CG 3.24Å; E785-R787 WeakPolarHBondContact OE1-CG 3.46Å; E785-R787 IonicContact OE1-NE 3.46Å; E785-R787 PolarHBondContact OE1-NE 3.35Å
786N28.5Very low29.3Very low163 Ų163147.7 Ų147.787%0.87280%0.795SS**  trans-149.2154.8144.8-125.7-29.7000113.9
787R32.7Very low29.1Very low176 Ų176151.3 Ų151.366%0.66480%0.801SS**  trans-106.9172.8-162.8-62.9167.3160.8-167.7-6.7114.2E785 I789E785-R787 VanDerWaalsContact OE1-CG 3.24Å; E785-R787 WeakPolarHBondContact OE1-CG 3.46Å; E785-R787 IonicContact OE1-NE 3.46Å; E785-R787 PolarHBondContact OE1-NE 3.35Å; R787-I789 HydrophobicContact CB-CD1 4.38Å
788M28.8Very low29Very low168 Ų168154.4 Ų154.483%0.82881%0.805SS**  173.6172117.9-85.3-85.6-96.200111.1
789I30.8Very low28.9Very low100 Ų100149 Ų14951%0.51380%0.798SS.*  -145.6180-99.2-91.4159.2000109.4R787R787-I789 HydrophobicContact CB-CD1 4.38Å
790F27.9Very low28.7Very low185 Ų185146.4 Ų146.481%0.81179%0.792SS**  trans100.2153.1171.4-67.7-84.1000118
791T27.2Very low28.6Very low110 Ų110150.9 Ų150.968%0.67579%0.794SS**  -179.6135.3-89.642.50000109.8
792E26Very low28.5Very low191 Ų191158.3 Ų158.389%0.89380%0.801SS**  trans177.6168.1149.7-102-173.2158.200109.2
793S28.6Very low28.3Very low105 Ų105163.9 Ų163.973%0.73480%0.803SS**  177.992.9-51.5-90.30000108.1
794M25.6Very low28Very low190 Ų190163 Ų16394%0.93681%0.809SS**PPolyproline II helixtrans-88.2125.2178.4-87.8-169.3165.100112.7
795P33.7Very low27.9Very low125 Ų125160.3 Ų160.381%0.81281%0.811SS**PPolyproline II helixtrans-82.8138170.632.4-32.9000112.2
796R30.1Very low27.6Very low245 Ų245157 Ų15793%0.92582%0.815SS**PPolyproline II helixtrans-94149.5169.3-73.5-170.5176.1-153.80.3111.5
797R27.1Very low27.5Very low247 Ų247158.7 Ų158.793%0.93282%0.817SS**PPolyproline II helixtrans-90.5131.6178.8-170.8-173-69.8173.6-3.4111.1
798V27Very low27.3Very low144 Ų144153.7 Ų153.787%0.87382%0.821SS**  trans-129.3159.4166.2-172.50000106.8
799G25.8Very low27.2Very low70 Ų70158 Ų15872%0.72283%0.828SS**  trans-163.4-156.9-174.600000116.1
800S28.5Very low27.2Very low105 Ų105156.7 Ų156.773%0.73484%0.839SS**  trans101.395.8177.5-168.40000117.9
801F24.4Very low27.5Very low189 Ų189154.4 Ų154.483%0.82984%0.843SS**  trans42126.8137.3-63.2-78.8000122.7
802Y26.6Very low27.6Very low231 Ų231153.1 Ų153.191%0.90685%0.851SS**  -157.5173.9102.4-123.8-91.8000112.6
803R25.1Very low27.8Very low243 Ų243150.7 Ų150.792%0.91785%0.849SS**  trans-88.2153.3-177.2-72.6177.2167.3-177.3-3.9113.8
804G24.9Very low28.3Very low81 Ų81151 Ų15184%0.83585%0.848SS**  trans-167.2133.1161.500000112.7
805V24.8Very low28.5Very low158 Ų158147.9 Ų147.996%0.95884%0.839SS**  trans-97.1144.7-172.4-179.80000111.6
806G25.2Very low28.1Very low72 Ų72147.8 Ų147.874%0.74284%0.836SS**  trans-165.1157.5172.200000113.2
807Q27Very low27.9Very low197 Ų197143 Ų14392%0.92184%0.835SS**  trans-117.4140.8-172.6-68.5-179.2-14.900114
808G27.8Very low27.9Very low72 Ų72135 Ų13574%0.74283%0.829SS**  69.9114.8120.300000122.7
809R26.9Very low27.8Very low259 Ų259135.6 Ų135.698%0.97783%0.827SS**  trans72.7140.9146.9-61.5-175.6171.8-157-1.9120.7
810G31.1Very low28.5Very low72 Ų72137.5 Ų137.574%0.74283%0.827SS**  trans116.4117.9137.500000117.2
811P33.4Very low28.5Very low137 Ų137136.3 Ų136.389%0.8983%0.831SS**  trans-88155.6157.236.2-31.7000111.1
812G30.2Very low28.9Very low82 Ų82130.8 Ų130.885%0.84583%0.827SS**  trans12085.1167.200000116.3
813V29Very low29.1Very low140 Ų140128.4 Ų128.485%0.84883%0.827SS**  trans-73.2156.3164.3162.80000109.6
814P41.1Very low29.5Very low112 Ų112120.8 Ų120.873%0.72782%0.816SS**  cis-139-169.315.925.81.6000118
815V28.3Very low29.9Very low124 Ų124122.7 Ų122.775%0.75281%0.807SS**  trans86.582.9154.1-156.20000121.1
816V26Very low30.3Very low123 Ų123122.7 Ų122.775%0.74580%0.796SS**  33.9113.5115.4-177.60000119.3
817T26.1Very low30.5Very low145 Ų145124.8 Ų124.889%0.8980%0.799SS**  174.6156.199.2-17.90000110.8
818G27.7Very low30.6Very low78 Ų78123.8 Ų123.880%0.80479%0.792SS**  trans118.499.7156.500000118.6
819D23.9Very low30.6Very low157 Ų157131.9 Ų131.984%0.8480%0.8SS**  trans-114.7173.7159-152.733.8000106.1
820P41.6Very low30.7Very low110 Ų110127 Ų12771%0.71479%0.788SS**  cis-141.5173.9544.4-26.8000118
821G28.3Very low30.6Very low80 Ų80130.3 Ų130.383%0.82579%0.794SS**  trans75.8159.8152.800000117.5
822G32.2Very low30.4Very low73 Ų73128.3 Ų128.375%0.75379%0.789SS**  cis156.7161.73.400000108.5
823M30.3Very low30.1Very low181 Ų181132.9 Ų132.989%0.89279%0.786SS**  cis-158.3177.7-0.2-62177.463.200109.4
824A34.7Very low30.1Very low83 Ų83131.6 Ų131.669%0.68678%0.775SS**  trans80154.5140.100000119.4
825N33.4Very low29.5Very low121 Ų121135 Ų13565%0.64777%0.773SS**  cis-156.7155.44.5-138.8-7.6000117.1
826H33.2Very low29.6Very low159 Ų159135 Ų13574%0.73677%0.773SS**  trans60.9159.3153.7-65.1-29000120.6
827S27.5Very low29.8Very low116 Ų116133.4 Ų133.481%0.81177%0.773SS**  cis-141.9175.48.1-153.80000114.7
828K30Very low29.9Very low175 Ų175131 Ų13176%0.76177%0.768SS**  trans-102.9158.9-172.9-60.7179.3178.3-178.70114.5
829R27.9Very low30Very low243 Ų243136.6 Ų136.692%0.91777%0.773SS**  -152.5150.1127.1-123178.1-169.9-109.12.3112.3
830Q29.1Very low30.3Very low157 Ų157133.5 Ų133.573%0.73477%0.769SS**  trans-128.4161.4175.7-65.2166.5-94.700109.3
831T27.9Very low29.7Very low140 Ų140136.8 Ų136.886%0.85978%0.777SS**  trans-150.2147.5142.638.30000108.8
832A30.4Very low29.7Very low96 Ų96138.8 Ų138.879%0.79377%0.773SS**  trans-156.1154-179.500000112.1
833F24.7Very low29.4Very low177 Ų177143.8 Ų143.878%0.77678%0.779SS**  trans-164.5140.2165.4-142-105.2000107.9W835F833-W835 AromaticContact CE1-CD1 3.56Å; F833-W835 HydrophobicContact CE1-CG 4.39Å; F833-W835 AromaticContact CZ-CD1 3.52Å
834D27.2Very low29.5Very low114 Ų114142.2 Ų142.261%0.6177%0.774SS**  cis111.6149.82.7-158.117.4000115.1
835W29.8Very low30.3Very low183 Ų183143.5 Ų143.569%0.69378%0.776SS**  trans65.6127.8-178.8-56.389.3000116.9F833F833-W835 AromaticContact CE1-CD1 3.56Å; F833-W835 HydrophobicContact CE1-CG 4.39Å; F833-W835 AromaticContact CZ-CD1 3.52Å
836T29.6Very low30.8Very low123 Ų123143.4 Ų143.476%0.75578%0.782SS**  cis-154.1-178.71.3-20.60000106.9
837A29.4Very low30.6Very low90 Ų90143.3 Ų143.374%0.74478%0.782SS**  cis-150.3-146.58.900000108.2
838A29.4Very low31.3Very low94 Ų94142.8 Ų142.878%0.77778%0.776SS**  cis-161.4178.77.700000111.2
839E29.8Very low31.2Very low197 Ų197138.4 Ų138.492%0.92176%0.764SS**  trans-122.7171.9-179.9-59.9174126.200110.3
840A30.2Very low31.2Very low91 Ų91135.6 Ų135.675%0.75276%0.758SS**  cis-152155.323.500000109.1
841M29.4Very low31.3Very low179 Ų179134.6 Ų134.688%0.88275%0.754SS**  99.7147.451.1-152-170.3-14900113.2
842V28.3Very low31.3Very low123 Ų123135.4 Ų135.475%0.74575%0.745SS**  trans90.9109.6162.9-172.90000121.3
843M25.1Very low31.2Very low178 Ų178139.8 Ų139.888%0.87775%0.749SS**  trans61156.1141.9-62.8-64.9-174.300126.2
844N32.1Very low31.3Very low147 Ų147139.4 Ų139.479%0.78675%0.747SS**  trans-131.4171.8167.5-112.7-89.8000107.9
845P51.1Low31.3Very low110 Ų110142.6 Ų142.671%0.71476%0.758SS**  cis-106.6-101.55.8195.4000114.3
846P45.1Very low31.2Very low120 Ų120137.5 Ų137.578%0.77976%0.763SS**  cis-121.6-157.315.945.4-31.2000115.1
847E29Very low31.2Very low156 Ų156140.1 Ų140.173%0.72976%0.764SS**  trans-128.3167.3168.2-147.4-158-100.600108.2T849E847-T849 PolarHBondContact OE2-N 3.08Å
848P42Very low31.1Very low106 Ų106142.7 Ų142.769%0.68876%0.759SS**  -157.315080.742.8-22.1000119.4
849T28.4Very low31.1Very low83 Ų83146.5 Ų146.551%0.50976%0.758SS.*  trans49.5129.3135.567.20000125.9E847E847-T849 PolarHBondContact OE2-N 3.08Å
850K26.8Very low31.3Very low184 Ų184141 Ų14180%0.875%0.746SS**  59.8167.6116.7-53.7167.6-172.2166.80119.4
851E31.1Very low31.7Very low136 Ų136143.3 Ų143.364%0.63674%0.744SS**  cis-158.1176.717.6-146.9177.1-154.300113.3
852K27.3Very low31.8Very low156 Ų156144 Ų14468%0.67874%0.743SS**  trans18.4155.4153.4-72.4157.6-160.8154.40121.2
853Q29.3Very low32Very low189 Ų189147.9 Ų147.988%0.88375%0.749SS**  cis-166.817448.9-154.9167.417.500114.6
854K25.9Very low32.4Very low169 Ų169149.3 Ų149.374%0.73575%0.751SS**  trans-94165.9-175.1-50.9175.4177.1178.20114.9
855Q28.5Very low32.3Very low180 Ų180151.4 Ų151.484%0.84175%0.753SS**  trans72.1153.6143.6-78.3163.8-69.800121
856G28.2Very low31.5Very low76 Ų76155.9 Ų155.978%0.78476%0.761SS**  trans125.787.2177.100000112.7
857F27.9Very low30.6Very low179 Ų179158.1 Ų158.179%0.78576%0.758SS**  cis90.5106.341.9-139.6-98.2000115
858F28.6Very low30.6Very low144 Ų144155.4 Ų155.463%0.63275%0.753SS**  trans78121.1147.8-96.3-132.2000124.8
859K28.9Very low29.8Very low173 Ų173158.7 Ų158.775%0.75276%0.759SS**  67.8129.9127.8-86-167.3-174.4176.70123.8
860A35Very low29.8Very low83 Ų83161.9 Ų161.969%0.68677%0.771SS**  83.8153.1124.800000120
861I37.2Very low29.9Very low139 Ų139159.3 Ų159.371%0.71377%0.771SS**  cis-167165.6-9.9-111.4170.7000110.9
862K31.5Very low29.6Very low194 Ų194159.2 Ų159.284%0.84378%0.775SS**  trans70.3156.7172.8-73.3149.5-168.7172.30115.5
863K33.4Very low29.7Very low203 Ų203156.9 Ų156.988%0.88377%0.773SS**  cis-113-1404.1-128.7159.8-174.71720110
864K32.2Very low29.7Very low208 Ų208156.3 Ų156.390%0.90477%0.771SS**  cis-134.4-142.71.4-160.6-179.9178.8-178.90108.9
865K31.5Very low29.9Very low192 Ų192155.8 Ų155.884%0.83578%0.776SS**  trans-161100.5-171.4-173.9-177.6176.8-1780117.6
866K33Very low29.9Very low204 Ų204149.9 Ų149.989%0.88776%0.764SS**  trans58.8179.7150.8-96.3175.2175.6176.60117.8
867K27.4Very low30.1Very low166 Ų166157.8 Ų157.872%0.72277%0.77SS**  cis-164.5145.426.3-158.2-156.3167.6-161.70114.9
868T28.5Very low30.4Very low100 Ų100156.9 Ų156.961%0.61377%0.774SS**  trans62.4159.5151.935.20000120.1
869Q24.8Very low31.1Very low174 Ų174156 Ų15681%0.81378%0.782SS**  cis-145.1-173.45.2-149.9148.1-25.100113.2
870I29.4Very low31.2Very low150 Ų150152.8 Ų152.877%0.76978%0.781SS**  trans-121.6136.6177.8-62.5163.3000109.3
871T28Very low30.9Very low130 Ų130156.5 Ų156.580%0.79879%0.788SS**  trans167.9163.5158.834.60000109.2
872D26.1Very low30.4Very low134 Ų134158.2 Ų158.272%0.71779%0.79SS**  cis-167.2170.9-40.6-128.6-45.6000110.4
873V28.6Very low30.3Very low107 Ų107158.1 Ų158.165%0.64879%0.79SS**  trans62.1121151.5168.40000122.1
874E28.3Very low30Very low178 Ų178153 Ų15383%0.83278%0.779SS**  trans41.6169.4138.1-46.7-179138.600122.1
875D29.9Very low29.9Very low157 Ų157151 Ų15184%0.8478%0.778SS**  cis-150.7-174.5-6.1-162.84.7000109.7
876G29.4Very low29.9Very low57 Ų57150.9 Ų150.959%0.58878%0.778SS**  108.184.1118.900000119.9
877R32Very low30.4Very low241 Ų241146 Ų14691%0.90977%0.767SS**  trans-6.7143155.3-58.4172.5-176.2171.62.4120.5
878N34.3Very low30.5Very low161 Ų161144.9 Ų144.986%0.86177%0.768SS**  trans-20.4142.1154.6-78.8-24.1000116.7
879P44.8Very low30.6Very low124 Ų124148.6 Ų148.681%0.80578%0.776SS**  -143.3166.796.139.7-27.5000115.9
880S29.3Very low30.7Very low106 Ų106145 Ų14574%0.74177%0.77SS**  trans-76.4149166.565.90000111.9
881I29.6Very low30.7Very low162 Ų162143 Ų14383%0.83177%0.769SS**  -162.1155126.9-106.9158000114.1
882K26.6Very low30.6Very low174 Ų174145.9 Ų145.976%0.75777%0.771SS**  trans-60.2171.3-177.5-48.3156.2-174.9173.10114.1
883K29.3Very low30.8Very low193 Ų193146.5 Ų146.584%0.83977%0.774SS**  trans75.3150.5159-63.1172.7179.5-178.10115.7
884S27.1Very low30.7Very low94 Ų94146.1 Ų146.166%0.65778%0.776SS**  cis171.1146.7-29.751.30000106.8
885L30.5Very low30.6Very low167 Ų167145.2 Ų145.287%0.87478%0.776SS**  trans-178.4115.9132.4-99155.7000110.8
886F31.9Very low30.5Very low189 Ų189146 Ų14683%0.82977%0.772SS**  trans-75.1-176.2148.7-65.8-101.9000108.1
887P42.3Very low30.4Very low102 Ų102150.8 Ų150.866%0.66278%0.779SS**  -149.6-174.190.234.5-13.5000115.3
888L30.5Very low30.2Very low143 Ų143146.1 Ų146.175%0.74977%0.772SS**  trans78.9128.2163.8-29.8179.4000118.9
889F30.6Very low29.9Very low178 Ų178144 Ų14478%0.78177%0.77SS**  cis-158.7135.4-24.6-126.3-90.9000109.8
890S26.9Very low29.2Very low97 Ų97143.2 Ų143.268%0.67877%0.774SS**  trans61.8149.4132.9168.90000123.3
891S28.5Very low29.1Very low108 Ų108142 Ų14276%0.75578%0.778SS**  cis-165.5178.7-12.9-88.10000111.1
892K27Very low29Very low191 Ų191143.8 Ų143.883%0.8378%0.78SS**  trans-105.1170.3168.2-65.5-177.8175.81790112.6
893N28.9Very low29.2Very low147 Ų147143.7 Ų143.779%0.78679%0.785SS**  trans82.5108.7150.8-75.212.6000121.5
894S26.2Very low29.2Very low99 Ų99142 Ų14269%0.69278%0.784SS**  52.3123.4126.568.70000122.5
895L26.9Very low29.9Very low160 Ų160143 Ų14384%0.83879%0.789SS**  -167.7173.6107.4-127.966.6000115
896K27.6Very low29.8Very low173 Ų173141.7 Ų141.775%0.75279%0.788SS**  trans-54.1159.1-171.9-66.2166170.1-1780121.1
897H28.7Very low29.6Very low158 Ų158138.5 Ų138.573%0.73178%0.784SS**  trans80.5120.4141.1-82.9-61000125
898N27.2Very low29Very low142 Ų142138 Ų13876%0.75979%0.787SS**  trans30.5118.8134.6-62.87000123.5
899S28.7Very low28.9Very low118 Ų118136 Ų13683%0.82579%0.785SS**  -179.7134.7114.6310000108.1
900A28.4Very low29.9Very low106 Ų106132.4 Ų132.488%0.87678%0.78SS**  cis84.2111.344.200000113.9
901G27.1Very low30.1Very low80 Ų80136 Ų13683%0.82579%0.788SS**  trans150.387.8166.700000119
902K29.3Very low30.3Very low201 Ų201135.5 Ų135.587%0.87478%0.781SS**  trans-15.7155.7153.9-50.6166.1-178.7175.80119.3
903I29.1Very low30.5Very low171 Ų171133.5 Ų133.588%0.87777%0.774SS**  -169.8157.3110.4-96.8157.9000111.7
904L31Very low30.6Very low157 Ų157134.1 Ų134.182%0.82277%0.772SS**  trans-120.4160.1-171.4-83.4167.9000113.4
905P40.9Very low30.7Very low116 Ų116137.5 Ų137.575%0.75378%0.777SS**  trans-111.7165.9130.6-2.824.5000110.7
906V27.5Very low32Very low139 Ų139135 Ų13584%0.84277%0.771SS**  cis-154.3-151.5-7.967.60000109.1
907V28.9Very low32.1Very low123 Ų123131.7 Ų131.775%0.74578%0.775SS**  trans-136.5146-173.7-179.70000106.9
908A29.6Very low32.3Very low90 Ų90128.7 Ų128.774%0.74478%0.778SS**  -158.9177.761.100000110.6
909S28.9Very low33.4Very low101 Ų101128 Ų12871%0.70678%0.781SS**  cis120.6156.512.8-61.20000110.3
910P51Low33.5Very low104 Ų104132.9 Ų132.968%0.67578%0.783SS**  cis-137168.58.341.4-23.5000118.3
911M29.9Very low35Very low171 Ų171133.5 Ų133.584%0.84278%0.778SS**  trans68.7150.8141.3-76.217074.100123.1
912V33.1Very low35.2Very low99 Ų99134.3 Ų134.360%0.678%0.776SS**  cis-169.7145.4-26.493.60000113.7
913Q31.9Very low35.2Very low148 Ų148130.2 Ų130.269%0.69277%0.773SS**  trans49.4163.5153.8-72.3160.9-5900122
914H30.5Very low36.4Very low160 Ų160127.5 Ų127.574%0.74177%0.767SS**  cis-147.9-161.7-4.1-127.2-43.6000113.7
915Q27.9Very low36.4Very low171 Ų171126.4 Ų126.480%0.79977%0.766SS**  trans-113.9-167.7-168-129.5-175.22.400111
916P54.5Low35.9Very low108 Ų108127.2 Ų127.270%0.70177%0.77SS**  cis-141.9-163.6-13.139-16.7000116.5
917A29.6Very low36Very low103 Ų103124.2 Ų124.285%0.85177%0.766SS**  trans96.1159.5147.400000122.2
918A34.1Very low36.1Very low94 Ų94126.9 Ų126.978%0.77778%0.777SS**  trans-150.3160.1-178.400000110.8
919P49.9Very low36Very low128 Ų128125.9 Ų125.983%0.83178%0.775SS**  -153-171.8113.439.7-20.5000116.9
920Y31.2Very low36Very low221 Ų221129.1 Ų129.187%0.86778%0.779SS**  trans-70.7-175.3176.7-65-83.1000115.7
921P58.7Low35Very low119 Ų119131.6 Ų131.677%0.77378%0.781SS**  cis-137.5-161.9-43.837.9-18.6000114.1
922A31Very low35.1Very low96 Ų96131.6 Ų131.679%0.79378%0.779SS**  trans107.9164.4152.200000120
923S30.9Very low35Very low115 Ų115133.4 Ų133.480%0.80478%0.784SS**  trans-132.8-164.7-164.1-30.90000110.3
924P53.6Low34.9Very low115 Ų115131 Ų13175%0.74778%0.784SS**  cis-134.8-154.9-23.326.3-0.4000112.7
925V31.1Very low35Very low133 Ų133131.3 Ų131.381%0.80679%0.79SS**  trans98.3157.2154.7-170.50000118.7
926T31Very low35.2Very low134 Ų134132.5 Ų132.582%0.82280%0.796SS**  trans-102.3161.5-158.3510000115.7
927G28.2Very low34.3Very low75 Ų75138.8 Ų138.877%0.77381%0.806SS**  trans-150.2136.9160.300000112.6
928N30.6Very low34.3Very low180 Ų180139.7 Ų139.796%0.96381%0.806SS**  trans-93.3162.2176.4-75.5-23.4000111.5
929G29.4Very low34.5Very low69 Ų69140.3 Ų140.371%0.71180%0.804SS**  trans161.7110.9156.900000117.2
930Q28.2Very low33.9Very low169 Ų169144.3 Ų144.379%0.7981%0.809SS**  trans42.9114.8141.1-65.8-172-90.400120.3
931E30.4Very low34Very low155 Ų155139.3 Ų139.372%0.72481%0.806SS**  75.3113.482.4-72.2179.3138.100115.3
932H30.9Very low33.4Very low171 Ų171139.1 Ų139.179%0.79281%0.808SS**  -167.7149.2111.2-127.4-120.4000115.6
933L31.6Very low34.1Very low137 Ų137138.1 Ų138.172%0.71780%0.795SS**  trans-30.2158.5173.3-80.6151000123.6
934S29.8Very low34.8Very low98 Ų98139.6 Ų139.669%0.68579%0.789SS**  trans82.3105.113659.80000123.1
935L33.5Very low34.4Very low166 Ų166141.5 Ų141.587%0.86979%0.787SS**  34.6116.5119.7-68162.3000120.1
936Q31.9Very low35.1Very low196 Ų196138.7 Ų138.792%0.91677%0.773SS**  -164.5179.8103-107.2-160.829.700114.2
937R35.4Very low36Very low240 Ų240135 Ų13591%0.90675%0.753SS**  trans-90152.7-167.2-58.1167.9171.8170.7-4.3113.3
938S29.8Very low37.2Very low123 Ų123140.6 Ų140.686%0.8675%0.751SS**  trans-154.3166.6130.668.20000111.2
939S37.2Very low38.4Very low106 Ų106140.5 Ų140.574%0.74174%0.737SS**  trans-121.2143.8-166.8-54.60000112.6
940K37.1Very low39.8Very low213 Ų213144 Ų14493%0.92673%0.732SS**  trans160.5116.5138.7-87.6151.7-171.6174.20112.9
941S34.1Very low41.2Very low116 Ų116141 Ų14181%0.81172%0.722SS**  -170.9140.2124.665.90000110.8
942S45.3Very low42.9Very low115 Ų115142 Ų14280%0.80472%0.719SS**  trans-149-2.1178.5600000114.5
943S46.2Very low44.4Very low75 Ų75138 Ų13852%0.52470%0.701SS.*Hα-helixtrans-75.2-29.6-17248.60000114.9S946S943-S946 PolarHBondContact O-OG 2.68Å
944H45.4Very low45.9Very low146 Ų146139.5 Ų139.568%0.67670%0.697SS**Hα-helixtrans-84.3-8.5-169.1-79.8-81.2000116.3S947H944-S947 PolarHBondContact O-OG 3.46Å
945H46.3Very low47.8Very low155 Ų155137.9 Ų137.972%0.71869%0.685SS**Hα-helixtrans-91.5-30.4178.1-9412.8000114R949H945-R949 PolarHBondContact O-N 3.29Å
946S45.3Very low49.6Very low73 Ų73136.6 Ų136.651%0.5167%0.669SS.*Hα-helixtrans-68-38.4179.863.30000112.5S943 R949 K950S943-S946 PolarHBondContact O-OG 2.68Å; S946-R949 PolarHBondContact O-N 3.46Å; S946-K950 PolarHBondContact O-N 2.91Å
947S49Very low51.5Low56 Ų56130.3 Ų130.339%0.39264%0.642SS.*Hα-helixtrans-67.5-46.1178.356.50000112.7H944 R949 K950 N951H944-S947 PolarHBondContact O-OG 3.46Å; S947-R949 VanDerWaalsContact C-N 3.31Å; S947-R949 PolarHBondContact O-N 3.08Å; S947-K950 PolarHBondContact O-N 3.37Å; S947-N951 PolarHBondContact O-N 3.27Å
948R53.7Low53.3Low193 Ų193126.9 Ų126.973%0.72863%0.629SS**Hα-helixtrans-61.3-37.6174.8-77.2-173.7171.5-177.6-0.9112.2R952R948-R952 PolarHBondContact O-N 3.05Å
949R56.3Low55.5Low179 Ų179124 Ų12468%0.67560%0.604SS**Hα-helixtrans-66.2-51.3175.3-168.4169.9179165.5-0111.7H945 S946 S947 N951 R952 E953H945-R949 PolarHBondContact O-N 3.29Å; S946-R949 PolarHBondContact O-N 3.46Å; S947-R949 VanDerWaalsContact C-N 3.31Å; S947-R949 PolarHBondContact O-N 3.08Å; R949-N951 VanDerWaalsContact C-N 3.32Å; R949-N951 PolarHBondContact O-N 3.31Å; R949-R952 PolarHBondContact O-N 3.32Å; R949-E953 PolarHBondContact O-N 2.95Å
950K57.7Low57.5Low141 Ų141126.2 Ų126.261%0.61360%0.596SS**Hα-helixtrans-59-36.6178.2-76.4-175.5174.8-176.70113.6S946 S947 R954S946-K950 PolarHBondContact O-N 2.91Å; S947-K950 PolarHBondContact O-N 3.37Å; K950-R954 WeakPolarHBondContact O-CB 3.39Å; K950-R954 WeakPolarHBondContact O-CG 3.33Å; K950-R954 PolarHBondContact O-N 3.38Å
951N59Low59.2Low107 Ų107120.9 Ų120.957%0.57258%0.577SS**Hα-helixtrans-70.8-33.6175-81.3-2.8000112.9S947 R949 S955S947-N951 PolarHBondContact O-N 3.27Å; R949-N951 VanDerWaalsContact C-N 3.32Å; R949-N951 PolarHBondContact O-N 3.31Å; N951-S955 PolarHBondContact O-N 3.09Å; N951-S955 VanDerWaalsContact O-N 3.09Å
952R65.3Low61.2Low175 Ų175122.6 Ų122.666%0.6657%0.566SS**Hα-helixtrans-71.2-33.8174.7-164.6176-171.6-179.13.1112.3R948 R949 R956R948-R952 PolarHBondContact O-N 3.05Å; R949-R952 PolarHBondContact O-N 3.32Å; R952-R956 WeakPolarHBondContact O-CG 3.47Å; R952-R956 PolarHBondContact O-N 2.87Å
953E62Low62.6Low87 Ų87122.7 Ų122.741%0.40755%0.554SS.*Hα-helixtrans-61.2-58.2168.8-121.3115.7-12500110.3R949 S955 R956 D957R949-E953 PolarHBondContact O-N 2.95Å; E953-S955 PolarHBondContact O-N 3.49Å; E953-R956 WeakPolarHBondContact O-CB 3.46Å; E953-R956 PolarHBondContact O-N 3.16Å; E953-D957 PolarHBondContact O-N 2.9Å; E953-D957 VanDerWaalsContact O-N 3.1Å
954R64.3Low63.8Low170 Ų170123.8 Ų123.864%0.64255%0.551SS**Hα-helixtrans-57.4-25.5180-76175.6167.1-173.9-6.2114.8K950 R958K950-R954 WeakPolarHBondContact O-CB 3.39Å; K950-R954 WeakPolarHBondContact O-CG 3.33Å; K950-R954 PolarHBondContact O-N 3.38Å; R954-R958 WeakPolarHBondContact O-CD 3.37Å; R954-R958 VanDerWaalsContact O-CG 3.3Å; R954-R958 WeakPolarHBondContact O-CG 3.36Å; R954-R958 PolarHBondContact O-N 2.95Å
955S69.4Low65.2Low63 Ų63119.6 Ų119.644%0.44154%0.538SS..Hα-helixtrans-71.3-47.1171.7-162.60000111.4N951 E953 D957 R958 D959N951-S955 PolarHBondContact O-N 3.09Å; N951-S955 VanDerWaalsContact O-N 3.09Å; E953-S955 PolarHBondContact O-N 3.49Å; S955-D957 VanDerWaalsContact C-N 3.31Å; S955-D957 PolarHBondContact O-N 3.35Å; S955-R958 PolarHBondContact O-N 3.36Å; S955-D959 PolarHBondContact O-N 3.04Å; S955-D959 VanDerWaalsContact O-OD2 3.09Å
956R71.3Confident66.9Low139 Ų139120.1 Ų120.153%0.52553%0.534SS..Hα-helixtrans-62.4-38-179.6-72.3167.7163.8172.1-9.5112.3R952 E953 D959 R960R952-R956 WeakPolarHBondContact O-CG 3.47Å; R952-R956 PolarHBondContact O-N 2.87Å; E953-R956 WeakPolarHBondContact O-CB 3.46Å; E953-R956 PolarHBondContact O-N 3.16Å; R956-D959 PolarHBondContact O-N 3.39Å; R956-R960 WeakPolarHBondContact O-CG 3.32Å; R956-R960 PolarHBondContact O-N 3.33Å
957D70.9Confident68.4Low64 Ų64120 Ų12034%0.34253%0.527SS..Hα-helixtrans-70-38.9178.5-60-38.8000111.5E953 S955 D959 R960 D961E953-D957 PolarHBondContact O-N 2.9Å; E953-D957 VanDerWaalsContact O-N 3.1Å; S955-D957 VanDerWaalsContact C-N 3.31Å; S955-D957 PolarHBondContact O-N 3.35Å; D957-D959 VanDerWaalsContact C-N 3.28Å; D957-D959 PolarHBondContact O-N 3.4Å; D957-R960 WeakPolarHBondContact O-CB 3.16Å; D957-R960 PolarHBondContact O-N 3.18Å; D957-R960 IonicContact OD1-CZ 2.8Å; D957-R960 IonicContact OD1-NH1 3.7Å; D957-R960 PolarHBondContact OD1-NH1 3.14Å; D957-D961 VanDerWaalsContact O-CG 3.29Å; D957-D961 PolarHBondContact O-N 3.44Å
958R74.3Confident69.9Low169 Ų169124.3 Ų124.364%0.63854%0.535SS*.Hα-helixtrans-61.6-34.2170.7-74.8172174.9-177.5-2.7113.4R954 S955 R962R954-R958 WeakPolarHBondContact O-CD 3.37Å; R954-R958 VanDerWaalsContact O-CG 3.3Å; R954-R958 WeakPolarHBondContact O-CG 3.36Å; R954-R958 PolarHBondContact O-N 2.95Å; S955-R958 PolarHBondContact O-N 3.36Å; R958-R962 WeakPolarHBondContact O-CD 3.43Å; R958-R962 VanDerWaalsContact O-CG 3.26Å; R958-R962 WeakPolarHBondContact O-CG 3.42Å; R958-R962 PolarHBondContact O-N 2.92Å; R958-R962 VanDerWaalsContact O-N 3.15Å
959D75.6Confident71Confident63 Ų63118.2 Ų118.234%0.33752%0.516SS..Hα-helixtrans-76.1-35.2178.3-66.1-39.2000111.5S955 R956 D957 R962 E963S955-D959 PolarHBondContact O-N 3.04Å; S955-D959 VanDerWaalsContact O-OD2 3.09Å; R956-D959 PolarHBondContact O-N 3.39Å; D957-D959 VanDerWaalsContact C-N 3.28Å; D957-D959 PolarHBondContact O-N 3.4Å; D959-R962 WeakPolarHBondContact O-CB 3.37Å; D959-R962 PolarHBondContact O-N 3.35Å; D959-R962 IonicContact OD1-CZ 3.67Å; D959-R962 IonicContact OD1-NH1 2.73Å; D959-R962 PolarHBondContact OD1-NH1 3.23Å; D959-E963 PolarHBondContact O-N 3.05Å
960R79Confident72.3Confident152 Ų152116.7 Ų116.757%0.57451%0.511SS*.Hα-helixtrans-61-43.9166.1-73.2167.3167.2161.7-11.1112.8R956 D957 R962 E963 Q964R956-R960 WeakPolarHBondContact O-CG 3.32Å; R956-R960 PolarHBondContact O-N 3.33Å; D957-R960 WeakPolarHBondContact O-CB 3.16Å; D957-R960 PolarHBondContact O-N 3.18Å; D957-R960 IonicContact OD1-CZ 2.8Å; D957-R960 IonicContact OD1-NH1 3.7Å; D957-R960 PolarHBondContact OD1-NH1 3.14Å; R960-R962 PolarHBondContact O-N 2.66Å; R960-E963 PolarHBondContact O-N 3.34Å; R960-Q964 PolarHBondContact O-N 3.5Å
961D72.2Confident73.2Confident100 Ų100113.9 Ų113.954%0.53550%0.503SS..Hα-helixtrans-61.2-36.5177.8-70.8-28.4000111.3D957 S965D957-D961 VanDerWaalsContact O-CG 3.29Å; D957-D961 PolarHBondContact O-N 3.44Å; D961-S965 WeakPolarHBondContact O-CB 3.19Å; D961-S965 PolarHBondContact O-N 3.2Å
962R77.1Confident74.3Confident153 Ų153115.2 Ų115.258%0.57750%0.5SS*.Hα-helixtrans-67.8-39.9173.9-73.1161.2167.8170.9-7.2112.6R958 D959 R960 S965 R966R958-R962 WeakPolarHBondContact O-CD 3.43Å; R958-R962 VanDerWaalsContact O-CG 3.26Å; R958-R962 WeakPolarHBondContact O-CG 3.42Å; R958-R962 PolarHBondContact O-N 2.92Å; R958-R962 VanDerWaalsContact O-N 3.15Å; D959-R962 WeakPolarHBondContact O-CB 3.37Å; D959-R962 PolarHBondContact O-N 3.35Å; D959-R962 IonicContact OD1-CZ 3.67Å; D959-R962 IonicContact OD1-NH1 2.73Å; D959-R962 PolarHBondContact OD1-NH1 3.23Å; R960-R962 PolarHBondContact O-N 2.66Å; R962-S965 PolarHBondContact O-N 3.28Å; R962-R966 WeakPolarHBondContact O-CG 3.19Å; R962-R966 PolarHBondContact O-N 2.8Å; R962-R966 VanDerWaalsContact O-N 3.09Å
963E74.3Confident74.9Confident116 Ų116111 Ų11154%0.54249%0.49SS..Hα-helixtrans-66.1-48.4174.8-72179.9149.200110.9D959 R960 S965 R966 D967D959-E963 PolarHBondContact O-N 3.05Å; R960-E963 PolarHBondContact O-N 3.34Å; E963-S965 VanDerWaalsContact C-N 3.27Å; E963-S965 PolarHBondContact O-N 3.41Å; E963-R966 WeakPolarHBondContact O-CB 3.35Å; E963-R966 PolarHBondContact O-N 2.93Å; E963-D967 PolarHBondContact O-N 3.44Å
964Q70.9Confident76Confident98 Ų98114.1 Ų114.146%0.45850%0.498SS..Hα-helixtrans-58.2-36.4173.5-71.5-167.425.100113.1R960 R968R960-Q964 PolarHBondContact O-N 3.5Å; Q964-R968 WeakPolarHBondContact O-CB 3.39Å; Q964-R968 WeakPolarHBondContact O-CG 3.09Å; Q964-R968 PolarHBondContact O-N 3.41Å
965S75.7Confident76.5Confident59 Ų59112.8 Ų112.841%0.41350%0.499SS..Hα-helixtrans-64.5-42.6174.2-166.50000111.7D961 R962 E963 R968 D969D961-S965 WeakPolarHBondContact O-CB 3.19Å; D961-S965 PolarHBondContact O-N 3.2Å; R962-S965 PolarHBondContact O-N 3.28Å; E963-S965 VanDerWaalsContact C-N 3.27Å; E963-S965 PolarHBondContact O-N 3.41Å; S965-R968 PolarHBondContact O-N 3.25Å; S965-D969 PolarHBondContact O-N 3.27Å
966R82.2Confident77.2Confident166 Ų166116.7 Ų116.763%0.62650%0.504SS*.Hα-helixtrans-64.3-38.5177.7-73.1166.5171176.2-3.6112.3R962 E963 D969 R970R962-R966 WeakPolarHBondContact O-CG 3.19Å; R962-R966 PolarHBondContact O-N 2.8Å; R962-R966 VanDerWaalsContact O-N 3.09Å; E963-R966 WeakPolarHBondContact O-CB 3.35Å; E963-R966 PolarHBondContact O-N 2.93Å; R966-D969 PolarHBondContact O-N 3.09Å; R966-R970 WeakPolarHBondContact O-CG 3.4Å; R966-R970 PolarHBondContact O-N 3.34Å
967D77.2Confident77.7Confident69 Ų69115.7 Ų115.737%0.36951%0.505SS..Hα-helixtrans-70.9-40.2177.2-69.3-37.2000112.1E963 D969 R970 D971E963-D967 PolarHBondContact O-N 3.44Å; D967-D969 VanDerWaalsContact C-N 3.26Å; D967-D969 PolarHBondContact O-N 3.02Å; D967-R970 WeakPolarHBondContact O-CB 3.33Å; D967-R970 PolarHBondContact O-N 3.27Å; D967-R970 WeakPolarHBondContact OD1-CD 3.4Å; D967-R970 IonicContact OD1-CZ 3.75Å; D967-R970 IonicContact OD1-NE 3.82Å; D967-R970 IonicContact OD1-NH1 2.7Å; D967-R970 PolarHBondContact OD1-NH1 2.94Å; D967-D971 PolarHBondContact O-N 3.09Å
968R79Confident78Confident148 Ų148116.8 Ų116.856%0.55851%0.511SS*.Hα-helixtrans-60.6-34.4170.8-68170.3-155.3-179.58.7112.7Q964 S965 R972Q964-R968 WeakPolarHBondContact O-CB 3.39Å; Q964-R968 WeakPolarHBondContact O-CG 3.09Å; Q964-R968 PolarHBondContact O-N 3.41Å; S965-R968 PolarHBondContact O-N 3.25Å; R968-R972 WeakPolarHBondContact O-CD 3.43Å; R968-R972 VanDerWaalsContact O-CG 3.27Å; R968-R972 WeakPolarHBondContact O-CG 3.31Å; R968-R972 PolarHBondContact O-N 3.03Å; R968-R972 VanDerWaalsContact O-N 3.08Å
969D77.3Confident78.2Confident64 Ų64114.8 Ų114.834%0.34251%0.507SS..Hα-helixtrans-74.4-37.7175.1-73.7-38.6000112.6S965 R966 D967 D971 R972 D973S965-D969 PolarHBondContact O-N 3.27Å; R966-D969 PolarHBondContact O-N 3.09Å; D967-D969 VanDerWaalsContact C-N 3.26Å; D967-D969 PolarHBondContact O-N 3.02Å; D969-D971 VanDerWaalsContact C-N 3.33Å; D969-D971 PolarHBondContact O-N 3.41Å; D969-R972 PolarHBondContact O-N 3.41Å; D969-R972 WeakPolarHBondContact OD1-CD 3.29Å; D969-R972 IonicContact OD1-CZ 3.73Å; D969-R972 IonicContact OD1-NE 2.64Å; D969-R972 IonicContact OD1-NH1 2.65Å; D969-R972 PolarHBondContact OD1-NH1 3.2Å; D969-D973 PolarHBondContact O-N 3.32Å
970R83.9Confident78.7Confident148 Ų148119 Ų11956%0.55852%0.518SS*.Hα-helixtrans-58.3-43.3169.3-73.7162.1167.5170.6-6111.8R966 D967 D973 R974R966-R970 WeakPolarHBondContact O-CG 3.4Å; R966-R970 PolarHBondContact O-N 3.34Å; D967-R970 WeakPolarHBondContact O-CB 3.33Å; D967-R970 PolarHBondContact O-N 3.27Å; D967-R970 WeakPolarHBondContact OD1-CD 3.4Å; D967-R970 IonicContact OD1-CZ 3.75Å; D967-R970 IonicContact OD1-NE 3.82Å; D967-R970 IonicContact OD1-NH1 2.7Å; D967-R970 PolarHBondContact OD1-NH1 2.94Å; R970-D973 PolarHBondContact O-N 3Å; R970-R974 WeakPolarHBondContact O-CG 3.44Å; R970-R974 PolarHBondContact O-N 2.68Å
971D76.8Confident78.6Confident82 Ų82117.5 Ų117.544%0.43952%0.518SS..Hα-helixtrans-69.8-36.1179.5-71.6-26.3000112.6D967 D969 D973 R974 E975D967-D971 PolarHBondContact O-N 3.09Å; D969-D971 VanDerWaalsContact C-N 3.33Å; D969-D971 PolarHBondContact O-N 3.41Å; D971-D973 VanDerWaalsContact C-N 3.32Å; D971-D973 PolarHBondContact O-N 3.37Å; D971-R974 PolarHBondContact O-N 2.67Å; D971-R974 IonicContact OD1-CZ 2.67Å; D971-R974 IonicContact OD1-NH1 3.91Å; D971-R974 PolarHBondContact OD1-NH1 3Å; D971-E975 WeakPolarHBondContact O-CB 3.27Å; D971-E975 PolarHBondContact O-N 2.92Å
972R81Confident78.9Confident135 Ų135120.6 Ų120.651%0.50952%0.522SS..Hα-helixtrans-60.2-39.9168.6-74.4163.9174.8169.2-2.8112.3R968 D969 E975 R976R968-R972 WeakPolarHBondContact O-CD 3.43Å; R968-R972 VanDerWaalsContact O-CG 3.27Å; R968-R972 WeakPolarHBondContact O-CG 3.31Å; R968-R972 PolarHBondContact O-N 3.03Å; R968-R972 VanDerWaalsContact O-N 3.08Å; D969-R972 PolarHBondContact O-N 3.41Å; D969-R972 WeakPolarHBondContact OD1-CD 3.29Å; D969-R972 IonicContact OD1-CZ 3.73Å; D969-R972 IonicContact OD1-NE 2.64Å; D969-R972 IonicContact OD1-NH1 2.65Å; D969-R972 PolarHBondContact OD1-NH1 3.2Å; R972-E975 PolarHBondContact O-N 2.97Å; R972-R976 WeakPolarHBondContact O-CB 3.47Å; R972-R976 WeakPolarHBondContact O-CD 3.28Å; R972-R976 WeakPolarHBondContact O-CG 3.47Å; R972-R976 PolarHBondContact O-N 2.95Å
973D79.4Confident78.9Confident85 Ų85118 Ų11846%0.45552%0.516SS..Hα-helixtrans-72.7-37178.8-78.4-27.2000112.5D969 R970 D971 E975 R976 E977D969-D973 PolarHBondContact O-N 3.32Å; R970-D973 PolarHBondContact O-N 3Å; D971-D973 VanDerWaalsContact C-N 3.32Å; D971-D973 PolarHBondContact O-N 3.37Å; D973-E975 VanDerWaalsContact C-N 3.34Å; D973-E975 PolarHBondContact O-N 3.27Å; D973-R976 PolarHBondContact O-N 3.46Å; D973-R976 WeakPolarHBondContact OD1-CD 3.2Å; D973-R976 IonicContact OD1-CZ 2.99Å; D973-R976 IonicContact OD1-NE 3.22Å; D973-R976 IonicContact OD1-NH1 2.69Å; D973-R976 PolarHBondContact OD1-NH1 3.22Å; D973-E977 WeakPolarHBondContact O-CB 3.44Å; D973-E977 PolarHBondContact O-N 3.17Å
974R84.2Confident79.2Confident153 Ų153119.3 Ų119.358%0.57752%0.516SS*.Hα-helixtrans-58.5-43.5166.5-70.4165.9172.2156.1-5.3112R970 D971 E977 N978R970-R974 WeakPolarHBondContact O-CG 3.44Å; R970-R974 PolarHBondContact O-N 2.68Å; D971-R974 PolarHBondContact O-N 2.67Å; D971-R974 IonicContact OD1-CZ 2.67Å; D971-R974 IonicContact OD1-NH1 3.91Å; D971-R974 PolarHBondContact OD1-NH1 3Å; R974-E977 PolarHBondContact O-N 2.96Å; R974-N978 WeakPolarHBondContact O-CB 3.49Å; R974-N978 PolarHBondContact O-N 3.22Å; R974-N978 PolarHBondContact O-ND2 3.47Å
975E75.8Confident79.3Confident143 Ų143120.3 Ų120.367%0.66852%0.521SS*.Hα-helixtrans-66.9-38.9178.1-170.8176.4-14600112.2D971 R972 D973 E977 K979D971-E975 WeakPolarHBondContact O-CB 3.27Å; D971-E975 PolarHBondContact O-N 2.92Å; R972-E975 PolarHBondContact O-N 2.97Å; D973-E975 VanDerWaalsContact C-N 3.34Å; D973-E975 PolarHBondContact O-N 3.27Å; E975-E977 VanDerWaalsContact C-N 3.34Å; E975-K979 WeakPolarHBondContact O-CB 3.49Å; E975-K979 PolarHBondContact O-N 3.36Å
976R82.5Confident79.2Confident144 Ų144124.9 Ų124.954%0.54353%0.529SS..Hα-helixtrans-62.5-38.9171.7-73.3159.1173.5173.10.3112.1R972 D973 K979 R980R972-R976 WeakPolarHBondContact O-CB 3.47Å; R972-R976 WeakPolarHBondContact O-CD 3.28Å; R972-R976 WeakPolarHBondContact O-CG 3.47Å; R972-R976 PolarHBondContact O-N 2.95Å; D973-R976 PolarHBondContact O-N 3.46Å; D973-R976 WeakPolarHBondContact OD1-CD 3.2Å; D973-R976 IonicContact OD1-CZ 2.99Å; D973-R976 IonicContact OD1-NE 3.22Å; D973-R976 IonicContact OD1-NH1 2.69Å; D973-R976 PolarHBondContact OD1-NH1 3.22Å; R976-K979 PolarHBondContact O-N 2.82Å; R976-R980 VanDerWaalsContact O-CG 3.31Å; R976-R980 WeakPolarHBondContact O-CG 3.31Å; R976-R980 PolarHBondContact O-N 2.92Å
977E81.8Confident78.8Confident118 Ų118118.3 Ų118.355%0.55151%0.514SS*.Hα-helixtrans-68-49.9176.8-174.7142.1-116.200111.8D973 R974 E975 K979 R980 E981D973-E977 WeakPolarHBondContact O-CB 3.44Å; D973-E977 PolarHBondContact O-N 3.17Å; R974-E977 PolarHBondContact O-N 2.96Å; E975-E977 VanDerWaalsContact C-N 3.34Å; E977-K979 PolarHBondContact O-N 3.45Å; E977-R980 WeakPolarHBondContact O-CB 3.27Å; E977-R980 PolarHBondContact O-N 3.44Å; E977-E981 PolarHBondContact O-N 2.94Å
978N76.9Confident78.6Confident87 Ų87122.8 Ų122.847%0.46553%0.525SS..Hα-helixtrans-55.4-37.3172.1-76.1-31.1000112.4R974 R982R974-N978 WeakPolarHBondContact O-CB 3.49Å; R974-N978 PolarHBondContact O-N 3.22Å; R974-N978 PolarHBondContact O-ND2 3.47Å; N978-R982 WeakPolarHBondContact O-CG 3.42Å; N978-R982 PolarHBondContact O-N 3.45Å
979K80Confident77.6Confident128 Ų128121 Ų12156%0.55752%0.523SS*.Hα-helixtrans-67.1-44.5174.8-175.7175.5174-179.40112.1E975 R976 E977 E981 R982 E983E975-K979 WeakPolarHBondContact O-CB 3.49Å; E975-K979 PolarHBondContact O-N 3.36Å; R976-K979 PolarHBondContact O-N 2.82Å; E977-K979 PolarHBondContact O-N 3.45Å; K979-E981 VanDerWaalsContact C-N 3.3Å; K979-E981 PolarHBondContact O-N 3.42Å; K979-R982 PolarHBondContact O-N 2.87Å; K979-E983 WeakPolarHBondContact CE-OE1 3.35Å; K979-E983 WeakPolarHBondContact O-CG 3.5Å; K979-E983 PolarHBondContact O-N 3.17Å
980R85.2Confident77Confident151 Ų151127 Ų12757%0.5754%0.541SS*.Hα-helixtrans-61.9-37.1174.9-74.1166.2171.6176.4-2112.1R976 E977 E983 R984R976-R980 VanDerWaalsContact O-CG 3.31Å; R976-R980 WeakPolarHBondContact O-CG 3.31Å; R976-R980 PolarHBondContact O-N 2.92Å; E977-R980 WeakPolarHBondContact O-CB 3.27Å; E977-R980 PolarHBondContact O-N 3.44Å; R980-E983 PolarHBondContact O-N 3.02Å; R980-R984 WeakPolarHBondContact O-CG 3.34Å; R980-R984 PolarHBondContact O-N 2.8Å
981E77.7Confident75.7Confident120 Ų120126 Ų12656%0.56154%0.543SS*.Hα-helixtrans-66.2-47.2175.6-174.4160.1-128.700111.9E977 K979 E983 R984 E985E977-E981 PolarHBondContact O-N 2.94Å; K979-E981 VanDerWaalsContact C-N 3.3Å; K979-E981 PolarHBondContact O-N 3.42Å; E981-E983 PolarHBondContact O-N 3.09Å; E981-R984 WeakPolarHBondContact O-CB 3.45Å; E981-R984 PolarHBondContact O-N 3.25Å; E981-R984 VanDerWaalsContact O-N 3.08Å; E981-E985 PolarHBondContact O-N 3.27Å
982R78.9Confident74.6Confident165 Ų165129.5 Ų129.562%0.62355%0.55SS*.Hα-helixtrans-59.4-32.4172.6-70.9171.5179.1178.51.1113.1N978 K979 R986N978-R982 WeakPolarHBondContact O-CG 3.42Å; N978-R982 PolarHBondContact O-N 3.45Å; K979-R982 PolarHBondContact O-N 2.87Å; R982-R986 WeakPolarHBondContact O-CB 3.43Å; R982-R986 WeakPolarHBondContact O-CD 3.37Å; R982-R986 VanDerWaalsContact O-CG 3.24Å; R982-R986 WeakPolarHBondContact O-CG 3.44Å; R982-R986 PolarHBondContact O-N 3.01Å
983E75.3Confident73.2Confident98 Ų98128.3 Ų128.346%0.45856%0.557SS.*Hα-helixtrans-72.3-37.5174.1-75.9168.7-175.900112.3K979 R980 E981 G987K979-E983 WeakPolarHBondContact CE-OE1 3.35Å; K979-E983 WeakPolarHBondContact O-CG 3.5Å; K979-E983 PolarHBondContact O-N 3.17Å; R980-E983 PolarHBondContact O-N 3.02Å; E981-E983 PolarHBondContact O-N 3.09Å; E983-G987 PolarHBondContact O-N 2.89Å
984R82.6Confident71.6Confident144 Ų144129.4 Ų129.454%0.54357%0.567SS.*Hα-helixtrans-66.3-39.1170.7-68.5168.9-173133.7-6.8112.5R980 E981 G987 R988R980-R984 WeakPolarHBondContact O-CG 3.34Å; R980-R984 PolarHBondContact O-N 2.8Å; E981-R984 WeakPolarHBondContact O-CB 3.45Å; E981-R984 PolarHBondContact O-N 3.25Å; E981-R984 VanDerWaalsContact O-N 3.08Å; R984-G987 WeakPolarHBondContact O-CA 3.26Å; R984-G987 PolarHBondContact O-N 3.35Å; R984-G987 VanDerWaalsContact O-N 3.15Å; R984-R988 PolarHBondContact O-N 3.1Å
985E71.8Confident69.6Low120 Ų120128.8 Ų128.856%0.56158%0.575SS**Hα-helixtrans-64-45.5176.8-171.9171.4-140.300111.2E981 G987 R988 E989E981-E985 PolarHBondContact O-N 3.27Å; E985-G987 VanDerWaalsContact C-N 3.26Å; E985-G987 PolarHBondContact O-N 2.96Å; E985-R988 PolarHBondContact O-N 3.36Å; E985-E989 WeakPolarHBondContact O-CB 3.43Å; E985-E989 PolarHBondContact O-N 3.32Å
986R73Confident67.7Low154 Ų154132.1 Ų132.158%0.58158%0.582SS**Hα-helixtrans-61.3-30.8169.7-73.3167.8175.2176.7-2.9113.3R982 E989 R990R982-R986 WeakPolarHBondContact O-CB 3.43Å; R982-R986 WeakPolarHBondContact O-CD 3.37Å; R982-R986 VanDerWaalsContact O-CG 3.24Å; R982-R986 WeakPolarHBondContact O-CG 3.44Å; R982-R986 PolarHBondContact O-N 3.01Å; R986-E989 PolarHBondContact O-N 3.15Å; R986-R990 VanDerWaalsContact O-CG 3.31Å; R986-R990 WeakPolarHBondContact O-CG 3.44Å; R986-R990 PolarHBondContact O-N 3.06Å
987G73.6Confident65.8Low29 Ų29129.6 Ų129.630%0.29958%0.584SS.*Hα-helixtrans-61.6-55.9170.500000111.4E983 R984 E985 E989 R990 E991E983-G987 PolarHBondContact O-N 2.89Å; R984-G987 WeakPolarHBondContact O-CA 3.26Å; R984-G987 PolarHBondContact O-N 3.35Å; R984-G987 VanDerWaalsContact O-N 3.15Å; E985-G987 VanDerWaalsContact C-N 3.26Å; E985-G987 PolarHBondContact O-N 2.96Å; G987-E989 PolarHBondContact O-N 3.39Å; G987-E989 VanDerWaalsContact O-N 3.16Å; G987-R990 PolarHBondContact O-N 2.91Å; G987-E991 PolarHBondContact O-N 3.26Å
988R73.6Confident63.9Low162 Ų162129.9 Ų129.961%0.61160%0.597SS**Hα-helixtrans-61.1-22.4175.8-67.2172.1177.2162-1.8113.7R984 E985 R992R984-R988 PolarHBondContact O-N 3.1Å; E985-R988 PolarHBondContact O-N 3.36Å; R988-R992 WeakPolarHBondContact O-CG 3.3Å; R988-R992 PolarHBondContact O-NE 3.4Å; R988-R992 PolarHBondContact O-NH2 3.42Å
989E58.6Low61.9Low110 Ų110133.3 Ų133.351%0.51462%0.615SS.*Hα-helixtrans-80.9-37.8173.4-167.5162.4-118.200112E985 R986 G987 R992 V993E985-E989 WeakPolarHBondContact O-CB 3.43Å; E985-E989 PolarHBondContact O-N 3.32Å; R986-E989 PolarHBondContact O-N 3.15Å; G987-E989 PolarHBondContact O-N 3.39Å; G987-E989 VanDerWaalsContact O-N 3.16Å; E989-R992 PolarHBondContact O-N 3.31Å; E989-V993 WeakPolarHBondContact O-CG2 3.39Å; E989-V993 PolarHBondContact O-N 2.7Å
990R64.1Low59.6Low191 Ų191135.8 Ų135.872%0.72163%0.626SS**Hα-helixtrans-66.6-42.1171.9-73.2168.7-178-93.7-1.7112.4R986 G987 R992 V993 T994R986-R990 VanDerWaalsContact O-CG 3.31Å; R986-R990 WeakPolarHBondContact O-CG 3.44Å; R986-R990 PolarHBondContact O-N 3.06Å; G987-R990 PolarHBondContact O-N 2.91Å; R990-R992 VanDerWaalsContact C-N 3.29Å; R990-R992 PolarHBondContact O-N 3.03Å; R990-V993 WeakPolarHBondContact O-CA 3.48Å; R990-V993 PolarHBondContact O-N 3.01Å; R990-T994 PolarHBondContact O-N 3.09Å; R990-T994 VanDerWaalsContact O-N 3.11Å; R990-T994 PolarHBondContact O-OG1 3.21Å
991E56.9Low57.2Low126 Ų126134.3 Ų134.359%0.58964%0.635SS**Hα-helixtrans-57.1-42.6174.6-71.9175134.500111.6G987 V993 T994G987-E991 PolarHBondContact O-N 3.26Å; E991-V993 PolarHBondContact O-N 2.98Å; E991-T994 WeakPolarHBondContact CA-OG1 3.47Å; E991-T994 PolarHBondContact O-N 3.05Å; E991-T994 PolarHBondContact O-OG1 2.86Å
992R54.5Low55Low157 Ų157134.9 Ų134.959%0.59265%0.647SS**Hα-helixtrans-67.8-11.2175-79.8178.3-71.7145.31.6114.9R988 E989 R990R988-R992 WeakPolarHBondContact O-CG 3.3Å; R988-R992 PolarHBondContact O-NE 3.4Å; R988-R992 PolarHBondContact O-NH2 3.42Å; E989-R992 PolarHBondContact O-N 3.31Å; R990-R992 VanDerWaalsContact C-N 3.29Å; R990-R992 PolarHBondContact O-N 3.03Å
993V50Low52.6Low109 Ų109132.8 Ų132.866%0.66165%0.648SS**Hα-helixtrans-99.1-21175.6172.20000111.5E989 R990 E991E989-V993 WeakPolarHBondContact O-CG2 3.39Å; E989-V993 PolarHBondContact O-N 2.7Å; R990-V993 WeakPolarHBondContact O-CA 3.48Å; R990-V993 PolarHBondContact O-N 3.01Å; E991-V993 PolarHBondContact O-N 2.98Å
994T45.8Very low50.5Low109 Ų109134 Ų13467%0.66967%0.667SS**Hα-helixtrans-83.3-16.9178.141.90000115.2R990 E991 W996R990-T994 PolarHBondContact O-N 3.09Å; R990-T994 VanDerWaalsContact O-N 3.11Å; R990-T994 PolarHBondContact O-OG1 3.21Å; E991-T994 WeakPolarHBondContact CA-OG1 3.47Å; E991-T994 PolarHBondContact O-N 3.05Å; E991-T994 PolarHBondContact O-OG1 2.86Å; T994-W996 VanDerWaalsContact C-N 3.32Å; T994-W996 PolarHBondContact O-N 2.78Å
995D42Very low47.9Very low140 Ų140134.6 Ų134.675%0.74968%0.676SS**THydrogen-bonded Turntrans-86.513.2-177.3-82-9.8000114.9
996W37.3Very low45.8Very low212 Ų212133.9 Ų133.980%0.80368%0.684SS**  trans-101122.2174.2-81.391.9000112T994T994-W996 VanDerWaalsContact C-N 3.32Å; T994-W996 PolarHBondContact O-N 2.78Å
997P41.8Very low43.6Very low92 Ų92135.5 Ų135.560%0.59770%0.698SS**  trans-73.1148.8177.330.4-34.6000112D999P997-D999 PolarHBondContact O-N 3.02Å
998P42.5Very low41.3Very low124 Ų124140.1 Ų140.181%0.80573%0.726SS**  trans-85.995.3-179.633.2-33.5000111.7
999D34.1Very low39.2Very low158 Ų158140.8 Ų140.885%0.84574%0.736SS**PPolyproline II helixtrans-67132.5173.9-85.3-39.6000112.3P997P997-D999 PolarHBondContact O-N 3.02Å
1000K33.3Very low38.3Very low181 Ų181141 Ų14179%0.78775%0.747SS**PPolyproline II helixtrans-91136.8177.9-61.7172.5-176.3171.40109.7
1001P32.8Very low36.9Very low119 Ų119139 Ų13977%0.77375%0.75SS**PPolyproline II helixtrans-65.8138.2165.829.5-33.3000109.9
1002V33.1Very low35.6Very low133 Ų133142.6 Ų142.681%0.80676%0.764SS**  trans-110.8107.1168.2176.80000107.5S1004V1002-S1004 PolarHBondContact O-N 3.46Å
1003D28.2Very low34.2Very low121 Ų121140.8 Ų140.865%0.64778%0.775SS**  trans-68.2128-179.7-84-62.1000112.2
1004S30.1Very low33Very low122 Ų122143.5 Ų143.585%0.85379%0.785SS**  trans-98.885.1159.5-63.50000108.3V1002 S1006V1002-S1004 PolarHBondContact O-N 3.46Å; S1004-S1006 PolarHBondContact O-N 3.38Å
1005H29.7Very low32.5Very low157 Ų157148.9 Ų148.973%0.72779%0.793SS**  trans-64.8125.1-176.8-78.4-21.6000112.8
1006S27.4Very low32Very low106 Ų106152.2 Ų152.274%0.74180%0.795SS**  -172.7137103.935.60000114.6S1004S1004-S1006 PolarHBondContact O-N 3.38Å
1007Q25.8Very low31.8Very low188 Ų188149.5 Ų149.588%0.87980%0.795SS**  trans50.193.1150-59-177.67.800119.8
1008S26.2Very low31.5Very low125 Ų125151 Ų15187%0.87480%0.798SS**  -169.3154.611136.40000113.1
1009Q28.1Very low31.4Very low176 Ų176151.4 Ų151.482%0.82279%0.788SS**  trans-122.5171.4170.3-76.2-121.613.300107.7
1010P40.4Very low31Very low114 Ų114151.5 Ų151.574%0.7479%0.788SS**  -127.6-149.5-55.438.8-22.7000109.8
1011L36Very low30.9Very low150 Ų150147.2 Ų147.279%0.78578%0.781SS**  trans-56.8147.8-175.6-64.6167000116.5
1012K28.4Very low31.2Very low202 Ų202147.5 Ų147.588%0.87878%0.783SS**  trans86.1106.8157-61.1153.9-177.6175.80119.6
1013S25.3Very low30.9Very low118 Ų118146.6 Ų146.683%0.82578%0.782SS**  trans-150165.7133.755.10000107.5
1014L25.7Very low31.5Very low166 Ų166146.1 Ų146.187%0.86979%0.786SS**  cis-169.1166.7-46.1-135.8164.3000103
1015R34.7Very low31.6Very low222 Ų222145.3 Ų145.384%0.83878%0.78SS**SBendtrans-77.3153.2177-73.3174.5170.6161.7-5.8111.4
1016R32Very low31.8Very low210 Ų210144.5 Ų144.579%0.79278%0.781SS**  trans48.797.5151.5-72.5177.6171.6168.9-3.6116.5L1018R1016-L1018 VanDerWaalsContact C-N 3.28Å; R1016-L1018 HydrophobicContact CB-CG 4.4Å; R1016-L1018 PolarHBondContact O-N 3.31Å; R1016-L1018 VanDerWaalsContact O-N 3.16Å
1017L31.4Very low32.3Very low156 Ų156147.9 Ų147.982%0.81779%0.785SS**  trans-76.585.7143.7-160.881.3000108.4H1019L1017-H1019 PolarHBondContact O-N 3.17Å
1018L35.4Very low33.1Very low124 Ų124142.5 Ų142.565%0.64978%0.78SS**  trans-83.7100.2164.4-88.7171000108.1R1016R1016-L1018 VanDerWaalsContact C-N 3.28Å; R1016-L1018 HydrophobicContact CB-CG 4.4Å; R1016-L1018 PolarHBondContact O-N 3.31Å; R1016-L1018 VanDerWaalsContact O-N 3.16Å
1019H41.7Very low33.1Very low131 Ų131145.6 Ų145.661%0.60678%0.781SS**SBendtrans-72.3140.7146.2-76.1-109.3000107.2L1017L1017-H1019 PolarHBondContact O-N 3.17Å
1020L25.6Very low34.1Very low161 Ų161142.5 Ų142.584%0.84378%0.776SS**SBendcis-100.4122.111.3-64165.3000113
1021S30.3Very low34Very low90 Ų90142 Ų14263%0.62977%0.773SS**  trans41.1151.3134.6-53.30000122.4
1022P38.9Very low34.7Very low126 Ų126140.3 Ų140.382%0.81877%0.771SS**  cis-124.117010.839.8-25.2000116.1
1023S28.3Very low35.4Very low114 Ų114136.4 Ų136.480%0.79777%0.766SS**  trans-70.2174.7170.8-43.40000112.6
1024P41.1Very low36.7Very low111 Ų111136.3 Ų136.372%0.72176%0.763SS**  cis-139.2168.94.541.8-24.1000117.8
1025S31.3Very low38.2Very low105 Ų105133.8 Ų133.873%0.73476%0.756SS**  trans67.4148.7146.3710000122.8
1026N34.4Very low39.4Very low139 Ų139128 Ų12874%0.74375%0.747SS**  trans77.7136.8154.2-103.5-19.6000122.5
1027Q37.7Very low39.9Very low178 Ų178124.6 Ų124.683%0.83275%0.745SS**  trans57.1148.1149.1-60.5-179.618.800122.6
1028G42.6Very low40.3Very low75 Ų75123.2 Ų123.277%0.77374%0.738SS**  trans108.6114.1132.600000120.1
1029Q25.9Very low40.4Very low190 Ų190127.4 Ų127.489%0.88875%0.745SS**  -86.8167.6115.1-103-167.6-14.400107.5
1030P49.5Very low40.4Very low111 Ų111130.1 Ų130.172%0.72176%0.755SS**  cis-117.6-123.31.527.9-2.6000107.8
1031P37.3Very low40.8Very low102 Ų102130.9 Ų130.966%0.66275%0.754SS**  cis-131.8177.2-29.438.3-20.3000115
1032P51.8Low41Very low116 Ų116131 Ų13175%0.75376%0.761SS**  trans-77.7162.5156.435.2-36.2000112.1
1033P42Very low41.9Very low119 Ų119131.1 Ų131.177%0.77376%0.762SS**  -146.2171.1114.331.9-12.8000116
1034P54.3Low42Very low117 Ų117133.4 Ų133.476%0.7676%0.764SS**  trans-104.6-149.2177.545.4-37000110.6
1035P57.3Low42.8Very low113 Ų113133.3 Ų133.373%0.73476%0.764SS**  cis-127.3-132.3-1737.1-13.5000109.9
1036P58.4Low42.8Very low100 Ų100135.9 Ų135.965%0.64977%0.769SS**  cis-137.7171-27.838.8-19.5000118.5
1037D42.9Very low44.4Very low138 Ų138134.5 Ų134.574%0.73877%0.768SS**  trans84124.8130.9-80.82.5000130.6
1038L40.3Very low45.4Very low127 Ų127131.1 Ų131.167%0.66576%0.761SS**  88.5115.3126.4-66.8169.3000127.3
1039R37.8Very low45Very low212 Ų212136 Ų13680%0.876%0.764SS**  trans85.1110131.8-66.5-174.2178.9-175.33.2126.4
1040F40.5Very low45.4Very low189 Ų189132 Ų13283%0.82976%0.757SS**  73.3123.2124.1-88.7-85.8000127.5
1041Q35.1Very low45Very low176 Ų176132 Ų13282%0.82276%0.759SS**  110.2109.8126.6-159.5170.182.400124.1
1042A33.7Very low45.2Very low94 Ų94133.4 Ų133.478%0.77777%0.772SS**  trans65.2166.4149.600000121.4
1043P57.6Low45.1Very low128 Ų128137.6 Ų137.683%0.83178%0.778SS**  cis-131.4-131.34.643.4-23.1000117.9
1044L29.8Very low45.3Very low162 Ų162136.9 Ų136.985%0.84878%0.782SS**  trans-124.2-159.6-149.8-70.1163.1000115.3
1045P59.6Low44.6Very low108 Ų108135.1 Ų135.170%0.70179%0.785SS**  -138.9170.5-72.843-26.5000120.2
1046N29.8Very low43.9Very low160 Ų160140.7 Ų140.786%0.85679%0.793SS**  trans91.1140.1142.1-92.20.8000128.1
1047P67.8Low43.2Very low109 Ų109141.6 Ų141.671%0.70880%0.799SS**  trans-120.7-143.6176.538.9-16.3000113
1048P59.6Low42.8Very low108 Ų108144.4 Ų144.470%0.70181%0.808SS**  cis-146.1-159.4-6.841.2-16.5000118.6
1049Q34.5Very low42.3Very low178 Ų178142.1 Ų142.183%0.83282%0.815SS**  trans110.3121.7142-94.7-17816.300127.2
1050S34.7Very low41.9Very low104 Ų104144.4 Ų144.473%0.72782%0.824SS**  107.4112.1126.373.40000127.9
1051S40Very low41.3Very low111 Ų111138.7 Ų138.778%0.77682%0.818SS**  trans51.5134.3133.163.90000129.6
1052S42.3Very low41Very low132 Ų132138.7 Ų138.792%0.92382%0.818SS**  161.4-167.4126.761.60000115.7
1053K49.6Very low40.7Very low204 Ų204140 Ų14089%0.88782%0.816SS**  trans-156.8138.8-149.6-162.1-175.2-175.4-175.90120.1
1054A46.3Very low39.2Very low104 Ų104142.6 Ų142.686%0.8682%0.817SS**  trans79.7134.3153.100000124.6
1055G39.8Very low39.2Very low80 Ų80140 Ų14083%0.82581%0.813SS**  trans163.6147.9165.800000115
1056Y40.9Very low37.8Very low230 Ų230146.4 Ų146.490%0.90282%0.823SS**  trans-123.7151.5174.3-108.2-87.7000108.6
1057P45.2Very low37.8Very low120 Ų120142.9 Ų142.978%0.77982%0.816SS**  -148.2-142.479.242.3-21.7000114.7
1058E34.3Very low36.2Very low196 Ų196146.1 Ų146.192%0.91682%0.822SS**  trans-77.4163-163.7-56.4170.9104.300116.5
1059G30Very low34.9Very low80 Ų80146.6 Ų146.683%0.82583%0.827SS**  trans137.3136.5160.400000115.5
1060R29.3Very low34.7Very low260 Ų260141.7 Ų141.798%0.98183%0.825SS**  trans-90.4139.5169.9-76.2178.5171176-3.2110.8
1061G28Very low34.7Very low69 Ų69145.3 Ų145.371%0.71183%0.832SS**  trans119.5103.9141.300000118.6
1062H29.3Very low34.4Very low176 Ų176145.2 Ų145.282%0.81583%0.832SS**  trans51.9110.4143.1-78.5-86.5000122.7
1063T26.3Very low33.9Very low121 Ų121144.1 Ų144.174%0.74282%0.824SS**  trans79139.4130.151.70000123.1
1064E27.3Very low33.2Very low182 Ų182140 Ų14085%0.8582%0.82SS**  trans93124160.6-49-152.7151.600121.9
1065S28.4Very low32.4Very low107 Ų107139.7 Ų139.775%0.74881%0.812SS**  trans72.1105141-62.80000126.2
1066R30.2Very low32.1Very low243 Ų243144.3 Ų144.392%0.91781%0.812SS**  80.1118.6116.4-154.7172.6-173170.50.9123.7
1067A29.2Very low31.8Very low86 Ų86137.1 Ų137.171%0.71180%0.801SS**  trans100.2127140.100000127.6
1068H35.1Very low31.3Very low178 Ų178140.5 Ų140.582%0.82480%0.803SS**  trans64.4113.5134.3-70.4-65.6000130.3
1069S32.7Very low31.2Very low118 Ų118138.3 Ų138.383%0.82580%0.798SS**  61.3144.9127.563.60000128.3
1070G30.7Very low31.3Very low75 Ų75145.6 Ų145.677%0.77380%0.8SS**  trans177.6159.9165.700000118
1071M33.1Very low31.3Very low180 Ų180143 Ų14389%0.88780%0.796SS**  trans-155.7-179.8-161.9-78.3131.860.300113.5
1072S34Very low31.6Very low109 Ų109144.1 Ų144.176%0.76280%0.798SS**  cis174167.5-26.2-77.80000109.2
1073S32.6Very low31.6Very low108 Ų108140.5 Ų140.576%0.75579%0.793SS**  cis-173.2-174.6-27.767.40000111.9
1074S34Very low31.8Very low117 Ų117145.2 Ų145.282%0.81880%0.799SS**  trans86.5169.1172.784.40000119.6
1075S30.4Very low31.8Very low99 Ų99143.1 Ų143.169%0.69280%0.798SS**  cis-164.4153.612.6610000117.5
1076Q33.2Very low31.9Very low177 Ų177145.4 Ų145.483%0.82780%0.801SS**  trans29.5169.7142.2-59.8-170.518.800125.6
1077A33.8Very low32.9Very low79 Ų79140 Ų14065%0.65380%0.798SS**  cis180166.3-38.500000114.6
1078K34.9Very low32.8Very low190 Ų190139.1 Ų139.183%0.82680%0.797SS**  trans88111152.9-60.8169.7-177.81670126.3
1079N33.1Very low32.6Very low151 Ų151139.9 Ų139.981%0.80780%0.801SS**  73.4150.3108.5-146.86.1000127.4
1080R31.6Very low32.5Very low232 Ų232141.8 Ų141.888%0.87580%0.8SS**  trans101168.4156.2-78.8-173.8172.4-175.4-2.6123.8
1081K30.2Very low32.3Very low207 Ų207146.8 Ų146.890%0.980%0.803SS**  trans-142.1162.8-162.2-53.8177.4177.5-177.80113.6
1082A34Very low32.3Very low91 Ų91143.1 Ų143.175%0.75280%0.795SS**  151.1151.9115.300000119.9
1083S29.9Very low32Very low100 Ų100142.7 Ų142.770%0.69979%0.792SS**  trans74.7116.6141.6460000127.2
1084Y29.3Very low31.8Very low221 Ų221148.2 Ų148.287%0.86780%0.797SS**  trans51.4159.3136.8-63.2-78.4000122.5
1085T28Very low31.5Very low138 Ų138150.4 Ų150.485%0.84779%0.794SS**  cis-149.6176.622.4-33.10000114.1
1086L30.8Very low31.3Very low155 Ų155152.1 Ų152.181%0.81280%0.8SS**  trans-97.7172.2-177-107.2168.9000113
1087P49.3Very low31Very low130 Ų130148.7 Ų148.784%0.84480%0.795SS**  -151.8173.65942.8-22.2000119.5
1088G29Very low31.3Very low67 Ų67149.6 Ų149.669%0.69180%0.803SS**  trans145.487.8155.400000118.3
1089Q29.7Very low31.3Very low193 Ų193147.8 Ų147.890%0.90280%0.801SS**  trans31.4136.5154.8-67.3-174.1-31.700120.8
1090I30.9Very low31.3Very low158 Ų158147.7 Ų147.781%0.8180%0.796SS**  cis-134.4148.423.3-64174.1000110.8
1091E27.5Very low31.5Very low180 Ų180143.8 Ų143.884%0.84178%0.782SS**  trans-90154.2-178.9-69.7175.9136.200112.7
1092S32Very low31.7Very low103 Ų103139.5 Ų139.572%0.7277%0.773SS**  cis110.9127.114.1-72.60000115.5
1093S27.5Very low31.9Very low100 Ų100141.4 Ų141.470%0.69977%0.766SS**  trans81.2104.6145.9-63.90000123.7
1094W28.9Very low32Very low225 Ų225139.2 Ų139.285%0.85276%0.759SS**  71.5150.3126-7297.5000123.9
1095H28.2Very low32.2Very low162 Ų162133.6 Ų133.675%0.7576%0.759SS**  trans100.9128.8148.1-81.6-59.6000123.4
1096V25.3Very low32.3Very low136 Ų136134.9 Ų134.982%0.82476%0.755SS**  trans88154.3143.4170.40000119.4
1097S27.1Very low32.2Very low104 Ų104135.6 Ų135.673%0.72775%0.752SS**  trans-93.1155.3-158.6-46.40000115.6
1098A39.7Very low31.5Very low99 Ų99134.7 Ų134.782%0.81874%0.744SS**  trans30.9109.5142.400000120
1099L34.5Very low32.5Very low151 Ų151136.8 Ų136.879%0.79175%0.746SS**  trans-152.8170.2160.5-97.2166.6000106.5R1101L1099-R1101 HydrophobicContact CD2-CB 3.87Å; L1099-R1101 HydrophobicContact CD2-CG 3.94Å
1100Q33.8Very low32.5Very low150 Ų150135 Ų13570%0.70174%0.737SS**  cis-142142.79.4178.9173.1-128.400107.9
1101R36.4Very low32.5Very low150 Ų150135 Ų13557%0.56673%0.734SS**  cis-179.1-136.8-13.2-177.2-132.2-56.8160.54.9104L1099 E1103L1099-R1101 HydrophobicContact CD2-CB 3.87Å; L1099-R1101 HydrophobicContact CD2-CG 3.94Å; R1101-E1103 VanDerWaalsContact CD-CD 3.41Å; R1101-E1103 WeakPolarHBondContact CD-OE1 3.11Å; R1101-E1103 WeakPolarHBondContact CD-OE2 2.93Å; R1101-E1103 WeakPolarHBondContact CG-OE1 3.48Å; R1101-E1103 IonicContact CZ-OE2 2.64Å; R1101-E1103 IonicContact NE-OE2 3.81Å; R1101-E1103 IonicContact NH1-OE2 3.08Å; R1101-E1103 PolarHBondContact NH1-OE2 3.41Å
1102V33.7Very low32.7Very low117 Ų117134.8 Ų134.871%0.70974%0.737SS**  trans72112.3159.5-171.50000115.6
1103E37.9Very low32.5Very low130 Ų130133.1 Ų133.161%0.60774%0.737SS**  cis-163.2-175.7-23.4-133.168-67.800105.7R1101R1101-E1103 VanDerWaalsContact CD-CD 3.41Å; R1101-E1103 WeakPolarHBondContact CD-OE1 3.11Å; R1101-E1103 WeakPolarHBondContact CD-OE2 2.93Å; R1101-E1103 WeakPolarHBondContact CG-OE1 3.48Å; R1101-E1103 IonicContact CZ-OE2 2.64Å; R1101-E1103 IonicContact NE-OE2 3.81Å; R1101-E1103 IonicContact NH1-OE2 3.08Å; R1101-E1103 PolarHBondContact NH1-OE2 3.41Å
1104G32.3Very low32.7Very low55 Ų55136.5 Ų136.557%0.56775%0.745SS**  cis165.8-177.74.400000112.2
1105A33.4Very low32.8Very low103 Ų103135.2 Ų135.285%0.85175%0.745SS**  trans59.8-164.4173.800000113
1106Q30.3Very low33.5Very low165 Ų165133.4 Ų133.477%0.77175%0.748SS**  cis-143.1-164.62.3-137.6-95.5-2.700109.5
1107F28.6Very low33.6Very low170 Ų170130.5 Ų130.575%0.74675%0.746SS**  trans-89.2118.6-168-91.1-98.6000114.1
1108T34.9Very low33.9Very low111 Ų111134.4 Ų134.468%0.68175%0.752SS**  43.2161.4123.966.60000122.5
1109P50.6Low33.5Very low111 Ų111137.3 Ų137.372%0.72175%0.754SS**  cis-139.9-147.7-47.841.8-22000112.1
1110E29.9Very low33.5Very low155 Ų155133.6 Ų133.672%0.72475%0.752SS**  trans82.3144.7169.3-55.5-138.1102.900118.4
1111Q30.3Very low34Very low158 Ų158131.9 Ų131.974%0.73875%0.754SS**  cis-141.9-172.90.5-136169.642.200113.5
1112L32.5Very low33.8Very low175 Ų175130.1 Ų130.192%0.91676%0.761SS**  trans-118.9163.5-153.2-70.2161.3000116.3
1113G27.6Very low33.7Very low69 Ų69133.8 Ų133.871%0.71177%0.767SS**  trans103.3158158.400000116.5
1114I29.9Very low33.6Very low171 Ų171133.5 Ų133.588%0.87778%0.775SS**  cis-143.9155.5-1.1-66.9-174000110.1
1115K31.1Very low33.5Very low197 Ų197142.2 Ų142.286%0.85779%0.791SS**  trans-128.7171.9169.1-87.7-176.1178.5177.40108.2
1116P43.8Very low33.3Very low125 Ų125141.3 Ų141.381%0.81278%0.783SS**  cis-135.1-168.2-5.838.4-18.8000114.5
1117G28.2Very low33.3Very low75 Ų75139.6 Ų139.677%0.77379%0.789SS**  trans102.8148.4151.400000116.8
1118Q32.1Very low33.6Very low185 Ų185142.8 Ų142.886%0.86480%0.796SS**  cis-155.3167.6-6.9-160171.314.100110.4
1119N32.7Very low33.8Very low160 Ų160144.6 Ų144.686%0.85681%0.807SS**  trans95.3130179.3-54.7-22000116.5
1120G34.1Very low33.1Very low73 Ų73151 Ų15175%0.75382%0.817SS**  trans-134.4-147.5177.500000110.7
1121P43.4Very low33.5Very low114 Ų114151.8 Ų151.874%0.7482%0.823SS**  cis-131.4172-0.141.6-26.1000115.2
1122T32.8Very low34.1Very low114 Ų114149.9 Ų149.970%0.69982%0.824SS**  trans42.6135.7150.657.30000121
1123F31.9Very low34.5Very low193 Ų193146.2 Ų146.285%0.84681%0.805SS**  -163.6-178.454.1-123.6-75.6000111.8
1124T35.3Very low35.1Very low125 Ų125150.2 Ų150.277%0.76781%0.81SS**  trans-113.7159.4-175.555.10000115.2
1125R29.6Very low35.6Very low238 Ų238147.5 Ų147.590%0.89880%0.797SS**  trans107.7137.7136.7-153.9-179.9-175.1-1763.1120
1126A30.5Very low36.1Very low83 Ų83142.6 Ų142.669%0.68678%0.78SS**  trans62.2100.315600000120.6R1128A1126-R1128 PolarHBondContact O-N 3.01Å
1127S30.1Very low36.1Very low130 Ų130143.4 Ų143.491%0.90978%0.777SS**  trans-76.2107.8154.335.70000111.3
1128R33.7Very low36.5Very low237 Ų237147.7 Ų147.789%0.89477%0.774SS**  trans-78.3157.6164.7-80.5-173.2170.8-160.1-1.8111.1A1126A1126-R1128 PolarHBondContact O-N 3.01Å
1129T40.1Very low36.9Very low148 Ų148147.5 Ų147.591%0.90877%0.773SS**  trans-60.1139.3171.143.70000111.9
1130R34.8Very low37.3Very low247 Ų247145.7 Ų145.793%0.93277%0.768SS**  trans-107.6136.9172.7-167.2179.5-172.5-177.22.7108.9
1131M40.1Very low37.3Very low171 Ų171146 Ų14684%0.84276%0.764SS**PPolyproline II helixtrans-73.7158.3177.1-61.8-162.6-57.300111.9
1132P42.3Very low36.8Very low118 Ų118151.4 Ų151.477%0.76679%0.785SS**PPolyproline II helixtrans-61.5169176-2335.1000114.4
1133N40.1Very low37Very low97 Ų97153.3 Ų153.352%0.51979%0.79SS.*PPolyproline II helixtrans-87.3150.2-176.1-172.416.1000111.4N1135 D1136N1133-N1135 PolarHBondContact O-N 2.87Å; N1133-D1136 WeakPolarHBondContact CB-OD2 3.41Å; N1133-D1136 PolarHBondContact N-OD2 3.34Å; N1133-D1136 PolarHBondContact O-N 3.43Å
1134L40.9Very low37.3Very low153 Ų153151.2 Ų151.280%0.80179%0.787SS**THydrogen-bonded Turntrans-71.5-14.1-176.8-133.182.5000113.7
1135N40.2Very low37.4Very low115 Ų115152.7 Ų152.762%0.61579%0.788SS**THydrogen-bonded Turntrans-75.1-32.8173.2-73-0.7000112N1133 L1137 K1138N1133-N1135 PolarHBondContact O-N 2.87Å; N1135-L1137 PolarHBondContact O-N 3.46Å; N1135-L1137 VanDerWaalsContact O-N 3.1Å; N1135-K1138 PolarHBondContact O-N 2.73Å
1136D41.8Very low37.9Very low94 Ų94147.6 Ų147.650%0.50378%0.781SS.*THydrogen-bonded Turntrans-66.3-17.9-173.8-46-20.8000111.9N1133N1133-D1136 WeakPolarHBondContact CB-OD2 3.41Å; N1133-D1136 PolarHBondContact N-OD2 3.34Å; N1133-D1136 PolarHBondContact O-N 3.43Å
1137L43.7Very low38.3Very low142 Ų142151.7 Ų151.774%0.74379%0.787SS**THydrogen-bonded Turntrans-90.70.9178.6-137.778.4000114.2N1135N1135-L1137 PolarHBondContact O-N 3.46Å; N1135-L1137 VanDerWaalsContact O-N 3.1Å
1138K36.3Very low38.9Very low164 Ų164153.1 Ų153.171%0.71378%0.779SS**SBendtrans-97.2-22.7-178.1-102.8-174.8173.8-176.10114.8N1135 T1140N1135-K1138 PolarHBondContact O-N 2.73Å; K1138-T1140 VanDerWaalsContact C-N 3.33Å
1139E40.1Very low39.2Very low182 Ų182147.1 Ų147.185%0.8577%0.771SS**THydrogen-bonded Turntrans-86.4-5.2178.6-64.2-173.1144.700112.9
1140T41.6Very low39.2Very low121 Ų121147.1 Ų147.174%0.74276%0.76SS**THydrogen-bonded Turntrans-98.516179.1-15.90000113.6K1138K1138-T1140 VanDerWaalsContact C-N 3.33Å
1141A34.3Very low39.5Very low80 Ų80138.8 Ų138.866%0.66175%0.746SS**  trans-143.730-16900000114.1
1142L33.1Very low39.5Very low228 Ų228135.8 Ų135.8100%1.19474%0.737SS**  trans-136.30173.2-78.9172.9000110

Retrieved 1,142 of 1,142 residues in 1099.4 ms (Link to these results)

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