A0A077Z958_TRITR Loading...

Prefoldin subunit 3

AlphaFold DB , UniProt , Accession A0A077Z958, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 178 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
1M38.8Very low63.8Low190 Ų19091.6 Ų91.694%0.93648%0.481SS*.  0-460-99.1174.5138.400111.1T3 T4 E5M1-T3 PolarHBondContact O-N 3.39Å; M1-T4 PolarHBondContact O-N 3.05Å; M1-T4 PolarHBondContact O-OG1 2.75Å; M1-E5 PolarHBondContact O-N 2.9Å
2E46.5Very low65.4Low146 Ų14691.5 Ų91.568%0.68249%0.493SS*.Hα-helixtrans-56.4-47.5176.1-83.5176.5144.200114.1T4 E5 E6E2-T4 VanDerWaalsContact C-N 3.33Å; E2-T4 PolarHBondContact O-N 3.27Å; E2-E5 PolarHBondContact O-N 3.46Å; E2-E6 WeakPolarHBondContact O-CG 3.15Å; E2-E6 PolarHBondContact O-N 3.43Å
3T57.2Low66.9Low64 Ų6486 Ų8639%0.39346%0.463SS..Hα-helixtrans-61.4-39.6-177.253.10000113.1M1 D7M1-T3 PolarHBondContact O-N 3.39Å; T3-D7 WeakPolarHBondContact O-CB 3.36Å; T3-D7 PolarHBondContact O-N 2.97Å
4T61.8Low68Low91 Ų9184.1 Ų84.156%0.55846%0.458SS*.Hα-helixtrans-69.3-36179.337.30000112.6M1 E2 S8M1-T4 PolarHBondContact O-N 3.05Å; M1-T4 PolarHBondContact O-OG1 2.75Å; E2-T4 VanDerWaalsContact C-N 3.33Å; E2-T4 PolarHBondContact O-N 3.27Å; T4-S8 PolarHBondContact O-N 3.01Å; T4-S8 VanDerWaalsContact O-N 3.16Å
5E61.3Low69.3Low100 Ų10084.7 Ų84.747%0.46747%0.465SS..Hα-helixtrans-71.8-43176.1-73.5-171.8-173.700111.5M1 E2 D7 S8 R9M1-E5 PolarHBondContact O-N 2.9Å; E2-E5 PolarHBondContact O-N 3.46Å; E5-D7 VanDerWaalsContact C-N 3.34Å; E5-D7 PolarHBondContact O-N 3.02Å; E5-S8 PolarHBondContact O-N 3.46Å; E5-S8 PolarHBondContact O-OG 3.34Å; E5-R9 WeakPolarHBondContact O-CG 3.18Å; E5-R9 PolarHBondContact O-N 3.29Å; E5-R9 IonicContact OE2-NH2 2.67Å
6E63.5Low70.4Confident40 Ų4080.1 Ų80.119%0.18744%0.441CS..Hα-helixtrans-60.5-43.4175.7-75.2-178.4162.200112.1E2 S8 R9 F10 H58E2-E6 WeakPolarHBondContact O-CG 3.15Å; E2-E6 PolarHBondContact O-N 3.43Å; E6-S8 VanDerWaalsContact C-N 3.32Å; E6-S8 PolarHBondContact O-N 2.56Å; E6-R9 PolarHBondContact O-N 3.4Å; E6-F10 WeakPolarHBondContact O-CB 3.43Å; E6-F10 PolarHBondContact O-N 2.84Å; E6-H58 IonicContact OE1-ND1 2.76Å; E6-H58 PolarHBondContact OE1-ND1 2.92Å; E6-H58 IonicContact OE2-CE1 3.82Å; E6-H58 PolarHBondContact OE2-CE1 3.29Å; E6-H58 IonicContact OE2-CG 2.8Å; E6-H58 IonicContact OE2-ND1 3.96Å; E6-H58 PolarHBondContact OE2-ND1 3.48Å
7D69.9Low71.3Confident51 Ų5182.6 Ų82.627%0.27345%0.453SS..Hα-helixtrans-60.7-41.9176.7-67.9-9.8000111.2T3 E5 S11 K142 R149T3-D7 WeakPolarHBondContact O-CB 3.36Å; T3-D7 PolarHBondContact O-N 2.97Å; E5-D7 VanDerWaalsContact C-N 3.34Å; E5-D7 PolarHBondContact O-N 3.02Å; D7-S11 WeakPolarHBondContact O-CB 3.47Å; D7-S11 PolarHBondContact O-N 2.97Å; D7-K142 IonicContact OD1-NZ 3.54Å; D7-K142 IonicContact OD2-NZ 3.05Å; D7-R149 VanDerWaalsContact CG-NH2 3.26Å; D7-R149 IonicContact OD1-CZ 2.8Å; D7-R149 IonicContact OD1-NH1 3.87Å; D7-R149 PolarHBondContact OD1-NH1 3.07Å; D7-R149 IonicContact OD1-NH2 2.74Å; D7-R149 PolarHBondContact OD1-NH2 2.94Å; D7-R149 IonicContact OD2-NH2 3.42Å
8S70.8Confident72.2Confident70 Ų7082.6 Ų82.649%0.4945%0.452SS..Hα-helixtrans-65.2-41.5177.875.70000112.8T4 E5 E6 S11 S12T4-S8 PolarHBondContact O-N 3.01Å; T4-S8 VanDerWaalsContact O-N 3.16Å; E5-S8 PolarHBondContact O-N 3.46Å; E5-S8 PolarHBondContact O-OG 3.34Å; E6-S8 VanDerWaalsContact C-N 3.32Å; E6-S8 PolarHBondContact O-N 2.56Å; S8-S11 PolarHBondContact O-N 3Å; S8-S12 WeakPolarHBondContact O-CB 3.25Å; S8-S12 PolarHBondContact O-N 3Å; S8-S12 PolarHBondContact O-OG 3.37Å
9R71.7Confident72.9Confident124 Ų12479.2 Ų79.247%0.46843%0.433SS..Hα-helixtrans-68.8-41.8179.4-70.7-177.4-166.2171.59.4111.3E5 E6 S12 L13E5-R9 WeakPolarHBondContact O-CG 3.18Å; E5-R9 PolarHBondContact O-N 3.29Å; E5-R9 IonicContact OE2-NH2 2.67Å; E6-R9 PolarHBondContact O-N 3.4Å; R9-S12 WeakPolarHBondContact CA-OG 3.32Å; R9-S12 PolarHBondContact O-N 2.87Å; R9-S12 PolarHBondContact O-OG 3.3Å; R9-L13 PolarHBondContact O-N 3.26Å
10F80.8Confident73.5Confident33 Ų3383.8 Ų83.815%0.14545%0.451CS..Hα-helixtrans-61.1-46.3174.5-176.7-93.2000111.4E6 S12 L13 L55 R149 F152 L153E6-F10 WeakPolarHBondContact O-CB 3.43Å; E6-F10 PolarHBondContact O-N 2.84Å; F10-S12 PolarHBondContact O-N 3.21Å; F10-L13 HydrophobicContact CD2-CD1 4.2Å; F10-L13 WeakPolarHBondContact O-CB 3.47Å; F10-L13 PolarHBondContact O-N 3.21Å; F10-L55 HydrophobicContact CD2-CD1 4.03Å; F10-L55 HydrophobicContact CE2-CD1 4.07Å; F10-R149 HydrophobicContact CD1-CG 4.18Å; F10-R149 HydrophobicContact CD2-CB 4.26Å; F10-R149 HydrophobicContact CD2-CG 4.42Å; F10-R149 HydrophobicContact CE1-CB 4.22Å; F10-R149 HydrophobicContact CE1-CG 3.72Å; F10-R149 HydrophobicContact CE2-CB 3.58Å; F10-R149 HydrophobicContact CE2-CG 3.97Å; F10-R149 HydrophobicContact CZ-CB 3.56Å; F10-R149 HydrophobicContact CZ-CG 3.59Å; F10-F152 HydrophobicContact CE1-CD1 4.32Å; F10-F152 HydrophobicContact CE2-CD1 4.15Å; F10-F152 HydrophobicContact CZ-CB 4.32Å; F10-F152 AromaticContact CZ-CD1 3.52Å; F10-F152 HydrophobicContact CZ-CD1 3.52Å; F10-F152 HydrophobicContact CZ-CE1 4.2Å; F10-F152 HydrophobicContact CZ-CG 4.2Å; F10-L153 HydrophobicContact CE2-CD1 4.19Å; F10-L153 HydrophobicContact CE2-CD2 4.1Å; F10-L153 HydrophobicContact CE2-CG 3.91Å
11S79.7Confident74Confident99 Ų9984 Ų8469%0.69245%0.452SS*.Hα-helixtrans-66.5-21.7177.8-174.50000113.7D7 S8 L13D7-S11 WeakPolarHBondContact O-CB 3.47Å; D7-S11 PolarHBondContact O-N 2.97Å; S8-S11 PolarHBondContact O-N 3Å; S11-L13 VanDerWaalsContact C-N 3.3Å
12S82.6Confident76.1Confident90 Ų9076.1 Ų76.163%0.62941%0.414SS*.THydrogen-bonded Turntrans-81.9-8.7177.571.90000113.7S8 R9 F10S8-S12 WeakPolarHBondContact O-CB 3.25Å; S8-S12 PolarHBondContact O-N 3Å; S8-S12 PolarHBondContact O-OG 3.37Å; R9-S12 WeakPolarHBondContact CA-OG 3.32Å; R9-S12 PolarHBondContact O-N 2.87Å; R9-S12 PolarHBondContact O-OG 3.3Å; F10-S12 PolarHBondContact O-N 3.21Å
13L84.7Confident77.7Confident20 Ų2073.3 Ų73.311%0.10540%0.403CS..SBendtrans-66.4132179.2-72.6172.7000110.3R9 F10 S11 Q47 Y48 C51 L153R9-L13 PolarHBondContact O-N 3.26Å; F10-L13 HydrophobicContact CD2-CD1 4.2Å; F10-L13 WeakPolarHBondContact O-CB 3.47Å; F10-L13 PolarHBondContact O-N 3.21Å; S11-L13 VanDerWaalsContact C-N 3.3Å; L13-Q47 HydrophobicContact CD2-CB 4.27Å; L13-Y48 HydrophobicContact CB-CE1 4.13Å; L13-Y48 HydrophobicContact CD1-CD1 4.17Å; L13-Y48 HydrophobicContact CD2-CD1 4.05Å; L13-Y48 HydrophobicContact CD2-CE1 4.32Å; L13-Y48 HydrophobicContact CG-CD1 4.5Å; L13-C51 HydrophobicContact CD1-CB 3.93Å; L13-L153 HydrophobicContact CD1-CD2 3.59Å
14P83Confident78.9Confident59 Ų5975.3 Ų75.338%0.38341%0.408SS..PPolyproline II helixtrans-63.3147176.327.1-33.5000109.7T44 Y48P14-T44 HydrophobicContact CG-CG2 3.52Å; P14-Y48 WeakPolarHBondContact O-CE1 3.49Å; P14-Y48 PolarHBondContact O-OH 3.03Å
15V87.6Confident79.8Confident93 Ų9373.8 Ų73.856%0.56439%0.393SS*.PPolyproline II helixtrans-88.5126.4172.7-177.30000108.5F152V15-F152 HydrophobicContact CG2-CZ 4.38Å
16C86.2Confident80.4Confident12 Ų1269.8 Ų69.88%0.08137%0.374CS..  trans-89.4115.3174.9-164.90000110.1Q156 V159 M160 N163C16-Q156 PolarHBondContact O-OE1 2.98Å; C16-V159 HydrophobicContact CB-CG1 4.43Å; C16-M160 HydrophobicContact CB-CE 3.84Å; C16-M160 WeakPolarHBondContact SG-CE 3.49Å; C16-M160 VanDerWaalsContact SG-SD 3.68Å; C16-N163 PolarHBondContact SG-ND2 2.86Å; C16-N163 VanDerWaalsContact SG-ND2 3.41Å
17N86.4Confident81Confident122 Ų12272.7 Ų72.765%0.65240%0.395SS*.  trans-98.3148.1171.4-65.2-36.4000110.1I19 N163N17-I19 PolarHBondContact O-N 3.43Å; N17-N163 PolarHBondContact O-ND2 3.32Å
18L87.8Confident81Confident82 Ų8276.2 Ų76.243%0.42941%0.413SS..  trans-64.3129.2173.3-175.165.6000109.8E20 V159 L162L18-E20 PolarHBondContact O-N 3.13Å; L18-V159 HydrophobicContact CB-CG1 4.25Å; L18-L162 HydrophobicContact CD1-CD2 3.49Å; L18-L162 VanDerWaalsContact CD1-CD2 3.49Å; L18-L162 HydrophobicContact CD1-CG 3.91Å
19I85.4Confident80.8Confident18 Ų1875.9 Ų75.99%0.09241%0.406CS..  trans-83.9103.8177.9-59.5163.9000108N17 D21 I22 Y25 F41 N163 R166 I167N17-I19 PolarHBondContact O-N 3.43Å; I19-D21 WeakPolarHBondContact CG2-O 3.42Å; I19-I22 HydrophobicContact CG2-CG1 4.5Å; I19-Y25 HydrophobicContact CD1-CD1 3.92Å; I19-Y25 HydrophobicContact CD1-CD2 4.03Å; I19-Y25 HydrophobicContact CD1-CE1 3.9Å; I19-Y25 HydrophobicContact CD1-CE2 4.01Å; I19-Y25 HydrophobicContact CD1-CG 3.99Å; I19-Y25 HydrophobicContact CG1-CD2 4.04Å; I19-Y25 HydrophobicContact CG1-CE2 4.21Å; I19-Y25 HydrophobicContact CG1-CG 4.31Å; I19-Y25 VanDerWaalsContact CG2-CB 3.5Å; I19-Y25 HydrophobicContact CG2-CD1 4.48Å; I19-Y25 HydrophobicContact CG2-CD2 4.04Å; I19-Y25 HydrophobicContact CG2-CG 3.76Å; I19-F41 HydrophobicContact CD1-CE2 3.82Å; I19-F41 HydrophobicContact CD1-CZ 3.55Å; I19-N163 HydrophobicContact CD1-CB 4Å; I19-N163 PolarHBondContact N-OD1 3.28Å; I19-R166 PolarHBondContact O-NH1 2.65Å; I19-R166 PolarHBondContact O-NH2 3.06Å; I19-R166 VanDerWaalsContact O-NH2 3.17Å; I19-I167 HydrophobicContact CD1-CD1 4.07Å
20E84.2Confident79.8Confident171 Ų17172.2 Ų72.280%0.79941%0.407SS*.SBendtrans-68-49.2179.8-66.8-171.5173.500112.2L18 R166L18-E20 PolarHBondContact O-N 3.13Å; E20-R166 PolarHBondContact O-NH2 2.9Å
21D84.8Confident78.3Confident89 Ų8979.6 Ų79.648%0.47644%0.441SS..  trans-109.4106-179.9-171.1-24000110.5I19 D23 H24 Y25I19-D21 WeakPolarHBondContact CG2-O 3.42Å; D21-D23 WeakPolarHBondContact OD1-CB 3Å; D21-D23 PolarHBondContact OD1-N 3.27Å; D21-D23 VanDerWaalsContact OD1-N 3.08Å; D21-H24 HydrophobicContact CB-CB 3.96Å; D21-H24 VanDerWaalsContact CG-CB 3.49Å; D21-H24 PolarHBondContact OD1-N 2.69Å; D21-Y25 WeakPolarHBondContact O-CB 3.45Å; D21-Y25 PolarHBondContact O-N 3.49Å
22I82.7Confident77.1Confident24 Ų2477.7 Ų77.712%0.12344%0.438CS..Hα-helixtrans-74.5-37.7-176.9-56.6162.6000110.7I19 Y25 I26 R166 I167 Y170I19-I22 HydrophobicContact CG2-CG1 4.5Å; I22-Y25 PolarHBondContact O-N 2.84Å; I22-I26 HydrophobicContact CG2-CD1 3.53Å; I22-I26 HydrophobicContact CG2-CG1 4.22Å; I22-I26 WeakPolarHBondContact O-CB 3.44Å; I22-I26 VanDerWaalsContact O-CG1 3.26Å; I22-I26 WeakPolarHBondContact O-CG1 3.24Å; I22-I26 PolarHBondContact O-N 3.45Å; I22-R166 HydrophobicContact CD1-CB 3.65Å; I22-R166 HydrophobicContact CD1-CG 4.44Å; I22-R166 HydrophobicContact CG1-CB 4.39Å; I22-I167 HydrophobicContact CG2-CG1 4.06Å; I22-Y170 HydrophobicContact CG2-CD1 4.3Å; I22-Y170 HydrophobicContact CG2-CD2 4.13Å; I22-Y170 HydrophobicContact CG2-CG 3.8Å
23D79.8Confident76.5Confident87 Ų8778.5 Ų78.547%0.46543%0.434SS..Hα-helixtrans-61-48.9177.6-84.2-69.3000110.2D21 Y25 I26 T27 Y170D21-D23 WeakPolarHBondContact OD1-CB 3Å; D21-D23 PolarHBondContact OD1-N 3.27Å; D21-D23 VanDerWaalsContact OD1-N 3.08Å; D23-Y25 VanDerWaalsContact C-N 3.35Å; D23-Y25 PolarHBondContact O-N 2.99Å; D23-I26 PolarHBondContact O-N 3.15Å; D23-T27 WeakPolarHBondContact O-CB 3.26Å; D23-T27 WeakPolarHBondContact O-CG2 3.45Å; D23-T27 PolarHBondContact O-N 3.38Å; D23-T27 PolarHBondContact O-OG1 3.46Å; D23-Y170 VanDerWaalsContact CG-CE2 3.41Å; D23-Y170 WeakPolarHBondContact OD1-CE2 3.42Å; D23-Y170 PolarHBondContact OD1-OH 3.08Å; D23-Y170 WeakPolarHBondContact OD2-CE2 3.5Å
24H82.1Confident76Confident106 Ų10678.6 Ų78.649%0.49144%0.437SS..Hα-helixtrans-63.6-41.4176.3-174-99.8000111.5D21 I26 T27 L28D21-H24 HydrophobicContact CB-CB 3.96Å; D21-H24 VanDerWaalsContact CG-CB 3.49Å; D21-H24 PolarHBondContact OD1-N 2.69Å; H24-I26 PolarHBondContact O-N 3.04Å; H24-T27 WeakPolarHBondContact CA-OG1 3.47Å; H24-T27 PolarHBondContact O-N 3.24Å; H24-T27 PolarHBondContact O-OG1 3.02Å; H24-L28 VanDerWaalsContact O-CB 3.25Å; H24-L28 WeakPolarHBondContact O-CB 3.41Å; H24-L28 PolarHBondContact O-N 3.41Å
25Y80.2Confident75.7Confident59 Ų5983.3 Ų83.323%0.23145%0.451CS..Hα-helixtrans-64.1-40.7179.3-176.1-91.3000113.1I19 D21 I22 D23 N29 A37 F41I19-Y25 HydrophobicContact CD1-CD1 3.92Å; I19-Y25 HydrophobicContact CD1-CD2 4.03Å; I19-Y25 HydrophobicContact CD1-CE1 3.9Å; I19-Y25 HydrophobicContact CD1-CE2 4.01Å; I19-Y25 HydrophobicContact CD1-CG 3.99Å; I19-Y25 HydrophobicContact CG1-CD2 4.04Å; I19-Y25 HydrophobicContact CG1-CE2 4.21Å; I19-Y25 HydrophobicContact CG1-CG 4.31Å; I19-Y25 VanDerWaalsContact CG2-CB 3.5Å; I19-Y25 HydrophobicContact CG2-CD1 4.48Å; I19-Y25 HydrophobicContact CG2-CD2 4.04Å; I19-Y25 HydrophobicContact CG2-CG 3.76Å; D21-Y25 WeakPolarHBondContact O-CB 3.45Å; D21-Y25 PolarHBondContact O-N 3.49Å; I22-Y25 PolarHBondContact O-N 2.84Å; D23-Y25 VanDerWaalsContact C-N 3.35Å; D23-Y25 PolarHBondContact O-N 2.99Å; Y25-N29 WeakPolarHBondContact CD2-ND2 3.45Å; Y25-N29 WeakPolarHBondContact CE1-ND2 3.49Å; Y25-N29 WeakPolarHBondContact CE2-ND2 3.43Å; Y25-N29 WeakPolarHBondContact O-CB 3.34Å; Y25-N29 PolarHBondContact O-N 2.84Å; Y25-N29 PolarHBondContact O-ND2 3.47Å; Y25-A37 HydrophobicContact CE1-CB 4.2Å; Y25-F41 HydrophobicContact CE1-CE2 4Å; Y25-F41 HydrophobicContact CE1-CZ 4.02Å; Y25-F41 AromaticContact CZ-CZ 3.72Å; Y25-F41 VanDerWaalsContact OH-CZ 3.24Å; Y25-F41 WeakPolarHBondContact OH-CZ 3.35Å
26I75.4Confident75.4Confident16 Ų1682.6 Ų82.68%0.08244%0.444CS..Hα-helixtrans-71.6-39.6179.7-68.5167.1000110.8I22 D23 H24 P34 I167 Y170I22-I26 HydrophobicContact CG2-CD1 3.53Å; I22-I26 HydrophobicContact CG2-CG1 4.22Å; I22-I26 WeakPolarHBondContact O-CB 3.44Å; I22-I26 VanDerWaalsContact O-CG1 3.26Å; I22-I26 WeakPolarHBondContact O-CG1 3.24Å; I22-I26 PolarHBondContact O-N 3.45Å; D23-I26 PolarHBondContact O-N 3.15Å; H24-I26 PolarHBondContact O-N 3.04Å; I26-P34 HydrophobicContact CD1-CB 4.33Å; I26-P34 HydrophobicContact CD1-CG 4.1Å; I26-P34 HydrophobicContact CG2-CG 4.14Å; I26-I167 HydrophobicContact CD1-CG2 4.47Å; I26-Y170 HydrophobicContact CD1-CD1 3.24Å; I26-Y170 HydrophobicContact CD1-CE1 3.34Å; I26-Y170 HydrophobicContact CD1-CG 4.03Å
27T75.5Confident75.2Confident102 Ų10282.6 Ų82.663%0.62645%0.445SS*.Hα-helixtrans-68.7-36.7177.846.50000112.6D23 H24D23-T27 WeakPolarHBondContact O-CB 3.26Å; D23-T27 WeakPolarHBondContact O-CG2 3.45Å; D23-T27 PolarHBondContact O-N 3.38Å; D23-T27 PolarHBondContact O-OG1 3.46Å; H24-T27 WeakPolarHBondContact CA-OG1 3.47Å; H24-T27 PolarHBondContact O-N 3.24Å; H24-T27 PolarHBondContact O-OG1 3.02Å
28L69.5Low75Confident125 Ų12577.8 Ų77.865%0.65442%0.418SS*.Hα-helixtrans-75.9-30.8-178.3-152.384.9000113.9H24 G30H24-L28 VanDerWaalsContact O-CB 3.25Å; H24-L28 WeakPolarHBondContact O-CB 3.41Å; H24-L28 PolarHBondContact O-N 3.41Å; L28-G30 VanDerWaalsContact C-N 3.29Å; L28-G30 PolarHBondContact O-N 2.95Å
29N66.2Low74.9Confident63 Ų6379.8 Ų79.834%0.33743%0.426SS..THydrogen-bonded Turntrans-85.77.3-175.1-78.9-62.7000115.3Y25Y25-N29 WeakPolarHBondContact CD2-ND2 3.45Å; Y25-N29 WeakPolarHBondContact CE1-ND2 3.49Å; Y25-N29 WeakPolarHBondContact CE2-ND2 3.43Å; Y25-N29 WeakPolarHBondContact O-CB 3.34Å; Y25-N29 PolarHBondContact O-N 2.84Å; Y25-N29 PolarHBondContact O-ND2 3.47Å
30G50.5Low74.9Confident47 Ų4785 Ų8549%0.48544%0.444SS..SBendtrans96.5109.7169.300000113.9L28L28-G30 VanDerWaalsContact C-N 3.29Å; L28-G30 PolarHBondContact O-N 2.95Å
31E49.2Very low75.1Confident187 Ų18777.7 Ų77.787%0.87441%0.41SS*.THydrogen-bonded Turntrans6350.7152.7-56.8-174.9178.200118.1L33E31-L33 VanDerWaalsContact C-N 3.3Å; E31-L33 PolarHBondContact O-N 3.5Å
32G56.2Low75.2Confident60 Ų6077.2 Ų77.262%0.61941%0.405SS*.THydrogen-bonded Turntrans71.214.5147.500000117.1P34G32-P34 VanDerWaalsContact C-CD 3.43Å; G32-P34 WeakPolarHBondContact O-CD 3.44Å
33L68.1Low75.5Confident106 Ų10678.8 Ų78.856%0.55542%0.418SS*.  trans-114.985.2175.7-77.4159.1000111E31 K35 L36E31-L33 VanDerWaalsContact C-N 3.3Å; E31-L33 PolarHBondContact O-N 3.5Å; L33-K35 PolarHBondContact O-N 3.33Å; L33-L36 HydrophobicContact CB-CB 4.4Å; L33-L36 WeakPolarHBondContact O-CB 3.13Å; L33-L36 PolarHBondContact O-N 3.34Å
34P74.1Confident75.9Confident23 Ų2375.9 Ų75.915%0.14940%0.403CS..Hα-helixtrans-48.5-27.8167.5-28.434.7000113.3I26 G32 L36 A37 I38 I167 V171I26-P34 HydrophobicContact CD1-CB 4.33Å; I26-P34 HydrophobicContact CD1-CG 4.1Å; I26-P34 HydrophobicContact CG2-CG 4.14Å; G32-P34 VanDerWaalsContact C-CD 3.43Å; G32-P34 WeakPolarHBondContact O-CD 3.44Å; P34-L36 VanDerWaalsContact C-N 3.31Å; P34-L36 PolarHBondContact O-N 2.9Å; P34-A37 PolarHBondContact O-N 2.97Å; P34-I38 WeakPolarHBondContact O-CG1 3.37Å; P34-I38 PolarHBondContact O-N 3.17Å; P34-I167 HydrophobicContact CB-CG2 4Å; P34-V171 HydrophobicContact CB-CG2 3.13Å; P34-V171 HydrophobicContact CG-CG2 3.63Å
35K78.5Confident76.2Confident157 Ų15772.1 Ų72.168%0.68339%0.386SS*.Hα-helixtrans-56.5-39.5172.8-69.1-175.7177.3177.40113.1L33 I38 Q39L33-K35 PolarHBondContact O-N 3.33Å; K35-I38 PolarHBondContact O-N 3.23Å; K35-Q39 WeakPolarHBondContact O-CB 3.31Å; K35-Q39 PolarHBondContact O-N 3.35Å
36L80.8Confident76.8Confident79 Ų7975.1 Ų75.141%0.41440%0.402SS..Hα-helixtrans-71.1-37.9-179.9-156.1103.3000111.4L33 P34 Q39 R40L33-L36 HydrophobicContact CB-CB 4.4Å; L33-L36 WeakPolarHBondContact O-CB 3.13Å; L33-L36 PolarHBondContact O-N 3.34Å; P34-L36 VanDerWaalsContact C-N 3.31Å; P34-L36 PolarHBondContact O-N 2.9Å; L36-Q39 PolarHBondContact O-N 3.45Å; L36-R40 WeakPolarHBondContact O-CG 3.3Å; L36-R40 PolarHBondContact O-N 3.25Å
37A81Confident77.5Confident12 Ų1278.2 Ų78.210%0.09942%0.417CS..Hα-helixtrans-63-46.5173.700000111.1Y25 P34 Q39 R40 F41 I167Y25-A37 HydrophobicContact CE1-CB 4.2Å; P34-A37 PolarHBondContact O-N 2.97Å; A37-Q39 VanDerWaalsContact C-N 3.31Å; A37-Q39 PolarHBondContact O-N 3.27Å; A37-R40 PolarHBondContact O-N 2.86Å; A37-F41 WeakPolarHBondContact O-CD2 3.34Å; A37-F41 PolarHBondContact O-N 3.34Å; A37-I167 HydrophobicContact CB-CD1 4.38Å
38I83.1Confident78.3Confident20 Ų2073.4 Ų73.410%0.10339%0.387CS..Hα-helixtrans-57.2-46.3174.1-67.6165.9000110.4P34 K35 R40 F41 E42 V164 I167 R168P34-I38 WeakPolarHBondContact O-CG1 3.37Å; P34-I38 PolarHBondContact O-N 3.17Å; K35-I38 PolarHBondContact O-N 3.23Å; I38-R40 VanDerWaalsContact C-N 3.34Å; I38-R40 PolarHBondContact O-N 3.48Å; I38-F41 PolarHBondContact O-N 2.96Å; I38-F41 VanDerWaalsContact O-N 3.15Å; I38-E42 HydrophobicContact CG2-CG 4.19Å; I38-E42 WeakPolarHBondContact CG2-OE1 3.02Å; I38-E42 WeakPolarHBondContact O-CG 3.4Å; I38-E42 PolarHBondContact O-N 2.99Å; I38-V164 HydrophobicContact CG2-CG1 4.39Å; I38-I167 HydrophobicContact CD1-CG2 3.98Å; I38-I167 HydrophobicContact CG1-CB 4.33Å; I38-I167 HydrophobicContact CG1-CG2 3.75Å; I38-R168 HydrophobicContact CD1-CG 3.73Å; I38-R168 HydrophobicContact CG1-CG 4.47Å
39Q86.2Confident79.3Confident125 Ų12572.3 Ų72.358%0.58438%0.377SS*.Hα-helixtrans-61.5-39.3179.7-168.8179.66.900112.7K35 L36 A37 E42 S43K35-Q39 WeakPolarHBondContact O-CB 3.31Å; K35-Q39 PolarHBondContact O-N 3.35Å; L36-Q39 PolarHBondContact O-N 3.45Å; A37-Q39 VanDerWaalsContact C-N 3.31Å; A37-Q39 PolarHBondContact O-N 3.27Å; Q39-E42 PolarHBondContact O-N 3.47Å; Q39-S43 PolarHBondContact O-N 2.9Å
40R85.2Confident80.5Confident126 Ų12674.5 Ų74.548%0.47539%0.385SS..Hα-helixtrans-63.5-42.6174.3-73.1178.1-178.61773.5111.9L36 A37 I38 S43 T44L36-R40 WeakPolarHBondContact O-CG 3.3Å; L36-R40 PolarHBondContact O-N 3.25Å; A37-R40 PolarHBondContact O-N 2.86Å; I38-R40 VanDerWaalsContact C-N 3.34Å; I38-R40 PolarHBondContact O-N 3.48Å; R40-S43 PolarHBondContact O-N 3.41Å; R40-T44 PolarHBondContact O-N 3.38Å; R40-T44 PolarHBondContact O-OG1 3.17Å
41F87.1Confident82.5Confident18 Ų1872.4 Ų72.48%0.07936%0.363CS..Hα-helixtrans-67.6-39.5177.5-71.4-44.6000112.5I19 Y25 A37 I38 T44 M45 M160 V164 I167I19-F41 HydrophobicContact CD1-CE2 3.82Å; I19-F41 HydrophobicContact CD1-CZ 3.55Å; Y25-F41 HydrophobicContact CE1-CE2 4Å; Y25-F41 HydrophobicContact CE1-CZ 4.02Å; Y25-F41 AromaticContact CZ-CZ 3.72Å; Y25-F41 VanDerWaalsContact OH-CZ 3.24Å; Y25-F41 WeakPolarHBondContact OH-CZ 3.35Å; A37-F41 WeakPolarHBondContact O-CD2 3.34Å; A37-F41 PolarHBondContact O-N 3.34Å; I38-F41 PolarHBondContact O-N 2.96Å; I38-F41 VanDerWaalsContact O-N 3.15Å; F41-T44 PolarHBondContact O-N 2.96Å; F41-M45 VanDerWaalsContact O-CB 3.26Å; F41-M45 WeakPolarHBondContact O-CB 3.43Å; F41-M45 PolarHBondContact O-N 2.68Å; F41-M160 HydrophobicContact CB-CG 4.42Å; F41-M160 HydrophobicContact CB-SD 3.52Å; F41-M160 VanDerWaalsContact CB-SD 3.52Å; F41-M160 HydrophobicContact CD1-CE 3.78Å; F41-M160 HydrophobicContact CD1-SD 3.02Å; F41-M160 WeakPolarHBondContact CD1-SD 3.44Å; F41-M160 HydrophobicContact CE1-CE 4.39Å; F41-M160 HydrophobicContact CE1-SD 3.83Å; F41-M160 HydrophobicContact CG-SD 3.51Å; F41-M160 VanDerWaalsContact CG-SD 3.51Å; F41-V164 HydrophobicContact CB-CG2 3.48Å; F41-V164 VanDerWaalsContact CB-CG2 3.48Å; F41-V164 HydrophobicContact CD2-CG2 4.26Å; F41-V164 HydrophobicContact CG-CG2 4.15Å; F41-I167 HydrophobicContact CD2-CD1 3.83Å; F41-I167 HydrophobicContact CE2-CD1 3.38Å
42E87.2Confident84.6Confident80 Ų8064.7 Ų64.737%0.37433%0.327SS..Hα-helixtrans-61.2-45174.2-73.8173.8172.700111.4I38 Q39 T44 M45 E46 R168I38-E42 HydrophobicContact CG2-CG 4.19Å; I38-E42 WeakPolarHBondContact CG2-OE1 3.02Å; I38-E42 WeakPolarHBondContact O-CG 3.4Å; I38-E42 PolarHBondContact O-N 2.99Å; Q39-E42 PolarHBondContact O-N 3.47Å; E42-T44 PolarHBondContact O-N 3.32Å; E42-M45 PolarHBondContact O-N 2.69Å; E42-E46 PolarHBondContact O-N 3.02Å; E42-R168 IonicContact OE1-CZ 3.75Å; E42-R168 IonicContact OE1-NH2 3.99Å; E42-R168 PolarHBondContact OE1-NH2 2.91Å
43S88.9Confident86.4Confident57 Ų5766.1 Ų66.140%0.39932%0.318SS..Hα-helixtrans-63.4-40.2175.4179.90000112.8Q39 R40 M45 E46 Q47Q39-S43 PolarHBondContact O-N 2.9Å; R40-S43 PolarHBondContact O-N 3.41Å; S43-M45 VanDerWaalsContact C-N 3.34Å; S43-E46 WeakPolarHBondContact O-CB 3.4Å; S43-E46 PolarHBondContact O-N 3.31Å; S43-Q47 PolarHBondContact O-N 3.25Å
44T88.6Confident87.5Confident25 Ų2565 Ų6515%0.15331%0.306CS..Hα-helixtrans-67.9-38.1177.3-52.90000111.3P14 R40 F41 E42 E46 Q47 Y48 M160P14-T44 HydrophobicContact CG-CG2 3.52Å; R40-T44 PolarHBondContact O-N 3.38Å; R40-T44 PolarHBondContact O-OG1 3.17Å; F41-T44 PolarHBondContact O-N 2.96Å; E42-T44 PolarHBondContact O-N 3.32Å; T44-E46 VanDerWaalsContact C-N 3.3Å; T44-E46 PolarHBondContact O-N 3.47Å; T44-Q47 WeakPolarHBondContact O-CB 3.36Å; T44-Q47 PolarHBondContact O-N 3.2Å; T44-Y48 HydrophobicContact CG2-CD2 4.43Å; T44-Y48 HydrophobicContact CG2-CE1 4.36Å; T44-Y48 HydrophobicContact CG2-CE2 3.8Å; T44-Y48 PolarHBondContact O-N 2.76Å; T44-M160 HydrophobicContact CG2-CE 3.58Å
45M89.7Confident88.4Confident28 Ų2864.1 Ų64.114%0.13830%0.3CS..Hα-helixtrans-64.6-34.9176.8-173.4162.554.200112.2F41 E42 S43 Y48 K49 M160 E161F41-M45 VanDerWaalsContact O-CB 3.26Å; F41-M45 WeakPolarHBondContact O-CB 3.43Å; F41-M45 PolarHBondContact O-N 2.68Å; E42-M45 PolarHBondContact O-N 2.69Å; S43-M45 VanDerWaalsContact C-N 3.34Å; M45-Y48 PolarHBondContact O-N 3.28Å; M45-K49 WeakPolarHBondContact O-CG 3.48Å; M45-K49 PolarHBondContact O-N 3.29Å; M45-M160 HydrophobicContact CB-CG 4.16Å; M45-M160 HydrophobicContact SD-CG 4.49Å; M45-E161 HydrophobicContact SD-CG 3.82Å
46E91.1Very high89.2Confident121 Ų12161.2 Ų61.257%0.56529%0.285SS*.Hα-helixtrans-62.1-44.1172.2-167.8166.7-152.700111.5E42 S43 T44 Y48 K49 E50E42-E46 PolarHBondContact O-N 3.02Å; S43-E46 WeakPolarHBondContact O-CB 3.4Å; S43-E46 PolarHBondContact O-N 3.31Å; T44-E46 VanDerWaalsContact C-N 3.3Å; T44-E46 PolarHBondContact O-N 3.47Å; E46-Y48 PolarHBondContact O-N 3.44Å; E46-K49 PolarHBondContact O-N 2.84Å; E46-E50 WeakPolarHBondContact O-CG 3.26Å; E46-E50 PolarHBondContact O-N 3.06Å
47Q91Very high89.9Confident82 Ų8262.8 Ų62.838%0.38329%0.29SS..Hα-helixtrans-61.7-40.7176.1-63.9171.826.500112.7L13 S43 T44 C51L13-Q47 HydrophobicContact CD2-CB 4.27Å; S43-Q47 PolarHBondContact O-N 3.25Å; T44-Q47 WeakPolarHBondContact O-CB 3.36Å; T44-Q47 PolarHBondContact O-N 3.2Å; Q47-C51 WeakPolarHBondContact O-CB 3.38Å; Q47-C51 PolarHBondContact O-N 3.3Å
48Y91.9Very high90.5Very high0 Ų063.2 Ų63.20%029%0.29CS..Hα-helixtrans-63.3-43.8175.1-65.2-37.7000111.8L13 P14 T44 M45 E46 C51 E52 L153 Q156 I157 M160L13-Y48 HydrophobicContact CB-CE1 4.13Å; L13-Y48 HydrophobicContact CD1-CD1 4.17Å; L13-Y48 HydrophobicContact CD2-CD1 4.05Å; L13-Y48 HydrophobicContact CD2-CE1 4.32Å; L13-Y48 HydrophobicContact CG-CD1 4.5Å; P14-Y48 WeakPolarHBondContact O-CE1 3.49Å; P14-Y48 PolarHBondContact O-OH 3.03Å; T44-Y48 HydrophobicContact CG2-CD2 4.43Å; T44-Y48 HydrophobicContact CG2-CE1 4.36Å; T44-Y48 HydrophobicContact CG2-CE2 3.8Å; T44-Y48 PolarHBondContact O-N 2.76Å; M45-Y48 PolarHBondContact O-N 3.28Å; E46-Y48 PolarHBondContact O-N 3.44Å; Y48-C51 PolarHBondContact O-N 2.8Å; Y48-E52 WeakPolarHBondContact O-CB 3.33Å; Y48-E52 PolarHBondContact O-N 3.37Å; Y48-L153 HydrophobicContact CD1-CD2 4Å; Y48-Q156 HydrophobicContact CD2-CB 4.31Å; Y48-Q156 HydrophobicContact CE1-CB 4.27Å; Y48-Q156 HydrophobicContact CE2-CB 3.91Å; Y48-I157 HydrophobicContact CD2-CG1 4.12Å; Y48-I157 HydrophobicContact CG-CG1 4.31Å; Y48-M160 HydrophobicContact CE2-CE 3.67Å
49K91.2Very high91.1Very high102 Ų10266.1 Ų66.144%0.44330%0.3SS..Hα-helixtrans-62.2-46.7178.6-74.1175.4-179.8179.40111.7M45 E46 C51 E52 E53M45-K49 WeakPolarHBondContact O-CG 3.48Å; M45-K49 PolarHBondContact O-N 3.29Å; E46-K49 PolarHBondContact O-N 2.84Å; K49-C51 VanDerWaalsContact C-N 3.27Å; K49-C51 PolarHBondContact O-N 3.16Å; K49-E52 PolarHBondContact O-N 3.42Å; K49-E53 PolarHBondContact O-N 2.99Å
50E91.7Very high91.6Very high109 Ų10962.9 Ų62.951%0.50929%0.294SS..Hα-helixtrans-59-40.5174.4-71.9-177.1177.100111.9E46 R54E46-E50 WeakPolarHBondContact O-CG 3.26Å; E46-E50 PolarHBondContact O-N 3.06Å; E50-R54 WeakPolarHBondContact O-CG 3.43Å; E50-R54 PolarHBondContact O-N 3.47Å
51C92.6Very high92.1Very high4 Ų462.5 Ų62.53%0.02729%0.293CS..Hα-helixtrans-67.1-41.3176.7-1600000112.1L13 Q47 Y48 K49 R54 L55 L153L13-C51 HydrophobicContact CD1-CB 3.93Å; Q47-C51 WeakPolarHBondContact O-CB 3.38Å; Q47-C51 PolarHBondContact O-N 3.3Å; Y48-C51 PolarHBondContact O-N 2.8Å; K49-C51 VanDerWaalsContact C-N 3.27Å; K49-C51 PolarHBondContact O-N 3.16Å; C51-R54 PolarHBondContact O-N 3.47Å; C51-L55 WeakPolarHBondContact O-CG 3.35Å; C51-L55 PolarHBondContact O-N 2.88Å; C51-L153 HydrophobicContact CB-CD1 4.13Å
52E92.1Very high92.5Very high25 Ų2562.9 Ų62.912%0.11730%0.296CS..Hα-helixtrans-61-46.3178.4-165.2-164.2174.900111.1Y48 K49 R54 L55 R56 L153Y48-E52 WeakPolarHBondContact O-CB 3.33Å; Y48-E52 PolarHBondContact O-N 3.37Å; K49-E52 PolarHBondContact O-N 3.42Å; E52-R54 PolarHBondContact O-N 3.26Å; E52-L55 PolarHBondContact O-N 3.22Å; E52-R56 WeakPolarHBondContact O-CB 3.44Å; E52-R56 PolarHBondContact O-N 2.97Å; E52-R56 IonicContact OE1-CZ 3.57Å; E52-R56 IonicContact OE1-NH2 2.9Å; E52-R56 PolarHBondContact OE1-NH2 2.96Å; E52-R56 IonicContact OE2-NH2 3.3Å; E52-L153 HydrophobicContact CB-CD1 4Å; E52-L153 HydrophobicContact CG-CD1 4.46Å
53E93.5Very high93Very high90 Ų9061.7 Ų61.742%0.42129%0.291SS..Hα-helixtrans-59.9-45.6177.5-70-54.5150.800111.6K49 L55 R56 E57K49-E53 PolarHBondContact O-N 2.99Å; E53-L55 PolarHBondContact O-N 3.4Å; E53-R56 WeakPolarHBondContact O-CB 3.45Å; E53-R56 PolarHBondContact O-N 3.44Å; E53-R56 VanDerWaalsContact O-N 3.13Å; E53-R56 IonicContact OE1-CZ 3.78Å; E53-R56 IonicContact OE1-NH1 2.68Å; E53-R56 PolarHBondContact OE1-NH1 3.33Å; E53-R56 IonicContact OE1-NH2 3.09Å; E53-R56 IonicContact OE2-CZ 3.99Å; E53-R56 IonicContact OE2-NH1 3.11Å; E53-R56 PolarHBondContact OE2-NH1 3.46Å; E53-E57 WeakPolarHBondContact O-CG 3.5Å; E53-E57 PolarHBondContact O-N 3.17Å
54R92.6Very high93.3Very high82 Ų8263.6 Ų63.631%0.30930%0.296SS..Hα-helixtrans-59.1-45.3176.3-72.8-175.1-57.5-143.10.6112.5E50 C51 E52 R56 E57 H58E50-R54 WeakPolarHBondContact O-CG 3.43Å; E50-R54 PolarHBondContact O-N 3.47Å; C51-R54 PolarHBondContact O-N 3.47Å; E52-R54 PolarHBondContact O-N 3.26Å; R54-R56 VanDerWaalsContact C-N 3.28Å; R54-R56 PolarHBondContact O-N 3.23Å; R54-E57 PolarHBondContact O-N 2.53Å; R54-H58 WeakPolarHBondContact O-CB 3.38Å; R54-H58 PolarHBondContact O-N 3.42Å
55L93.5Very high93.6Very high4 Ų466.4 Ų66.42%0.02130%0.304CS..Hα-helixtrans-64.4-36.7177.7-65.9-176.2000111.3F10 C51 E52 E53 H58 R59 L146 R149 M150 L153F10-L55 HydrophobicContact CD2-CD1 4.03Å; F10-L55 HydrophobicContact CE2-CD1 4.07Å; C51-L55 WeakPolarHBondContact O-CG 3.35Å; C51-L55 PolarHBondContact O-N 2.88Å; E52-L55 PolarHBondContact O-N 3.22Å; E53-L55 PolarHBondContact O-N 3.4Å; L55-H58 PolarHBondContact O-N 3.47Å; L55-R59 WeakPolarHBondContact O-CB 3.38Å; L55-R59 PolarHBondContact O-N 3.39Å; L55-L146 HydrophobicContact CD2-CD2 3.72Å; L55-R149 HydrophobicContact CD1-CB 3.77Å; L55-M150 HydrophobicContact CB-CG 3.93Å; L55-M150 HydrophobicContact CB-SD 4.48Å; L55-M150 HydrophobicContact CD1-CG 4.19Å; L55-L153 HydrophobicContact CD1-CD1 3.67Å
56R94.7Very high93.8Very high96 Ų9668.7 Ų68.736%0.36231%0.313SS..Hα-helixtrans-65.6-44.2177.3-165.6-178.1-65.6143.2-1.3111.7E52 E53 R54 R59 A60 M150E52-R56 WeakPolarHBondContact O-CB 3.44Å; E52-R56 PolarHBondContact O-N 2.97Å; E52-R56 IonicContact OE1-CZ 3.57Å; E52-R56 IonicContact OE1-NH2 2.9Å; E52-R56 PolarHBondContact OE1-NH2 2.96Å; E52-R56 IonicContact OE2-NH2 3.3Å; E53-R56 WeakPolarHBondContact O-CB 3.45Å; E53-R56 PolarHBondContact O-N 3.44Å; E53-R56 VanDerWaalsContact O-N 3.13Å; E53-R56 IonicContact OE1-CZ 3.78Å; E53-R56 IonicContact OE1-NH1 2.68Å; E53-R56 PolarHBondContact OE1-NH1 3.33Å; E53-R56 IonicContact OE1-NH2 3.09Å; E53-R56 IonicContact OE2-CZ 3.99Å; E53-R56 IonicContact OE2-NH1 3.11Å; E53-R56 PolarHBondContact OE2-NH1 3.46Å; R54-R56 VanDerWaalsContact C-N 3.28Å; R54-R56 PolarHBondContact O-N 3.23Å; R56-R59 PolarHBondContact O-N 2.93Å; R56-A60 PolarHBondContact O-N 2.91Å; R56-M150 HydrophobicContact CB-CE 4.07Å; R56-M150 HydrophobicContact CG-CE 4.21Å
57E95.2Very high94Very high113 Ų11368.5 Ų68.553%0.52831%0.312SS..Hα-helixtrans-62.5-44.3174.2-71.1179.7176.700111.9E53 R54 A60 R61E53-E57 WeakPolarHBondContact O-CG 3.5Å; E53-E57 PolarHBondContact O-N 3.17Å; R54-E57 PolarHBondContact O-N 2.53Å; E57-A60 PolarHBondContact O-N 3.38Å; E57-R61 PolarHBondContact O-N 3.4Å
58H94.5Very high94.2Very high21 Ų2168.7 Ų68.710%0.09731%0.313CS..Hα-helixtrans-62.2-44.8176.7-169.2172.4000111.1E6 R54 L55 A60 R61 L62 L146E6-H58 IonicContact OE1-ND1 2.76Å; E6-H58 PolarHBondContact OE1-ND1 2.92Å; E6-H58 IonicContact OE2-CE1 3.82Å; E6-H58 PolarHBondContact OE2-CE1 3.29Å; E6-H58 IonicContact OE2-CG 2.8Å; E6-H58 IonicContact OE2-ND1 3.96Å; E6-H58 PolarHBondContact OE2-ND1 3.48Å; R54-H58 WeakPolarHBondContact O-CB 3.38Å; R54-H58 PolarHBondContact O-N 3.42Å; L55-H58 PolarHBondContact O-N 3.47Å; H58-A60 VanDerWaalsContact C-N 3.3Å; H58-A60 PolarHBondContact O-N 2.91Å; H58-R61 PolarHBondContact O-N 2.93Å; H58-L62 PolarHBondContact O-N 3.36Å; H58-L146 HydrophobicContact CB-CD1 4.44Å
59R95.5Very high94.3Very high81 Ų8168.7 Ų68.731%0.30631%0.313SS..Hα-helixtrans-56.6-44.4174.7-175176.9178.3-83.50.4111.5L55 R56 R61 L62 I63 L143 L146 E147L55-R59 WeakPolarHBondContact O-CB 3.38Å; L55-R59 PolarHBondContact O-N 3.39Å; R56-R59 PolarHBondContact O-N 2.93Å; R59-R61 PolarHBondContact O-N 3.37Å; R59-L62 PolarHBondContact O-N 2.79Å; R59-I63 HydrophobicContact CG-CD1 4.08Å; R59-I63 WeakPolarHBondContact O-CG1 3.39Å; R59-I63 PolarHBondContact O-N 3.28Å; R59-L143 HydrophobicContact CG-CD2 3.81Å; R59-L146 HydrophobicContact CB-CD1 4.24Å; R59-E147 IonicContact CZ-OE1 3.44Å; R59-E147 IonicContact NE-OE1 3.24Å; R59-E147 PolarHBondContact NE-OE1 2.97Å; R59-E147 IonicContact NH2-OE1 2.76Å; R59-E147 PolarHBondContact NH2-OE1 3.09Å
60A96.3Very high94.4Very high57 Ų5766 Ų6647%0.47131%0.31SS..Hα-helixtrans-60.9-44177.900000112.5R56 E57 H58 L62 I63 L64R56-A60 PolarHBondContact O-N 2.91Å; E57-A60 PolarHBondContact O-N 3.38Å; H58-A60 VanDerWaalsContact C-N 3.3Å; H58-A60 PolarHBondContact O-N 2.91Å; A60-L62 VanDerWaalsContact C-N 3.34Å; A60-L62 PolarHBondContact O-N 2.95Å; A60-I63 PolarHBondContact O-N 3.46Å; A60-L64 PolarHBondContact O-N 3.23Å; A60-L64 VanDerWaalsContact O-N 3.1Å
61R96Very high94.5Very high118 Ų11865 Ų6545%0.44531%0.311SS..Hα-helixtrans-60.2-42.1175.5-69.2-170.6-64-89.65.2112.3E57 H58 R59 L64 R65E57-R61 PolarHBondContact O-N 3.4Å; H58-R61 PolarHBondContact O-N 2.93Å; R59-R61 PolarHBondContact O-N 3.37Å; R61-L64 PolarHBondContact O-N 2.92Å; R61-R65 WeakPolarHBondContact O-CB 3.21Å; R61-R65 PolarHBondContact O-N 3.07Å
62L95.7Very high94.5Very high26 Ų2666.9 Ų66.914%0.13633%0.325CS..Hα-helixtrans-69.3-35.3179.2-72.2178.5000113H58 R59 A60 R65 K66 I139 K142 L143 L146H58-L62 PolarHBondContact O-N 3.36Å; R59-L62 PolarHBondContact O-N 2.79Å; A60-L62 VanDerWaalsContact C-N 3.34Å; A60-L62 PolarHBondContact O-N 2.95Å; L62-R65 PolarHBondContact O-N 3.43Å; L62-K66 WeakPolarHBondContact O-CB 3.3Å; L62-K66 PolarHBondContact O-N 3.41Å; L62-I139 HydrophobicContact CB-CG2 4.19Å; L62-I139 HydrophobicContact CD2-CG1 4.41Å; L62-I139 HydrophobicContact CD2-CG2 4.39Å; L62-K142 HydrophobicContact CD1-CB 4.16Å; L62-K142 HydrophobicContact CD1-CG 3.78Å; L62-L143 HydrophobicContact CB-CD2 3.74Å; L62-L143 HydrophobicContact CB-CG 4.16Å; L62-L143 HydrophobicContact CD1-CD2 4.35Å; L62-L146 HydrophobicContact CD1-CD1 3.62Å
63I96.4Very high94.6Very high54 Ų5467.2 Ų67.228%0.27733%0.327SS..Hα-helixtrans-62.8-49.4173.9-70.9168.6000110.2R59 A60 R65 K66 E67 L143R59-I63 HydrophobicContact CG-CD1 4.08Å; R59-I63 WeakPolarHBondContact O-CG1 3.39Å; R59-I63 PolarHBondContact O-N 3.28Å; A60-I63 PolarHBondContact O-N 3.46Å; I63-R65 VanDerWaalsContact C-N 3.32Å; I63-R65 PolarHBondContact O-N 2.97Å; I63-K66 WeakPolarHBondContact O-CB 3.44Å; I63-K66 PolarHBondContact O-N 3Å; I63-K66 VanDerWaalsContact O-N 3.12Å; I63-E67 PolarHBondContact O-N 3.2Å; I63-E67 VanDerWaalsContact O-N 3.09Å; I63-L143 HydrophobicContact CG1-CD1 4.42Å; I63-L143 HydrophobicContact CG1-CD2 3.99Å
64L96.1Very high94.6Very high98 Ų9869.9 Ų69.951%0.51334%0.337SS..Hα-helixtrans-57.8-47.1177.2-179.465.8000111A60 R61 K66 E67 E68A60-L64 PolarHBondContact O-N 3.23Å; A60-L64 VanDerWaalsContact O-N 3.1Å; R61-L64 PolarHBondContact O-N 2.92Å; L64-K66 VanDerWaalsContact C-N 3.27Å; L64-K66 PolarHBondContact O-N 3.36Å; L64-E67 WeakPolarHBondContact O-CB 3.31Å; L64-E67 PolarHBondContact O-N 3.06Å; L64-E67 VanDerWaalsContact O-N 3.09Å; L64-E68 WeakPolarHBondContact O-CG 3.49Å; L64-E68 PolarHBondContact O-N 2.82Å
65R93.9Very high94.6Very high83 Ų8369.3 Ų69.331%0.31334%0.34SS..Hα-helixtrans-58.6-38.8177.3-178.660.2-177.71613.4112.6R61 L62 I63 E67 E68 I69 E135 I139R61-R65 WeakPolarHBondContact O-CB 3.21Å; R61-R65 PolarHBondContact O-N 3.07Å; L62-R65 PolarHBondContact O-N 3.43Å; I63-R65 VanDerWaalsContact C-N 3.32Å; I63-R65 PolarHBondContact O-N 2.97Å; R65-E67 VanDerWaalsContact C-N 3.34Å; R65-E68 WeakPolarHBondContact CD-OE2 3.49Å; R65-E68 IonicContact NH1-OE2 3.25Å; R65-E68 PolarHBondContact NH1-OE2 3.41Å; R65-E68 WeakPolarHBondContact O-CB 3.24Å; R65-E68 PolarHBondContact O-N 3.23Å; R65-I69 HydrophobicContact CG-CD1 4.13Å; R65-I69 WeakPolarHBondContact O-CG1 3.45Å; R65-I69 PolarHBondContact O-N 3.42Å; R65-E135 IonicContact CZ-OE1 3.54Å; R65-E135 IonicContact NE-OE1 3.91Å; R65-E135 PolarHBondContact NE-OE1 3.32Å; R65-E135 VanDerWaalsContact NE-OE1 3.09Å; R65-E135 IonicContact NH2-OE1 2.62Å; R65-E135 PolarHBondContact NH2-OE1 3.18Å; R65-E135 IonicContact NH2-OE2 3.33Å; R65-E135 PolarHBondContact NH2-OE2 3.2Å; R65-I139 HydrophobicContact CB-CD1 4.39Å; R65-I139 HydrophobicContact CG-CD1 3.64Å
66K94.5Very high94.6Very high76 Ų7669.4 Ų69.433%0.3334%0.341SS..Hα-helixtrans-63.8-40.1176.6-173.9172.3174.7166.90111.7L62 I63 L64 I69 A70 I139 T140 L143L62-K66 WeakPolarHBondContact O-CB 3.3Å; L62-K66 PolarHBondContact O-N 3.41Å; I63-K66 WeakPolarHBondContact O-CB 3.44Å; I63-K66 PolarHBondContact O-N 3Å; I63-K66 VanDerWaalsContact O-N 3.12Å; L64-K66 VanDerWaalsContact C-N 3.27Å; L64-K66 PolarHBondContact O-N 3.36Å; K66-I69 PolarHBondContact O-N 2.68Å; K66-A70 PolarHBondContact O-N 2.67Å; K66-I139 HydrophobicContact CB-CG2 4.1Å; K66-T140 PolarHBondContact NZ-OG1 2.96Å; K66-L143 HydrophobicContact CD-CD1 4.16Å
67E95.9Very high94.5Very high118 Ų11867.9 Ų67.955%0.55134%0.34SS*.Hα-helixtrans-68-39176.5-67178.9170.400112.5I63 L64 R65 A70 T71I63-E67 PolarHBondContact O-N 3.2Å; I63-E67 VanDerWaalsContact O-N 3.09Å; L64-E67 WeakPolarHBondContact O-CB 3.31Å; L64-E67 PolarHBondContact O-N 3.06Å; L64-E67 VanDerWaalsContact O-N 3.09Å; R65-E67 VanDerWaalsContact C-N 3.34Å; E67-A70 PolarHBondContact O-N 2.99Å; E67-T71 PolarHBondContact O-N 3.03Å; E67-T71 PolarHBondContact O-OG1 2.92Å
68E93.5Very high94.4Very high85 Ų8566.5 Ų66.540%0.39734%0.336SS..Hα-helixtrans-58.5-49.6172.8-70.4173.4176.500111.2L64 R65 A70 T71 S72L64-E68 WeakPolarHBondContact O-CG 3.49Å; L64-E68 PolarHBondContact O-N 2.82Å; R65-E68 WeakPolarHBondContact CD-OE2 3.49Å; R65-E68 IonicContact NH1-OE2 3.25Å; R65-E68 PolarHBondContact NH1-OE2 3.41Å; R65-E68 WeakPolarHBondContact O-CB 3.24Å; R65-E68 PolarHBondContact O-N 3.23Å; E68-A70 VanDerWaalsContact C-N 3.32Å; E68-A70 PolarHBondContact O-N 2.62Å; E68-T71 CarbonylContact O-C 3.6Å; E68-T71 WeakPolarHBondContact O-CA 3.49Å; E68-T71 WeakPolarHBondContact O-CB 3.36Å; E68-T71 PolarHBondContact O-N 3.43Å; E68-S72 PolarHBondContact O-N 3.19Å; E68-S72 PolarHBondContact O-OG 3.41Å
69I94.3Very high94.3Very high1 Ų166.4 Ų66.41%0.00534%0.336CS..Hα-helixtrans-61.1-42178.9-68.5163.5000111.1R65 K66 T71 S72 L73 L132 E135 T136 I139R65-I69 HydrophobicContact CG-CD1 4.13Å; R65-I69 WeakPolarHBondContact O-CG1 3.45Å; R65-I69 PolarHBondContact O-N 3.42Å; K66-I69 PolarHBondContact O-N 2.68Å; I69-T71 PolarHBondContact O-N 3.4Å; I69-S72 PolarHBondContact O-N 2.99Å; I69-S72 VanDerWaalsContact O-N 3.17Å; I69-L73 HydrophobicContact CG2-CD1 4.36Å; I69-L73 WeakPolarHBondContact O-CG 3.48Å; I69-L73 PolarHBondContact O-N 3.48Å; I69-L132 HydrophobicContact CG1-CD2 4.44Å; I69-L132 HydrophobicContact CG2-CB 3.96Å; I69-L132 HydrophobicContact CG2-CD2 4.03Å; I69-E135 HydrophobicContact CD1-CB 4.22Å; I69-E135 VanDerWaalsContact CD1-CD 3.48Å; I69-E135 HydrophobicContact CD1-CG 3.75Å; I69-T136 VanDerWaalsContact CG2-OG1 3.24Å; I69-T136 WeakPolarHBondContact CG2-OG1 3.45Å; I69-I139 HydrophobicContact CD1-CD1 3.38Å
70A94.7Very high94.3Very high44 Ų4464.7 Ų64.736%0.36433%0.331SS..Hα-helixtrans-61-34.4175.500000112.1K66 E67 E68 K74K66-A70 PolarHBondContact O-N 2.67Å; E67-A70 PolarHBondContact O-N 2.99Å; E68-A70 VanDerWaalsContact C-N 3.32Å; E68-A70 PolarHBondContact O-N 2.62Å; A70-K74 WeakPolarHBondContact O-CG 3.38Å; A70-K74 PolarHBondContact O-N 2.93Å
71T93.3Very high94.1Very high88 Ų8868.2 Ų68.254%0.5434%0.336SS..Hα-helixtrans-71.9-40.9174.8-55.40000111.4E67 E68 I69 L73 K74 L75E67-T71 PolarHBondContact O-N 3.03Å; E67-T71 PolarHBondContact O-OG1 2.92Å; E68-T71 CarbonylContact O-C 3.6Å; E68-T71 WeakPolarHBondContact O-CA 3.49Å; E68-T71 WeakPolarHBondContact O-CB 3.36Å; E68-T71 PolarHBondContact O-N 3.43Å; I69-T71 PolarHBondContact O-N 3.4Å; T71-L73 VanDerWaalsContact C-N 3.33Å; T71-L73 PolarHBondContact O-N 2.86Å; T71-K74 PolarHBondContact O-N 3.26Å; T71-L75 PolarHBondContact O-N 3.37Å
72S92.9Very high93.9Very high45 Ų4563 Ų6332%0.31532%0.318SS..Hα-helixtrans-61.6-39174.8-58.60000112.6E68 I69 L75 C76E68-S72 PolarHBondContact O-N 3.19Å; E68-S72 PolarHBondContact O-OG 3.41Å; I69-S72 PolarHBondContact O-N 2.99Å; I69-S72 VanDerWaalsContact O-N 3.17Å; S72-L75 WeakPolarHBondContact O-CB 3.34Å; S72-L75 PolarHBondContact O-N 3.16Å; S72-C76 PolarHBondContact O-N 2.94Å; S72-C76 PolarHBondContact O-SG 3.05Å
73L94.1Very high93.7Very high32 Ų3262.7 Ų62.717%0.16832%0.322CS..Hα-helixtrans-61.3-47.1174.4-76.3169.3000111.5I69 T71 L75 C76 D77 R129 L132I69-L73 HydrophobicContact CG2-CD1 4.36Å; I69-L73 WeakPolarHBondContact O-CG 3.48Å; I69-L73 PolarHBondContact O-N 3.48Å; T71-L73 VanDerWaalsContact C-N 3.33Å; T71-L73 PolarHBondContact O-N 2.86Å; L73-L75 PolarHBondContact O-N 3.47Å; L73-C76 WeakPolarHBondContact O-CB 3.47Å; L73-C76 PolarHBondContact O-N 3.47Å; L73-C76 VanDerWaalsContact O-N 3.12Å; L73-D77 PolarHBondContact O-N 3.28Å; L73-R129 HydrophobicContact CD2-CB 4.39Å; L73-R129 HydrophobicContact CD2-CG 3.99Å; L73-L132 HydrophobicContact CD2-CB 3.76Å; L73-L132 HydrophobicContact CD2-CD1 3.9Å; L73-L132 HydrophobicContact CG-CB 4.06Å; L73-L132 HydrophobicContact CG-CD1 4.11Å
74K93.8Very high93.5Very high145 Ų14567.3 Ų67.363%0.6334%0.342SS*.Hα-helixtrans-59.5-36.6175.4-69.1172-174.3174.40112.3A70 T71 L78A70-K74 WeakPolarHBondContact O-CG 3.38Å; A70-K74 PolarHBondContact O-N 2.93Å; T71-K74 PolarHBondContact O-N 3.26Å; K74-L78 WeakPolarHBondContact O-CB 3.44Å; K74-L78 PolarHBondContact O-N 3.4Å
75L92.1Very high93.4Very high71 Ų7168.6 Ų68.637%0.37235%0.345SS..Hα-helixtrans-66.5-41.8176.2179.761.2000111.5T71 S72 L73 D77 L78 L79 M91T71-L75 PolarHBondContact O-N 3.37Å; S72-L75 WeakPolarHBondContact O-CB 3.34Å; S72-L75 PolarHBondContact O-N 3.16Å; L73-L75 PolarHBondContact O-N 3.47Å; L75-D77 VanDerWaalsContact C-N 3.35Å; L75-D77 PolarHBondContact O-N 3.02Å; L75-L78 PolarHBondContact O-N 2.75Å; L75-L79 HydrophobicContact CD1-CD1 3.99Å; L75-L79 HydrophobicContact CD1-CG 3.97Å; L75-L79 HydrophobicContact CG-CD1 3.94Å; L75-L79 HydrophobicContact CG-CG 4.33Å; L75-L79 WeakPolarHBondContact O-CB 3.23Å; L75-L79 WeakPolarHBondContact O-CG 3.43Å; L75-L79 PolarHBondContact O-N 3.01Å; L75-M91 HydrophobicContact CD1-CE 3.65Å; L75-M91 HydrophobicContact CD1-SD 4.2Å
76C93.4Very high93.2Very high6 Ų669.5 Ų69.54%0.04136%0.363CS..Hα-helixtrans-58.2-48.8174.8-640000110.6S72 L73 L78 L79 E80 F125S72-C76 PolarHBondContact O-N 2.94Å; S72-C76 PolarHBondContact O-SG 3.05Å; L73-C76 WeakPolarHBondContact O-CB 3.47Å; L73-C76 PolarHBondContact O-N 3.47Å; L73-C76 VanDerWaalsContact O-N 3.12Å; C76-L78 VanDerWaalsContact C-N 3.29Å; C76-L78 PolarHBondContact O-N 2.67Å; C76-L79 PolarHBondContact O-N 3.4Å; C76-E80 WeakPolarHBondContact O-CB 3.38Å; C76-E80 PolarHBondContact O-N 2.96Å; C76-F125 HydrophobicContact CB-CD1 4.06Å
77D92.8Very high93.1Very high63 Ų6373.4 Ų73.434%0.33738%0.376SS..Hα-helixtrans-63-34.9179.5-62.6-26.9000112.7L73 L75 K81 R129L73-D77 PolarHBondContact O-N 3.28Å; L75-D77 VanDerWaalsContact C-N 3.35Å; L75-D77 PolarHBondContact O-N 3.02Å; D77-K81 WeakPolarHBondContact O-CB 3.35Å; D77-K81 VanDerWaalsContact O-CG 3.31Å; D77-K81 WeakPolarHBondContact O-CG 3.49Å; D77-K81 PolarHBondContact O-N 2.89Å; D77-R129 IonicContact OD1-NH1 3.04Å; D77-R129 PolarHBondContact OD1-NH1 3.42Å
78L93Very high92.9Very high85 Ų8572.9 Ų72.945%0.44537%0.373SS..Hα-helixtrans-69.6-45.4177.1-175.4153.1000111.6K74 L75 C76 A82 V89K74-L78 WeakPolarHBondContact O-CB 3.44Å; K74-L78 PolarHBondContact O-N 3.4Å; L75-L78 PolarHBondContact O-N 2.75Å; C76-L78 VanDerWaalsContact C-N 3.29Å; C76-L78 PolarHBondContact O-N 2.67Å; L78-A82 WeakPolarHBondContact O-CB 3.4Å; L78-A82 PolarHBondContact O-N 3.26Å; L78-A82 VanDerWaalsContact O-N 3.1Å; L78-V89 HydrophobicContact CD2-CB 4.41Å; L78-V89 HydrophobicContact CD2-CG1 3.58Å; L78-V89 HydrophobicContact CD2-CG2 4Å
79L93.3Very high92.9Very high18 Ų1869.9 Ų69.99%0.09436%0.361CS..Hα-helixtrans-69.6-38.5-179-69.7175.6000111.7L75 C76 A82 G83 V89 V105 V111 F125L75-L79 HydrophobicContact CD1-CD1 3.99Å; L75-L79 HydrophobicContact CD1-CG 3.97Å; L75-L79 HydrophobicContact CG-CD1 3.94Å; L75-L79 HydrophobicContact CG-CG 4.33Å; L75-L79 WeakPolarHBondContact O-CB 3.23Å; L75-L79 WeakPolarHBondContact O-CG 3.43Å; L75-L79 PolarHBondContact O-N 3.01Å; C76-L79 PolarHBondContact O-N 3.4Å; L79-A82 PolarHBondContact O-N 3.45Å; L79-G83 PolarHBondContact O-N 2.74Å; L79-V89 HydrophobicContact CD2-CG2 4.3Å; L79-V105 HydrophobicContact CD2-CG1 4.15Å; L79-V111 HydrophobicContact CD1-CG1 4.34Å; L79-F125 HydrophobicContact CB-CE1 3.77Å; L79-F125 HydrophobicContact CB-CZ 3.7Å
80E93.7Very high92.8Very high46 Ų4680 Ų8022%0.21540%0.399CS..Hα-helixtrans-62.5-49.5176.7-174.3178.5-128.700111.4C76 A82 G83 E84 F125 R129C76-E80 WeakPolarHBondContact O-CB 3.38Å; C76-E80 PolarHBondContact O-N 2.96Å; E80-A82 VanDerWaalsContact C-N 3.3Å; E80-A82 PolarHBondContact O-N 3.45Å; E80-G83 CarbonylContact O-C 3.57Å; E80-G83 VanDerWaalsContact O-CA 3.28Å; E80-G83 WeakPolarHBondContact O-CA 3.5Å; E80-G83 PolarHBondContact O-N 3.27Å; E80-E84 PolarHBondContact O-N 3.05Å; E80-F125 HydrophobicContact CB-CD1 4.44Å; E80-F125 HydrophobicContact CB-CD2 3.72Å; E80-F125 HydrophobicContact CB-CE2 3.85Å; E80-F125 HydrophobicContact CB-CG 4.03Å; E80-F125 HydrophobicContact CB-CZ 4.29Å; E80-F125 HydrophobicContact CG-CD2 3.82Å; E80-F125 HydrophobicContact CG-CE2 4.25Å; E80-F125 HydrophobicContact CG-CG 4.34Å; E80-R129 VanDerWaalsContact CD-NH2 3.29Å; E80-R129 IonicContact OE1-CZ 3.69Å; E80-R129 IonicContact OE1-NH1 3.82Å; E80-R129 IonicContact OE1-NH2 2.75Å; E80-R129 PolarHBondContact OE1-NH2 3.36Å; E80-R129 IonicContact OE2-CZ 3.28Å; E80-R129 VanDerWaalsContact OE2-CZ 3.28Å; E80-R129 IonicContact OE2-NH1 2.65Å; E80-R129 PolarHBondContact OE2-NH1 2.9Å; E80-R129 IonicContact OE2-NH2 3.06Å; E80-R129 PolarHBondContact OE2-NH2 3.13Å
81K93.1Very high92.7Very high130 Ų13080.3 Ų80.357%0.56539%0.393SS*.Hα-helixtrans-59.2-40.7175.4-75176.4-179176.90112.6D77 G83 E84 E85D77-K81 WeakPolarHBondContact O-CB 3.35Å; D77-K81 VanDerWaalsContact O-CG 3.31Å; D77-K81 WeakPolarHBondContact O-CG 3.49Å; D77-K81 PolarHBondContact O-N 2.89Å; K81-G83 VanDerWaalsContact C-N 3.25Å; K81-G83 PolarHBondContact O-N 2.94Å; K81-E84 PolarHBondContact O-N 3.15Å; K81-E85 WeakPolarHBondContact O-CG 3.5Å; K81-E85 PolarHBondContact O-N 2.97Å
82A92.2Very high92.6Very high9 Ų981 Ų817%0.07439%0.391CS..Hα-helixtrans-65.7-32.7175.100000112L78 L79 E80 E85 C86 R87 V89L78-A82 WeakPolarHBondContact O-CB 3.4Å; L78-A82 PolarHBondContact O-N 3.26Å; L78-A82 VanDerWaalsContact O-N 3.1Å; L79-A82 PolarHBondContact O-N 3.45Å; E80-A82 VanDerWaalsContact C-N 3.3Å; E80-A82 PolarHBondContact O-N 3.45Å; A82-E85 PolarHBondContact O-N 3.19Å; A82-C86 PolarHBondContact O-N 2.8Å; A82-C86 VanDerWaalsContact O-N 3.14Å; A82-R87 PolarHBondContact O-N 3.32Å; A82-V89 HydrophobicContact CB-CG2 3.19Å
83G91.7Very high92.6Very high20 Ų2082.9 Ų82.921%0.20639%0.393CS..Hα-helixtrans-59.2-51.4169.900000112.3L79 E80 K81 E85 C86L79-G83 PolarHBondContact O-N 2.74Å; E80-G83 CarbonylContact O-C 3.57Å; E80-G83 VanDerWaalsContact O-CA 3.28Å; E80-G83 WeakPolarHBondContact O-CA 3.5Å; E80-G83 PolarHBondContact O-N 3.27Å; K81-G83 VanDerWaalsContact C-N 3.25Å; K81-G83 PolarHBondContact O-N 2.94Å; G83-E85 VanDerWaalsContact C-N 3.31Å; G83-E85 PolarHBondContact O-N 3.44Å; G83-C86 PolarHBondContact O-N 3.34Å
84E91.7Very high92.5Very high150 Ų15086.2 Ų86.270%0.70142%0.417SS*.Hα-helixtrans-59.1-40.7177-65.6175.5166.200112.2E80 K81 C86E80-E84 PolarHBondContact O-N 3.05Å; K81-E84 PolarHBondContact O-N 3.15Å; E84-C86 PolarHBondContact O-N 2.9Å
85E92.8Very high92.5Very high125 Ų12585.3 Ų85.358%0.58442%0.418SS*.THydrogen-bonded Turntrans-77.1-1.7176.6-68.1177.9-174.500113.7K81 A82 G83 R87K81-E85 WeakPolarHBondContact O-CG 3.5Å; K81-E85 PolarHBondContact O-N 2.97Å; A82-E85 PolarHBondContact O-N 3.19Å; G83-E85 VanDerWaalsContact C-N 3.31Å; G83-E85 PolarHBondContact O-N 3.44Å; E85-R87 HydrophobicContact CB-CB 3.93Å; E85-R87 PolarHBondContact O-N 3.28Å; E85-R87 VanDerWaalsContact O-N 3.12Å
86C90.6Very high92.5Very high102 Ų10285.6 Ų85.669%0.68943%0.425SS*.THydrogen-bonded Turntrans49.534.6-171.3-68.80000112.7A82 G83 E84 P107A82-C86 PolarHBondContact O-N 2.8Å; A82-C86 VanDerWaalsContact O-N 3.14Å; G83-C86 PolarHBondContact O-N 3.34Å; E84-C86 PolarHBondContact O-N 2.9Å; C86-P107 VanDerWaalsContact C-CG 3.44Å
87R92Very high92.4Very high158 Ų15892.4 Ų92.460%0.59646%0.461SS*.  trans-104.2140.2-171.6178.7179.5171.1-177.2-0.2111.2A82 E85A82-R87 PolarHBondContact O-N 3.32Å; E85-R87 HydrophobicContact CB-CB 3.93Å; E85-R87 PolarHBondContact O-N 3.28Å; E85-R87 VanDerWaalsContact O-N 3.12Å
88H92.5Very high92.4Very high107 Ų10797.6 Ų97.650%0.49549%0.489SS..PPolyproline II helixtrans-77.2134.8169.4-69.763.2000111.4S104 V105H88-S104 WeakPolarHBondContact CB-OG 3.35Å; H88-V105 CarbonylContact C-O 3.56Å; H88-V105 VanDerWaalsContact CA-O 3.31Å; H88-V105 WeakPolarHBondContact CA-O 3.27Å
89V92Very high92.5Very high23 Ų2396.8 Ų96.814%0.13949%0.487CS..EExtended strand (participates in β ladder)trans-98.1119.7175.6-172.30000109.4L78 L79 A82 M91 S104 V105L78-V89 HydrophobicContact CD2-CB 4.41Å; L78-V89 HydrophobicContact CD2-CG1 3.58Å; L78-V89 HydrophobicContact CD2-CG2 4Å; L79-V89 HydrophobicContact CD2-CG2 4.3Å; A82-V89 HydrophobicContact CB-CG2 3.19Å; V89-M91 HydrophobicContact CB-CG 4.47Å; V89-M91 HydrophobicContact CG1-CG 3.64Å; V89-M91 HydrophobicContact CG1-SD 4.06Å; V89-S104 CarbonylContact O-C 3.58Å; V89-S104 WeakPolarHBondContact O-CA 3.42Å; V89-V105 HydrophobicContact CB-CB 4.45Å; V89-V105 PolarHBondContact N-O 3.06Å; V89-V105 PolarHBondContact O-N 3.42Å
90R92.7Very high92.6Very high213 Ų213102 Ų10280%0.80451%0.511SS*.EExtended strand (participates in β ladder)trans-86.6118.7175.5-155.1-178-68.7177.9-2.1109.1A103R90-A103 WeakPolarHBondContact CA-O 3.35Å
91M92.3Very high92.7Very high50 Ų50102.9 Ų102.925%0.24652%0.52CS..EExtended strand (participates in β ladder)trans-129.8159.9-176.6-61.9-17372.600111.3L75 V89 F93 R102 A103 V105L75-M91 HydrophobicContact CD1-CE 3.65Å; L75-M91 HydrophobicContact CD1-SD 4.2Å; V89-M91 HydrophobicContact CB-CG 4.47Å; V89-M91 HydrophobicContact CG1-CG 3.64Å; V89-M91 HydrophobicContact CG1-SD 4.06Å; M91-F93 HydrophobicContact CB-CD2 4.39Å; M91-F93 HydrophobicContact CB-CE2 3.64Å; M91-F93 HydrophobicContact CB-CZ 3.82Å; M91-F93 HydrophobicContact SD-CZ 4.17Å; M91-R102 WeakPolarHBondContact O-CA 3.39Å; M91-A103 PolarHBondContact N-O 2.91Å; M91-A103 PolarHBondContact O-N 3.08Å; M91-A103 VanDerWaalsContact O-O 3.14Å; M91-V105 HydrophobicContact CG-CG2 4.48Å; M91-V105 HydrophobicContact SD-CG2 4.18Å
92Q92.7Very high92.8Very high104 Ų104106 Ų10649%0.48653%0.528SS..EExtended strand (participates in β ladder)trans-107.8126.6171.7-58.3-168.6-1500108.7V101 R102Q92-V101 CarbonylContact C-O 3.59Å; Q92-V101 WeakPolarHBondContact CA-O 3.43Å; Q92-R102 HydrophobicContact CG-CG 4.14Å
93F92.4Very high92.9Very high84 Ų84107.3 Ų107.337%0.36854%0.539SS..EExtended strand (participates in β ladder)trans-112.4124.2179.3-64.5-84.3000109.2M91 L95 Q100 V101 A103 V105M91-F93 HydrophobicContact CB-CD2 4.39Å; M91-F93 HydrophobicContact CB-CE2 3.64Å; M91-F93 HydrophobicContact CB-CZ 3.82Å; M91-F93 HydrophobicContact SD-CZ 4.17Å; F93-L95 PolarHBondContact O-N 3Å; F93-Q100 WeakPolarHBondContact O-CA 3.42Å; F93-V101 PolarHBondContact N-O 2.86Å; F93-V101 PolarHBondContact O-N 3.18Å; F93-A103 HydrophobicContact CD2-CB 3.83Å; F93-A103 HydrophobicContact CE2-CB 3.85Å; F93-V105 HydrophobicContact CE2-CG2 4.06Å; F93-V105 HydrophobicContact CZ-CG2 3.78Å
94P92.7Very high93Very high102 Ų102109.5 Ų109.566%0.66255%0.551SS**EExtended strand (participates in β ladder)trans-67.8127.717028.3-31.2000109.3
95L91.9Very high93.1Very high125 Ų125103.9 Ų103.965%0.65453%0.527SS*.EExtended strand (participates in β ladder)trans-94.6-44.7172.5-77.8-179000111.2F93 V99 V101F93-L95 PolarHBondContact O-N 3Å; L95-V99 HydrophobicContact CB-CG1 4.32Å; L95-V99 HydrophobicContact CD1-CG1 4.43Å; L95-V99 PolarHBondContact N-O 3.24Å; L95-V101 HydrophobicContact CD1-CB 4.34Å; L95-V101 HydrophobicContact CD1-CG2 3.29Å; L95-V101 HydrophobicContact CG-CB 4.46Å; L95-V101 HydrophobicContact CG-CG2 3.86Å
96C92.9Very high93.1Very high78 Ų78101.4 Ų101.453%0.52752%0.522SS..EExtended strand (participates in β ladder)trans-157.2-179.7174.161.40000109.5N98 V99C96-N98 PolarHBondContact O-N 3.42Å; C96-V99 PolarHBondContact N-O 3.11Å; C96-V99 PolarHBondContact O-N 3.05Å; C96-V99 VanDerWaalsContact O-O 3.08Å; C96-V99 VanDerWaalsContact SG-CB 3.52Å; C96-V99 WeakPolarHBondContact SG-CG2 3.47Å
97D91.9Very high93.1Very high148 Ų14899 Ų9979%0.79151%0.505SS*.THydrogen-bonded Turntrans-54.3124.9-178.8-63.5-21.7000111.3V99D97-V99 PolarHBondContact O-N 3.1Å
98N92.8Very high93.1Very high173 Ų17393.8 Ų93.893%0.92549%0.49SS*.THydrogen-bonded Turntrans64.210.2-177.5-47.1-60.6000115.6C96C96-N98 PolarHBondContact O-N 3.42Å
99V95.6Very high93.1Very high67 Ų6793.7 Ų93.741%0.40649%0.494SS..EExtended strand (participates in β ladder)trans-121.8117.6177.4-1760000110.6L95 C96 D97L95-V99 HydrophobicContact CB-CG1 4.32Å; L95-V99 HydrophobicContact CD1-CG1 4.43Å; L95-V99 PolarHBondContact N-O 3.24Å; C96-V99 PolarHBondContact N-O 3.11Å; C96-V99 PolarHBondContact O-N 3.05Å; C96-V99 VanDerWaalsContact O-O 3.08Å; C96-V99 VanDerWaalsContact SG-CB 3.52Å; C96-V99 WeakPolarHBondContact SG-CG2 3.47Å; D97-V99 PolarHBondContact O-N 3.1Å
100Q95.2Very high93.2Very high128 Ų12897.8 Ų97.860%0.59851%0.507SS*.EExtended strand (participates in β ladder)trans-125141.6178.3-63.3178.1-7.600110.4F93F93-Q100 WeakPolarHBondContact O-CA 3.42Å
101V95.7Very high93.2Very high65 Ų6588.7 Ų88.739%0.39448%0.475SS..EExtended strand (participates in β ladder)trans-112.3135.5174.7172.10000109.9Q92 F93 L95Q92-V101 CarbonylContact C-O 3.59Å; Q92-V101 WeakPolarHBondContact CA-O 3.43Å; F93-V101 PolarHBondContact N-O 2.86Å; F93-V101 PolarHBondContact O-N 3.18Å; L95-V101 HydrophobicContact CD1-CB 4.34Å; L95-V101 HydrophobicContact CD1-CG2 3.29Å; L95-V101 HydrophobicContact CG-CB 4.46Å; L95-V101 HydrophobicContact CG-CG2 3.86Å
102R95.4Very high93.3Very high194 Ų19491.8 Ų91.873%0.73249%0.491SS*.EExtended strand (participates in β ladder)trans-86.1119.9169.2-58.2-170.9177.91642.3108.2M91 Q92M91-R102 WeakPolarHBondContact O-CA 3.39Å; Q92-R102 HydrophobicContact CG-CG 4.14Å
103A94.4Very high93.3Very high38 Ų3888 Ų8831%0.31447%0.474SS..EExtended strand (participates in β ladder)trans-126.3159.3175.500000110.6R90 M91 F93R90-A103 WeakPolarHBondContact CA-O 3.35Å; M91-A103 PolarHBondContact N-O 2.91Å; M91-A103 PolarHBondContact O-N 3.08Å; M91-A103 VanDerWaalsContact O-O 3.14Å; F93-A103 HydrophobicContact CD2-CB 3.83Å; F93-A103 HydrophobicContact CE2-CB 3.85Å
104S93.5Very high93.2Very high66 Ų6690 Ų9046%0.46249%0.486SS..EExtended strand (participates in β ladder)trans-110.7114.7175.5-164.70000107.8H88 V89H88-S104 WeakPolarHBondContact CB-OG 3.35Å; V89-S104 CarbonylContact O-C 3.58Å; V89-S104 WeakPolarHBondContact O-CA 3.42Å
105V92.4Very high92.9Very high31 Ų3188.7 Ų88.719%0.18847%0.473CS..EExtended strand (participates in β ladder)trans-84.2120.7177.2-174.20000107.6L79 H88 V89 M91 F93L79-V105 HydrophobicContact CD2-CG1 4.15Å; H88-V105 CarbonylContact C-O 3.56Å; H88-V105 VanDerWaalsContact CA-O 3.31Å; H88-V105 WeakPolarHBondContact CA-O 3.27Å; V89-V105 HydrophobicContact CB-CB 4.45Å; V89-V105 PolarHBondContact N-O 3.06Å; V89-V105 PolarHBondContact O-N 3.42Å; M91-V105 HydrophobicContact CG-CG2 4.48Å; M91-V105 HydrophobicContact SD-CG2 4.18Å; F93-V105 HydrophobicContact CE2-CG2 4.06Å; F93-V105 HydrophobicContact CZ-CG2 3.78Å
106P92.9Very high92.4Very high73 Ų7384.4 Ų84.447%0.47446%0.459SS..PPolyproline II helixtrans-69.4161.8174.330.6-34.2000110.8T108P106-T108 PolarHBondContact O-N 3.25Å
107P91.8Very high92.1Very high52 Ų5285.5 Ų85.534%0.33847%0.474SS..PPolyproline II helixtrans-49131.7169-2836.7000111.2C86C86-P107 VanDerWaalsContact C-CG 3.44Å
108T92.5Very high91.8Very high48 Ų4884.5 Ų84.529%0.29448%0.478SS..  trans-143.7156.7179.2-175.10000109.5P106 R110 F125P106-T108 PolarHBondContact O-N 3.25Å; T108-R110 PolarHBondContact OG1-N 2.98Å; T108-R110 PolarHBondContact OG1-O 3.39Å; T108-F125 HydrophobicContact CG2-CZ 4.21Å; T108-F125 WeakPolarHBondContact O-CE2 3.33Å
109D91.9Very high91.7Very high106 Ų10679.8 Ų79.857%0.56746%0.456SS*.SBendtrans-108.4-0.417663.6-31.8000112.6
110R93.2Very high91.5Very high109 Ų10982.6 Ų82.641%0.41147%0.466SS..EExtended strand (participates in β ladder)trans-136.4153.2-169.8-66.6-178.2-179.7-140.3-8.9113.2T108 E122 F123T108-R110 PolarHBondContact OG1-N 2.98Å; T108-R110 PolarHBondContact OG1-O 3.39Å; R110-E122 HydrophobicContact CB-CG 3.98Å; R110-E122 VanDerWaalsContact CD-OE1 3.22Å; R110-E122 WeakPolarHBondContact CD-OE1 3.32Å; R110-E122 HydrophobicContact CG-CG 4.41Å; R110-E122 IonicContact CZ-OE2 3.93Å; R110-E122 IonicContact NH1-OE2 2.87Å; R110-E122 PolarHBondContact NH1-OE2 3.47Å; R110-F123 CarbonylContact C-O 3.55Å; R110-F123 VanDerWaalsContact CA-O 3.25Å; R110-F123 WeakPolarHBondContact CA-O 3.47Å
111V94.1Very high91.5Very high22 Ų2279 Ų7913%0.13345%0.452CS..EExtended strand (participates in β ladder)trans-135152.2175.4-670000110.5L79 E122 F123 F125 A128L79-V111 HydrophobicContact CD1-CG1 4.34Å; V111-E122 CarbonylContact O-C 3.59Å; V111-E122 WeakPolarHBondContact O-CA 3.46Å; V111-F123 PolarHBondContact N-O 2.97Å; V111-F123 PolarHBondContact O-N 2.88Å; V111-F125 HydrophobicContact CG1-CD1 3.88Å; V111-F125 HydrophobicContact CG1-CE1 3.42Å; V111-F125 VanDerWaalsContact CG1-CE1 3.42Å; V111-F125 HydrophobicContact CG1-CZ 4.36Å; V111-A128 HydrophobicContact CG2-CB 3.5Å
112I93.3Very high91.4Very high114 Ų11480.8 Ų80.859%0.58546%0.457SS*.EExtended strand (participates in β ladder)trans-104124.2175.4-59.2175.4000108.4M120 V121 E122I112-M120 HydrophobicContact CG2-CB 3.8Å; I112-M120 HydrophobicContact CG2-CG 4.31Å; I112-M120 HydrophobicContact CG2-SD 4.44Å; I112-V121 WeakPolarHBondContact CA-O 3.38Å; I112-E122 HydrophobicContact CG1-CB 4.4Å; I112-E122 HydrophobicContact CG1-CG 4.42Å
113L92.6Very high91.4Very high24 Ų2473.1 Ų73.113%0.12643%0.429CS..EExtended strand (participates in β ladder)trans-108.2137.6175.2-62.8179.5000110.6L115 M120 V121 F123 A128 L132L113-L115 HydrophobicContact CB-CD2 4.31Å; L113-M120 WeakPolarHBondContact O-CA 3.47Å; L113-V121 PolarHBondContact N-O 3.43Å; L113-V121 PolarHBondContact O-N 2.92Å; L113-F123 HydrophobicContact CB-CD2 3.94Å; L113-F123 HydrophobicContact CB-CE2 4.01Å; L113-F123 HydrophobicContact CD1-CD2 3.77Å; L113-F123 HydrophobicContact CD1-CE2 4.09Å; L113-F123 HydrophobicContact CD1-CG 4.45Å; L113-F123 HydrophobicContact CG-CD2 3.93Å; L113-F123 HydrophobicContact CG-CE2 4.39Å; L113-A128 HydrophobicContact CD1-CB 3.95Å; L113-L132 HydrophobicContact CD1-CG 4.4Å
114M89.8Confident91.5Very high127 Ų12773.4 Ų73.463%0.62643%0.427SS*.EExtended strand (participates in β ladder)trans-83.8116.8166.9-88.7-179.853.500109.8M120M114-M120 HydrophobicContact CG-CE 3.54Å; M114-M120 HydrophobicContact CG-CG 3.56Å; M114-M120 HydrophobicContact CG-SD 4.32Å; M114-M120 HydrophobicContact SD-CE 3.52Å; M114-M120 VanDerWaalsContact SD-CE 3.52Å
115L86.3Confident91.5Very high75 Ų7570.8 Ų70.839%0.39341%0.407SS..EExtended strand (participates in β ladder)trans-92.90.7-179.9-56.8-174.9000113.2L113 T119 V121 F123 H131L113-L115 HydrophobicContact CB-CD2 4.31Å; L115-T119 PolarHBondContact N-O 3.04Å; L115-V121 HydrophobicContact CD1-CB 4.1Å; L115-V121 HydrophobicContact CD1-CG2 3.64Å; L115-V121 HydrophobicContact CG-CG2 4.32Å; L115-F123 HydrophobicContact CD1-CE2 4.33Å; L115-F123 HydrophobicContact CD1-CZ 4.19Å; L115-F123 HydrophobicContact CD2-CE2 4.19Å; L115-F123 HydrophobicContact CD2-CZ 4.48Å; L115-H131 VanDerWaalsContact CD2-NE2 3.33Å; L115-H131 WeakPolarHBondContact CD2-NE2 3.37Å
116G83.3Confident91.6Very high35 Ų3573.9 Ų73.936%0.36142%0.423SS..EExtended strand (participates in β ladder)trans93.8179.6-172.600000112.5S118 T119G116-S118 PolarHBondContact O-N 2.63Å; G116-S118 VanDerWaalsContact O-N 3.08Å; G116-T119 WeakPolarHBondContact O-CB 3.25Å; G116-T119 PolarHBondContact O-N 2.86Å
117A85.7Confident91.7Very high100 Ų10075 Ų7583%0.82642%0.421SS*.THydrogen-bonded Turntrans45.442.7-178.300000113.7T119A117-T119 PolarHBondContact O-N 3.35Å; A117-T119 VanDerWaalsContact O-N 3.11Å; A117-T119 PolarHBondContact O-OG1 3.43Å
118S85.5Confident91.9Very high128 Ų12872.5 Ų72.590%0.89541%0.405SS*.THydrogen-bonded Turntrans56.624.1-177.7-54.10000115.2G116G116-S118 PolarHBondContact O-N 2.63Å; G116-S118 VanDerWaalsContact O-N 3.08Å
119T90.2Very high91.9Very high73 Ų7372.4 Ų72.445%0.44840%0.399SS..EExtended strand (participates in β ladder)trans-105.4124.4-179.2-54.50000110.5L115 G116 A117 V121L115-T119 PolarHBondContact N-O 3.04Å; G116-T119 WeakPolarHBondContact O-CB 3.25Å; G116-T119 PolarHBondContact O-N 2.86Å; A117-T119 PolarHBondContact O-N 3.35Å; A117-T119 VanDerWaalsContact O-N 3.11Å; A117-T119 PolarHBondContact O-OG1 3.43Å; T119-V121 HydrophobicContact CG2-CG2 4.02Å
120M92.9Very high92.1Very high126 Ų12673.8 Ų73.862%0.62140%0.403SS*.EExtended strand (participates in β ladder)trans-114.3134172-72.3179.1-178.100108.8I112 L113 M114I112-M120 HydrophobicContact CG2-CB 3.8Å; I112-M120 HydrophobicContact CG2-CG 4.31Å; I112-M120 HydrophobicContact CG2-SD 4.44Å; L113-M120 WeakPolarHBondContact O-CA 3.47Å; M114-M120 HydrophobicContact CG-CE 3.54Å; M114-M120 HydrophobicContact CG-CG 3.56Å; M114-M120 HydrophobicContact CG-SD 4.32Å; M114-M120 HydrophobicContact SD-CE 3.52Å; M114-M120 VanDerWaalsContact SD-CE 3.52Å
121V93.1Very high92.1Very high52 Ų5272 Ų7232%0.31540%0.399SS..EExtended strand (participates in β ladder)trans-129.9136.3-179.8-178.20000109I112 L113 L115 T119 F123I112-V121 WeakPolarHBondContact CA-O 3.38Å; L113-V121 PolarHBondContact N-O 3.43Å; L113-V121 PolarHBondContact O-N 2.92Å; L115-V121 HydrophobicContact CD1-CB 4.1Å; L115-V121 HydrophobicContact CD1-CG2 3.64Å; L115-V121 HydrophobicContact CG-CG2 4.32Å; T119-V121 HydrophobicContact CG2-CG2 4.02Å; V121-F123 HydrophobicContact CB-CD2 4.27Å; V121-F123 HydrophobicContact CB-CE2 3.58Å; V121-F123 HydrophobicContact CB-CZ 3.99Å; V121-F123 HydrophobicContact CG1-CD2 4.2Å; V121-F123 HydrophobicContact CG1-CE1 4.24Å; V121-F123 HydrophobicContact CG1-CE2 3.66Å; V121-F123 HydrophobicContact CG1-CZ 3.7Å; V121-F123 WeakPolarHBondContact O-CD2 3.38Å
122E94.8Very high92.2Very high104 Ų10471.2 Ų71.249%0.48639%0.394SS..EExtended strand (participates in β ladder)trans-82.8133.6173.5-169.8-176.7-142.800109.7R110 V111 I112R110-E122 HydrophobicContact CB-CG 3.98Å; R110-E122 VanDerWaalsContact CD-OE1 3.22Å; R110-E122 WeakPolarHBondContact CD-OE1 3.32Å; R110-E122 HydrophobicContact CG-CG 4.41Å; R110-E122 IonicContact CZ-OE2 3.93Å; R110-E122 IonicContact NH1-OE2 2.87Å; R110-E122 PolarHBondContact NH1-OE2 3.47Å; V111-E122 CarbonylContact O-C 3.59Å; V111-E122 WeakPolarHBondContact O-CA 3.46Å; I112-E122 HydrophobicContact CG1-CB 4.4Å; I112-E122 HydrophobicContact CG1-CG 4.42Å
123F94.9Very high92.2Very high33 Ų3370.7 Ų70.715%0.14539%0.389CS..EExtended strand (participates in β ladder)trans-131.1149.2-179-70.6-79.7000110R110 V111 L113 L115 V121 E127 A128R110-F123 CarbonylContact C-O 3.55Å; R110-F123 VanDerWaalsContact CA-O 3.25Å; R110-F123 WeakPolarHBondContact CA-O 3.47Å; V111-F123 PolarHBondContact N-O 2.97Å; V111-F123 PolarHBondContact O-N 2.88Å; L113-F123 HydrophobicContact CB-CD2 3.94Å; L113-F123 HydrophobicContact CB-CE2 4.01Å; L113-F123 HydrophobicContact CD1-CD2 3.77Å; L113-F123 HydrophobicContact CD1-CE2 4.09Å; L113-F123 HydrophobicContact CD1-CG 4.45Å; L113-F123 HydrophobicContact CG-CD2 3.93Å; L113-F123 HydrophobicContact CG-CE2 4.39Å; L115-F123 HydrophobicContact CD1-CE2 4.33Å; L115-F123 HydrophobicContact CD1-CZ 4.19Å; L115-F123 HydrophobicContact CD2-CE2 4.19Å; L115-F123 HydrophobicContact CD2-CZ 4.48Å; V121-F123 HydrophobicContact CB-CD2 4.27Å; V121-F123 HydrophobicContact CB-CE2 3.58Å; V121-F123 HydrophobicContact CB-CZ 3.99Å; V121-F123 HydrophobicContact CG1-CD2 4.2Å; V121-F123 HydrophobicContact CG1-CE1 4.24Å; V121-F123 HydrophobicContact CG1-CE2 3.66Å; V121-F123 HydrophobicContact CG1-CZ 3.7Å; V121-F123 WeakPolarHBondContact O-CD2 3.38Å; F123-E127 HydrophobicContact CB-CB 4.15Å; F123-E127 HydrophobicContact CD1-CB 3.68Å; F123-E127 HydrophobicContact CG-CB 4.37Å; F123-A128 HydrophobicContact CB-CB 4.04Å
124T96.1Very high92.3Very high44 Ų4476.8 Ų76.827%0.2741%0.414SS..EExtended strand (participates in β ladder)trans-65.8161.5158.859.70000110.4D126 E127 A128T124-D126 VanDerWaalsContact C-N 3.27Å; T124-D126 PolarHBondContact O-N 3.08Å; T124-E127 PolarHBondContact N-OE2 3.28Å; T124-E127 PolarHBondContact O-N 3.48Å; T124-E127 WeakPolarHBondContact OG1-CG 3.42Å; T124-E127 PolarHBondContact OG1-N 3.37Å; T124-E127 PolarHBondContact OG1-OE2 3.24Å; T124-A128 WeakPolarHBondContact O-CB 3.39Å; T124-A128 PolarHBondContact O-N 3.47Å
125F94.3Very high92.5Very high11 Ų1172 Ų725%0.04839%0.39CS..Hα-helixtrans-58.3-38.1177.5-67.5-61.6000113.2C76 L79 E80 T108 V111 A128 R129C76-F125 HydrophobicContact CB-CD1 4.06Å; L79-F125 HydrophobicContact CB-CE1 3.77Å; L79-F125 HydrophobicContact CB-CZ 3.7Å; E80-F125 HydrophobicContact CB-CD1 4.44Å; E80-F125 HydrophobicContact CB-CD2 3.72Å; E80-F125 HydrophobicContact CB-CE2 3.85Å; E80-F125 HydrophobicContact CB-CG 4.03Å; E80-F125 HydrophobicContact CB-CZ 4.29Å; E80-F125 HydrophobicContact CG-CD2 3.82Å; E80-F125 HydrophobicContact CG-CE2 4.25Å; E80-F125 HydrophobicContact CG-CG 4.34Å; T108-F125 HydrophobicContact CG2-CZ 4.21Å; T108-F125 WeakPolarHBondContact O-CE2 3.33Å; V111-F125 HydrophobicContact CG1-CD1 3.88Å; V111-F125 HydrophobicContact CG1-CE1 3.42Å; V111-F125 VanDerWaalsContact CG1-CE1 3.42Å; V111-F125 HydrophobicContact CG1-CZ 4.36Å; F125-A128 PolarHBondContact O-N 2.94Å; F125-R129 WeakPolarHBondContact O-CB 3.41Å; F125-R129 WeakPolarHBondContact O-CG 3.41Å; F125-R129 PolarHBondContact O-N 2.76Å
126D94.7Very high92.9Very high96 Ų9670 Ų7051%0.51338%0.381SS..Hα-helixtrans-66.1-45.7178-75.5-25.9000112.4T124 A128 R129 Q130T124-D126 VanDerWaalsContact C-N 3.27Å; T124-D126 PolarHBondContact O-N 3.08Å; D126-A128 VanDerWaalsContact C-N 3.34Å; D126-A128 PolarHBondContact O-N 3.36Å; D126-R129 PolarHBondContact O-N 2.89Å; D126-R129 IonicContact OD1-CZ 3.65Å; D126-R129 IonicContact OD1-NE 3.69Å; D126-R129 IonicContact OD1-NH2 2.75Å; D126-R129 PolarHBondContact OD1-NH2 2.83Å; D126-Q130 WeakPolarHBondContact O-CG 3.46Å; D126-Q130 PolarHBondContact O-N 3.31Å
127E95Very high93.5Very high95 Ų9574.7 Ų74.744%0.44439%0.394SS..Hα-helixtrans-64.6-40.8176.6-67.1164.4146.900111.3F123 T124 Q130 H131F123-E127 HydrophobicContact CB-CB 4.15Å; F123-E127 HydrophobicContact CD1-CB 3.68Å; F123-E127 HydrophobicContact CG-CB 4.37Å; T124-E127 PolarHBondContact N-OE2 3.28Å; T124-E127 PolarHBondContact O-N 3.48Å; T124-E127 WeakPolarHBondContact OG1-CG 3.42Å; T124-E127 PolarHBondContact OG1-N 3.37Å; T124-E127 PolarHBondContact OG1-OE2 3.24Å; E127-Q130 PolarHBondContact O-N 3.1Å; E127-H131 WeakPolarHBondContact O-CB 3.36Å; E127-H131 PolarHBondContact O-N 2.98Å
128A95Very high93.9Very high0 Ų078 Ų780%039%0.385CS..Hα-helixtrans-61.1-45.2175.900000111.2V111 L113 F123 T124 F125 D126 H131 L132V111-A128 HydrophobicContact CG2-CB 3.5Å; L113-A128 HydrophobicContact CD1-CB 3.95Å; F123-A128 HydrophobicContact CB-CB 4.04Å; T124-A128 WeakPolarHBondContact O-CB 3.39Å; T124-A128 PolarHBondContact O-N 3.47Å; F125-A128 PolarHBondContact O-N 2.94Å; D126-A128 VanDerWaalsContact C-N 3.34Å; D126-A128 PolarHBondContact O-N 3.36Å; A128-H131 PolarHBondContact O-N 3.3Å; A128-L132 WeakPolarHBondContact O-CB 3.42Å; A128-L132 WeakPolarHBondContact O-CG 3.33Å; A128-L132 PolarHBondContact O-N 3.4Å
129R94.3Very high94.4Very high46 Ų4672.1 Ų72.117%0.17434%0.343CS..Hα-helixtrans-60.8-47.6175.7-81.3-169.9-76.2-121.5-2.8112L73 D77 E80 F125 D126 H131 L132 Q133L73-R129 HydrophobicContact CD2-CB 4.39Å; L73-R129 HydrophobicContact CD2-CG 3.99Å; D77-R129 IonicContact OD1-NH1 3.04Å; D77-R129 PolarHBondContact OD1-NH1 3.42Å; E80-R129 VanDerWaalsContact CD-NH2 3.29Å; E80-R129 IonicContact OE1-CZ 3.69Å; E80-R129 IonicContact OE1-NH1 3.82Å; E80-R129 IonicContact OE1-NH2 2.75Å; E80-R129 PolarHBondContact OE1-NH2 3.36Å; E80-R129 IonicContact OE2-CZ 3.28Å; E80-R129 VanDerWaalsContact OE2-CZ 3.28Å; E80-R129 IonicContact OE2-NH1 2.65Å; E80-R129 PolarHBondContact OE2-NH1 2.9Å; E80-R129 IonicContact OE2-NH2 3.06Å; E80-R129 PolarHBondContact OE2-NH2 3.13Å; F125-R129 WeakPolarHBondContact O-CB 3.41Å; F125-R129 WeakPolarHBondContact O-CG 3.41Å; F125-R129 PolarHBondContact O-N 2.76Å; D126-R129 PolarHBondContact O-N 2.89Å; D126-R129 IonicContact OD1-CZ 3.65Å; D126-R129 IonicContact OD1-NE 3.69Å; D126-R129 IonicContact OD1-NH2 2.75Å; D126-R129 PolarHBondContact OD1-NH2 2.83Å; R129-H131 VanDerWaalsContact C-N 3.3Å; R129-H131 PolarHBondContact O-N 2.9Å; R129-L132 PolarHBondContact O-N 2.98Å; R129-Q133 VanDerWaalsContact O-CB 3.29Å; R129-Q133 WeakPolarHBondContact O-CB 3.33Å; R129-Q133 VanDerWaalsContact O-CG 3.23Å; R129-Q133 WeakPolarHBondContact O-CG 3.35Å; R129-Q133 PolarHBondContact O-N 3.49Å
130Q95Very high94.7Very high136 Ų13671.4 Ų71.464%0.63634%0.339SS*.Hα-helixtrans-59.6-43.1177.1-73.2-179.95.200111.4D126 E127 K134D126-Q130 WeakPolarHBondContact O-CG 3.46Å; D126-Q130 PolarHBondContact O-N 3.31Å; E127-Q130 PolarHBondContact O-N 3.1Å; Q130-K134 WeakPolarHBondContact O-CB 3.37Å; Q130-K134 PolarHBondContact O-N 2.98Å
131H94Very high94.8Very high71 Ų7168.5 Ų68.533%0.32934%0.335SS..Hα-helixtrans-62.4-50.3177.9-169.486000111.9L115 E127 A128 R129 Q133 K134 E135L115-H131 VanDerWaalsContact CD2-NE2 3.33Å; L115-H131 WeakPolarHBondContact CD2-NE2 3.37Å; E127-H131 WeakPolarHBondContact O-CB 3.36Å; E127-H131 PolarHBondContact O-N 2.98Å; A128-H131 PolarHBondContact O-N 3.3Å; R129-H131 VanDerWaalsContact C-N 3.3Å; R129-H131 PolarHBondContact O-N 2.9Å; H131-Q133 PolarHBondContact O-N 3.09Å; H131-K134 PolarHBondContact O-N 3.1Å; H131-E135 PolarHBondContact O-N 3.44Å
132L94.4Very high94.9Very high5 Ų567.7 Ų67.73%0.02633%0.327CS..Hα-helixtrans-66.5-36.5-178.8-69.4172.4000112.4I69 L73 L113 A128 R129 E135 T136I69-L132 HydrophobicContact CG1-CD2 4.44Å; I69-L132 HydrophobicContact CG2-CB 3.96Å; I69-L132 HydrophobicContact CG2-CD2 4.03Å; L73-L132 HydrophobicContact CD2-CB 3.76Å; L73-L132 HydrophobicContact CD2-CD1 3.9Å; L73-L132 HydrophobicContact CG-CB 4.06Å; L73-L132 HydrophobicContact CG-CD1 4.11Å; L113-L132 HydrophobicContact CD1-CG 4.4Å; A128-L132 WeakPolarHBondContact O-CB 3.42Å; A128-L132 WeakPolarHBondContact O-CG 3.33Å; A128-L132 PolarHBondContact O-N 3.4Å; R129-L132 PolarHBondContact O-N 2.98Å; L132-E135 PolarHBondContact O-N 3.46Å; L132-T136 WeakPolarHBondContact O-CB 3.48Å; L132-T136 PolarHBondContact O-N 2.95Å; L132-T136 PolarHBondContact O-OG1 3.47Å
133Q94.3Very high95Very high103 Ų10363.5 Ų63.548%0.48131%0.308SS..Hα-helixtrans-64.4-47.7173.9-77.3173.6-6.100111.2R129 H131 E135 T136 E137R129-Q133 VanDerWaalsContact O-CB 3.29Å; R129-Q133 WeakPolarHBondContact O-CB 3.33Å; R129-Q133 VanDerWaalsContact O-CG 3.23Å; R129-Q133 WeakPolarHBondContact O-CG 3.35Å; R129-Q133 PolarHBondContact O-N 3.49Å; H131-Q133 PolarHBondContact O-N 3.09Å; Q133-E135 VanDerWaalsContact C-N 3.3Å; Q133-E135 PolarHBondContact O-N 3.4Å; Q133-T136 WeakPolarHBondContact O-CA 3.32Å; Q133-T136 WeakPolarHBondContact O-CB 3.47Å; Q133-T136 PolarHBondContact O-N 3.28Å; Q133-T136 VanDerWaalsContact O-N 3.07Å; Q133-E137 WeakPolarHBondContact O-CG 3.44Å; Q133-E137 PolarHBondContact O-N 3.2Å
134K94.9Very high95Very high152 Ų15264.6 Ų64.666%0.66132%0.323SS*.Hα-helixtrans-61.1-38.9176-173.9176.4-179178.10112.2Q130 H131 T136 E137 R138Q130-K134 WeakPolarHBondContact O-CB 3.37Å; Q130-K134 PolarHBondContact O-N 2.98Å; H131-K134 PolarHBondContact O-N 3.1Å; K134-T136 VanDerWaalsContact C-N 3.34Å; K134-E137 PolarHBondContact O-N 3.33Å; K134-R138 PolarHBondContact O-N 3.41Å; K134-R138 VanDerWaalsContact O-N 3.08Å
135E93.2Very high94.9Very high27 Ų2766.1 Ų66.113%0.12633%0.327CS..Hα-helixtrans-63.8-41.2173.9-166.8-178.7173.200111.3R65 I69 H131 L132 Q133 R138 I139R65-E135 IonicContact CZ-OE1 3.54Å; R65-E135 IonicContact NE-OE1 3.91Å; R65-E135 PolarHBondContact NE-OE1 3.32Å; R65-E135 VanDerWaalsContact NE-OE1 3.09Å; R65-E135 IonicContact NH2-OE1 2.62Å; R65-E135 PolarHBondContact NH2-OE1 3.18Å; R65-E135 IonicContact NH2-OE2 3.33Å; R65-E135 PolarHBondContact NH2-OE2 3.2Å; I69-E135 HydrophobicContact CD1-CB 4.22Å; I69-E135 VanDerWaalsContact CD1-CD 3.48Å; I69-E135 HydrophobicContact CD1-CG 3.75Å; H131-E135 PolarHBondContact O-N 3.44Å; L132-E135 PolarHBondContact O-N 3.46Å; Q133-E135 VanDerWaalsContact C-N 3.3Å; Q133-E135 PolarHBondContact O-N 3.4Å; E135-R138 PolarHBondContact O-N 3.04Å; E135-I139 HydrophobicContact CG-CD1 4.05Å; E135-I139 WeakPolarHBondContact O-CG1 3.34Å; E135-I139 PolarHBondContact O-N 3.38Å
136T94.3Very high94.9Very high32 Ų3265.6 Ų65.620%0.19633%0.325CS..Hα-helixtrans-62.4-42.3177-58.20000112.2I69 L132 Q133 K134 I139 T140I69-T136 VanDerWaalsContact CG2-OG1 3.24Å; I69-T136 WeakPolarHBondContact CG2-OG1 3.45Å; L132-T136 WeakPolarHBondContact O-CB 3.48Å; L132-T136 PolarHBondContact O-N 2.95Å; L132-T136 PolarHBondContact O-OG1 3.47Å; Q133-T136 WeakPolarHBondContact O-CA 3.32Å; Q133-T136 WeakPolarHBondContact O-CB 3.47Å; Q133-T136 PolarHBondContact O-N 3.28Å; Q133-T136 VanDerWaalsContact O-N 3.07Å; K134-T136 VanDerWaalsContact C-N 3.34Å; T136-I139 PolarHBondContact O-N 3.47Å; T136-T140 WeakPolarHBondContact O-CB 3.44Å; T136-T140 PolarHBondContact O-N 3Å; T136-T140 PolarHBondContact O-OG1 3.3Å
137E95.9Very high94.9Very high134 Ų13465 Ų6563%0.62632%0.319SS*.Hα-helixtrans-60.8-47.5174.7-72173-179.300110.9Q133 K134 I139 T140 A141Q133-E137 WeakPolarHBondContact O-CG 3.44Å; Q133-E137 PolarHBondContact O-N 3.2Å; K134-E137 PolarHBondContact O-N 3.33Å; E137-I139 PolarHBondContact O-N 3.35Å; E137-T140 PolarHBondContact O-N 3.5Å; E137-A141 PolarHBondContact O-N 2.89Å
138R95.2Very high94.9Very high169 Ų16964.3 Ų64.364%0.63833%0.325SS*.Hα-helixtrans-59.1-45.8177.2-174.7-176.167.2159.4-1.3111.9K134 E135 T140 A141 K142K134-R138 PolarHBondContact O-N 3.41Å; K134-R138 VanDerWaalsContact O-N 3.08Å; E135-R138 PolarHBondContact O-N 3.04Å; R138-T140 VanDerWaalsContact C-N 3.34Å; R138-A141 PolarHBondContact O-N 2.93Å; R138-K142 WeakPolarHBondContact O-CB 3.34Å; R138-K142 PolarHBondContact O-N 3.44Å
139I95.5Very high94.8Very high6 Ų665.5 Ų65.53%0.03133%0.329CS..Hα-helixtrans-64.6-41.6178.1-70.3166.8000110.5L62 R65 K66 I69 E135 T136 E137 K142 L143L62-I139 HydrophobicContact CB-CG2 4.19Å; L62-I139 HydrophobicContact CD2-CG1 4.41Å; L62-I139 HydrophobicContact CD2-CG2 4.39Å; R65-I139 HydrophobicContact CB-CD1 4.39Å; R65-I139 HydrophobicContact CG-CD1 3.64Å; K66-I139 HydrophobicContact CB-CG2 4.1Å; I69-I139 HydrophobicContact CD1-CD1 3.38Å; E135-I139 HydrophobicContact CG-CD1 4.05Å; E135-I139 WeakPolarHBondContact O-CG1 3.34Å; E135-I139 PolarHBondContact O-N 3.38Å; T136-I139 PolarHBondContact O-N 3.47Å; E137-I139 PolarHBondContact O-N 3.35Å; I139-K142 PolarHBondContact O-N 2.92Å; I139-L143 HydrophobicContact CG2-CD1 3.98Å; I139-L143 HydrophobicContact CG2-CG 4.3Å; I139-L143 WeakPolarHBondContact O-CB 3.45Å; I139-L143 WeakPolarHBondContact O-CG 3.5Å; I139-L143 PolarHBondContact O-N 3.2Å
140T96.1Very high94.8Very high58 Ų5863.8 Ų63.836%0.35632%0.323SS..Hα-helixtrans-65.2-41.9179.6-580000111.5K66 T136 E137 R138 L143 A144K66-T140 PolarHBondContact NZ-OG1 2.96Å; T136-T140 WeakPolarHBondContact O-CB 3.44Å; T136-T140 PolarHBondContact O-N 3Å; T136-T140 PolarHBondContact O-OG1 3.3Å; E137-T140 PolarHBondContact O-N 3.5Å; R138-T140 VanDerWaalsContact C-N 3.34Å; T140-L143 PolarHBondContact O-N 2.94Å; T140-A144 PolarHBondContact O-N 2.77Å; T140-A144 VanDerWaalsContact O-N 3.1Å
141A96.3Very high94.7Very high64 Ų6460.9 Ų60.953%0.52931%0.312SS..Hα-helixtrans-62-43.217300000111.7E137 R138 L143 A144 E145E137-A141 PolarHBondContact O-N 2.89Å; R138-A141 PolarHBondContact O-N 2.93Å; A141-L143 PolarHBondContact O-N 2.76Å; A141-A144 PolarHBondContact O-N 2.89Å; A141-E145 PolarHBondContact O-N 2.91Å
142K94.8Very high94.7Very high35 Ų3560.4 Ų60.415%0.15231%0.309CS..Hα-helixtrans-66-36.9177.9-166.167.4-174.4171.90112.3D7 L62 R138 I139 E145 L146D7-K142 IonicContact OD1-NZ 3.54Å; D7-K142 IonicContact OD2-NZ 3.05Å; L62-K142 HydrophobicContact CD1-CB 4.16Å; L62-K142 HydrophobicContact CD1-CG 3.78Å; R138-K142 WeakPolarHBondContact O-CB 3.34Å; R138-K142 PolarHBondContact O-N 3.44Å; I139-K142 PolarHBondContact O-N 2.92Å; K142-E145 VanDerWaalsContact CD-OE2 3.25Å; K142-E145 WeakPolarHBondContact CD-OE2 3.47Å; K142-E145 WeakPolarHBondContact CE-OE2 3.21Å; K142-E145 IonicContact NZ-OE1 3.64Å; K142-E145 IonicContact NZ-OE2 3.45Å; K142-E145 PolarHBondContact NZ-OE2 3.35Å; K142-E145 PolarHBondContact O-N 3.07Å; K142-L146 WeakPolarHBondContact O-CG 3.39Å; K142-L146 PolarHBondContact O-N 3.05Å
143L96.3Very high94.6Very high17 Ų1760.2 Ų60.29%0.08931%0.308CS..Hα-helixtrans-62-44.2174.3-77.5170.4000111.7R59 L62 I63 K66 I139 T140 A141 E145 L146 E147R59-L143 HydrophobicContact CG-CD2 3.81Å; L62-L143 HydrophobicContact CB-CD2 3.74Å; L62-L143 HydrophobicContact CB-CG 4.16Å; L62-L143 HydrophobicContact CD1-CD2 4.35Å; I63-L143 HydrophobicContact CG1-CD1 4.42Å; I63-L143 HydrophobicContact CG1-CD2 3.99Å; K66-L143 HydrophobicContact CD-CD1 4.16Å; I139-L143 HydrophobicContact CG2-CD1 3.98Å; I139-L143 HydrophobicContact CG2-CG 4.3Å; I139-L143 WeakPolarHBondContact O-CB 3.45Å; I139-L143 WeakPolarHBondContact O-CG 3.5Å; I139-L143 PolarHBondContact O-N 3.2Å; T140-L143 PolarHBondContact O-N 2.94Å; A141-L143 PolarHBondContact O-N 2.76Å; L143-E145 VanDerWaalsContact C-N 3.33Å; L143-E145 PolarHBondContact O-N 3.24Å; L143-L146 PolarHBondContact O-N 3.06Å; L143-E147 WeakPolarHBondContact O-CG 3.32Å; L143-E147 PolarHBondContact O-N 2.92Å
144A95.8Very high94.6Very high56 Ų5661.1 Ų61.146%0.46331%0.307SS..Hα-helixtrans-63.2-39.8176.600000112T140 A141 E147 S148T140-A144 PolarHBondContact O-N 2.77Å; T140-A144 VanDerWaalsContact O-N 3.1Å; A141-A144 PolarHBondContact O-N 2.89Å; A144-E147 PolarHBondContact O-N 3.48Å; A144-S148 PolarHBondContact O-N 2.87Å; A144-S148 VanDerWaalsContact O-N 3.1Å
145E94.1Very high94.5Very high76 Ų7659.7 Ų59.736%0.35530%0.303SS..Hα-helixtrans-61.9-46.3173.8-175.6-175.2-168.100111.8A141 K142 L143 E147 S148 R149A141-E145 PolarHBondContact O-N 2.91Å; K142-E145 VanDerWaalsContact CD-OE2 3.25Å; K142-E145 WeakPolarHBondContact CD-OE2 3.47Å; K142-E145 WeakPolarHBondContact CE-OE2 3.21Å; K142-E145 IonicContact NZ-OE1 3.64Å; K142-E145 IonicContact NZ-OE2 3.45Å; K142-E145 PolarHBondContact NZ-OE2 3.35Å; K142-E145 PolarHBondContact O-N 3.07Å; L143-E145 VanDerWaalsContact C-N 3.33Å; L143-E145 PolarHBondContact O-N 3.24Å; E145-E147 VanDerWaalsContact C-N 3.32Å; E145-E147 PolarHBondContact O-N 2.81Å; E145-S148 PolarHBondContact O-N 3.25Å; E145-R149 WeakPolarHBondContact O-CG 3.35Å; E145-R149 PolarHBondContact O-N 2.89Å; E145-R149 IonicContact OE1-CZ 3.92Å; E145-R149 IonicContact OE1-NE 2.63Å; E145-R149 IonicContact OE1-NH2 2.88Å; E145-R149 PolarHBondContact OE1-NH2 3.4Å
146L94.4Very high94.5Very high0 Ų059 Ų590%030%0.3CS..Hα-helixtrans-62-39.7177.5-72.5176.5000112L55 H58 R59 L62 K142 L143 R149 M150L55-L146 HydrophobicContact CD2-CD2 3.72Å; H58-L146 HydrophobicContact CB-CD1 4.44Å; R59-L146 HydrophobicContact CB-CD1 4.24Å; L62-L146 HydrophobicContact CD1-CD1 3.62Å; K142-L146 WeakPolarHBondContact O-CG 3.39Å; K142-L146 PolarHBondContact O-N 3.05Å; L143-L146 PolarHBondContact O-N 3.06Å; L146-R149 PolarHBondContact O-N 3.09Å; L146-M150 VanDerWaalsContact O-CG 3.27Å; L146-M150 WeakPolarHBondContact O-CG 3.23Å; L146-M150 PolarHBondContact O-N 3.38Å
147E94.6Very high94.4Very high82 Ų8258.3 Ų58.338%0.38330%0.295SS..Hα-helixtrans-60.9-48176.3-76.9176.9171.700111.5R59 L143 A144 E145 R149 M150 D151R59-E147 IonicContact CZ-OE1 3.44Å; R59-E147 IonicContact NE-OE1 3.24Å; R59-E147 PolarHBondContact NE-OE1 2.97Å; R59-E147 IonicContact NH2-OE1 2.76Å; R59-E147 PolarHBondContact NH2-OE1 3.09Å; L143-E147 WeakPolarHBondContact O-CG 3.32Å; L143-E147 PolarHBondContact O-N 2.92Å; A144-E147 PolarHBondContact O-N 3.48Å; E145-E147 VanDerWaalsContact C-N 3.32Å; E145-E147 PolarHBondContact O-N 2.81Å; E147-R149 VanDerWaalsContact C-N 3.29Å; E147-R149 PolarHBondContact O-N 3.3Å; E147-M150 PolarHBondContact O-N 3.3Å; E147-M150 VanDerWaalsContact O-N 3.15Å; E147-D151 PolarHBondContact O-N 3.41Å
148S93.9Very high94.3Very high81 Ų8156.1 Ų56.157%0.56629%0.291SS*.Hα-helixtrans-59-39.5175.61760000112.7A144 E145 D151 F152A144-S148 PolarHBondContact O-N 2.87Å; A144-S148 VanDerWaalsContact O-N 3.1Å; E145-S148 PolarHBondContact O-N 3.25Å; S148-D151 PolarHBondContact O-N 3.38Å; S148-F152 PolarHBondContact O-N 2.96Å
149R93.7Very high94.2Very high26 Ų2649.9 Ų49.910%0.09827%0.271CS..Hα-helixtrans-67-39.9176.2-70.8178.4-176.4-167.8-1.6112.8D7 F10 L55 E145 L146 E147 D151 F152 L153D7-R149 VanDerWaalsContact CG-NH2 3.26Å; D7-R149 IonicContact OD1-CZ 2.8Å; D7-R149 IonicContact OD1-NH1 3.87Å; D7-R149 PolarHBondContact OD1-NH1 3.07Å; D7-R149 IonicContact OD1-NH2 2.74Å; D7-R149 PolarHBondContact OD1-NH2 2.94Å; D7-R149 IonicContact OD2-NH2 3.42Å; F10-R149 HydrophobicContact CD1-CG 4.18Å; F10-R149 HydrophobicContact CD2-CB 4.26Å; F10-R149 HydrophobicContact CD2-CG 4.42Å; F10-R149 HydrophobicContact CE1-CB 4.22Å; F10-R149 HydrophobicContact CE1-CG 3.72Å; F10-R149 HydrophobicContact CE2-CB 3.58Å; F10-R149 HydrophobicContact CE2-CG 3.97Å; F10-R149 HydrophobicContact CZ-CB 3.56Å; F10-R149 HydrophobicContact CZ-CG 3.59Å; L55-R149 HydrophobicContact CD1-CB 3.77Å; E145-R149 WeakPolarHBondContact O-CG 3.35Å; E145-R149 PolarHBondContact O-N 2.89Å; E145-R149 IonicContact OE1-CZ 3.92Å; E145-R149 IonicContact OE1-NE 2.63Å; E145-R149 IonicContact OE1-NH2 2.88Å; E145-R149 PolarHBondContact OE1-NH2 3.4Å; L146-R149 PolarHBondContact O-N 3.09Å; E147-R149 VanDerWaalsContact C-N 3.29Å; E147-R149 PolarHBondContact O-N 3.3Å; R149-D151 VanDerWaalsContact C-N 3.35Å; R149-F152 WeakPolarHBondContact O-CB 3.18Å; R149-F152 PolarHBondContact O-N 3.12Å; R149-L153 WeakPolarHBondContact O-CG 3.22Å; R149-L153 PolarHBondContact O-N 2.8Å
150M93.6Very high94Very high10 Ų1049.8 Ų49.85%0.04927%0.271CS..Hα-helixtrans-65.6-39.8175.8-71.2178.573.200111.2L55 R56 L146 E147 L153 R154L55-M150 HydrophobicContact CB-CG 3.93Å; L55-M150 HydrophobicContact CB-SD 4.48Å; L55-M150 HydrophobicContact CD1-CG 4.19Å; R56-M150 HydrophobicContact CB-CE 4.07Å; R56-M150 HydrophobicContact CG-CE 4.21Å; L146-M150 VanDerWaalsContact O-CG 3.27Å; L146-M150 WeakPolarHBondContact O-CG 3.23Å; L146-M150 PolarHBondContact O-N 3.38Å; E147-M150 PolarHBondContact O-N 3.3Å; E147-M150 VanDerWaalsContact O-N 3.15Å; M150-L153 PolarHBondContact O-N 3.49Å; M150-R154 WeakPolarHBondContact O-CG 3.38Å; M150-R154 PolarHBondContact O-N 2.91Å
151D94.3Very high93.8Very high75 Ų7551.9 Ų51.940%0.40128%0.276SS..Hα-helixtrans-63.9-43175.2-71.1-24.1000111.6E147 S148 R149 L153 R154 E155E147-D151 PolarHBondContact O-N 3.41Å; S148-D151 PolarHBondContact O-N 3.38Å; R149-D151 VanDerWaalsContact C-N 3.35Å; D151-L153 VanDerWaalsContact C-N 3.34Å; D151-L153 PolarHBondContact O-N 3.46Å; D151-R154 WeakPolarHBondContact O-CB 3.29Å; D151-R154 PolarHBondContact O-N 2.85Å; D151-R154 IonicContact OD1-CZ 2.67Å; D151-R154 IonicContact OD1-NH1 3.82Å; D151-R154 PolarHBondContact OD1-NH1 3.37Å; D151-E155 PolarHBondContact O-N 2.85Å
152F92.6Very high93.6Very high61 Ų6152.9 Ų52.927%0.26827%0.272SS..Hα-helixtrans-55.2-48.4171.4173.8-97.1000111.8F10 V15 S148 R149 R154 E155 Q156F10-F152 HydrophobicContact CE1-CD1 4.32Å; F10-F152 HydrophobicContact CE2-CD1 4.15Å; F10-F152 HydrophobicContact CZ-CB 4.32Å; F10-F152 AromaticContact CZ-CD1 3.52Å; F10-F152 HydrophobicContact CZ-CD1 3.52Å; F10-F152 HydrophobicContact CZ-CE1 4.2Å; F10-F152 HydrophobicContact CZ-CG 4.2Å; V15-F152 HydrophobicContact CG2-CZ 4.38Å; S148-F152 PolarHBondContact O-N 2.96Å; R149-F152 WeakPolarHBondContact O-CB 3.18Å; R149-F152 PolarHBondContact O-N 3.12Å; F152-R154 VanDerWaalsContact C-N 3.31Å; F152-R154 PolarHBondContact O-N 3.33Å; F152-E155 WeakPolarHBondContact O-CB 3.24Å; F152-E155 PolarHBondContact O-N 2.9Å; F152-Q156 HydrophobicContact CD1-CG 3.93Å; F152-Q156 HydrophobicContact CD2-CG 4.34Å; F152-Q156 HydrophobicContact CE1-CG 3.49Å; F152-Q156 VanDerWaalsContact CE1-CG 3.49Å; F152-Q156 HydrophobicContact CE2-CG 3.93Å; F152-Q156 VanDerWaalsContact CE2-NE2 3.32Å; F152-Q156 HydrophobicContact CG-CG 4.34Å; F152-Q156 HydrophobicContact CZ-CG 3.49Å; F152-Q156 VanDerWaalsContact CZ-CG 3.49Å; F152-Q156 VanDerWaalsContact O-CG 3.31Å; F152-Q156 WeakPolarHBondContact O-CG 3.45Å; F152-Q156 PolarHBondContact O-N 2.89Å
153L93.4Very high93.3Very high0 Ų051.3 Ų51.30%027%0.265CS..Hα-helixtrans-60.9-39.6178.4-70.3174.8000112.5F10 L13 Y48 C51 E52 L55 R149 M150 D151 E155 Q156 I157F10-L153 HydrophobicContact CE2-CD1 4.19Å; F10-L153 HydrophobicContact CE2-CD2 4.1Å; F10-L153 HydrophobicContact CE2-CG 3.91Å; L13-L153 HydrophobicContact CD1-CD2 3.59Å; Y48-L153 HydrophobicContact CD1-CD2 4Å; C51-L153 HydrophobicContact CB-CD1 4.13Å; E52-L153 HydrophobicContact CB-CD1 4Å; E52-L153 HydrophobicContact CG-CD1 4.46Å; L55-L153 HydrophobicContact CD1-CD1 3.67Å; R149-L153 WeakPolarHBondContact O-CG 3.22Å; R149-L153 PolarHBondContact O-N 2.8Å; M150-L153 PolarHBondContact O-N 3.49Å; D151-L153 VanDerWaalsContact C-N 3.34Å; D151-L153 PolarHBondContact O-N 3.46Å; L153-E155 VanDerWaalsContact C-N 3.33Å; L153-E155 PolarHBondContact O-N 3.22Å; L153-Q156 PolarHBondContact O-N 2.92Å; L153-I157 WeakPolarHBondContact O-CB 3.49Å; L153-I157 VanDerWaalsContact O-CG1 3.23Å; L153-I157 WeakPolarHBondContact O-CG1 3.41Å; L153-I157 PolarHBondContact O-N 3.24Å
154R93.3Very high93Very high122 Ų12250.8 Ų50.846%0.4626%0.263SS..Hα-helixtrans-61.1-42.9176-71.1170.4-176.4157.2-4.6111.6M150 D151 F152 I157 T158M150-R154 WeakPolarHBondContact O-CG 3.38Å; M150-R154 PolarHBondContact O-N 2.91Å; D151-R154 WeakPolarHBondContact O-CB 3.29Å; D151-R154 PolarHBondContact O-N 2.85Å; D151-R154 IonicContact OD1-CZ 2.67Å; D151-R154 IonicContact OD1-NH1 3.82Å; D151-R154 PolarHBondContact OD1-NH1 3.37Å; F152-R154 VanDerWaalsContact C-N 3.31Å; F152-R154 PolarHBondContact O-N 3.33Å; R154-I157 PolarHBondContact O-N 3.17Å; R154-T158 WeakPolarHBondContact O-CB 3.25Å; R154-T158 PolarHBondContact O-N 2.93Å; R154-T158 PolarHBondContact O-OG1 2.76Å
155E93.6Very high92.7Very high122 Ų12250.2 Ų50.257%0.5726%0.258SS*.Hα-helixtrans-62.7-47.1175-69.6177.7-178.300111.2D151 F152 L153 I157 T158 V159D151-E155 PolarHBondContact O-N 2.85Å; F152-E155 WeakPolarHBondContact O-CB 3.24Å; F152-E155 PolarHBondContact O-N 2.9Å; L153-E155 VanDerWaalsContact C-N 3.33Å; L153-E155 PolarHBondContact O-N 3.22Å; E155-I157 VanDerWaalsContact C-N 3.34Å; E155-I157 PolarHBondContact O-N 2.87Å; E155-T158 WeakPolarHBondContact O-CB 3.47Å; E155-T158 PolarHBondContact O-N 3.01Å; E155-T158 VanDerWaalsContact O-N 3.16Å; E155-V159 WeakPolarHBondContact O-CG2 3.35Å; E155-V159 PolarHBondContact O-N 3.45Å
156Q93Very high92.5Very high13 Ų1349.9 Ų49.96%0.06125%0.254CS..Hα-helixtrans-59.5-43.9178.2-64.5-47.2-64.200112C16 Y48 F152 L153 M160C16-Q156 PolarHBondContact O-OE1 2.98Å; Y48-Q156 HydrophobicContact CD2-CB 4.31Å; Y48-Q156 HydrophobicContact CE1-CB 4.27Å; Y48-Q156 HydrophobicContact CE2-CB 3.91Å; F152-Q156 HydrophobicContact CD1-CG 3.93Å; F152-Q156 HydrophobicContact CD2-CG 4.34Å; F152-Q156 HydrophobicContact CE1-CG 3.49Å; F152-Q156 VanDerWaalsContact CE1-CG 3.49Å; F152-Q156 HydrophobicContact CE2-CG 3.93Å; F152-Q156 VanDerWaalsContact CE2-NE2 3.32Å; F152-Q156 HydrophobicContact CG-CG 4.34Å; F152-Q156 HydrophobicContact CZ-CG 3.49Å; F152-Q156 VanDerWaalsContact CZ-CG 3.49Å; F152-Q156 VanDerWaalsContact O-CG 3.31Å; F152-Q156 WeakPolarHBondContact O-CG 3.45Å; F152-Q156 PolarHBondContact O-N 2.89Å; L153-Q156 PolarHBondContact O-N 2.92Å; Q156-M160 WeakPolarHBondContact O-CB 3.45Å; Q156-M160 PolarHBondContact O-N 3.2Å
157I92.4Very high92.1Very high18 Ų1849.9 Ų49.99%0.09225%0.254CS..Hα-helixtrans-62.3-45175.8-69.5165.1000110.3Y48 L153 R154 E155 V159 M160 E161Y48-I157 HydrophobicContact CD2-CG1 4.12Å; Y48-I157 HydrophobicContact CG-CG1 4.31Å; L153-I157 WeakPolarHBondContact O-CB 3.49Å; L153-I157 VanDerWaalsContact O-CG1 3.23Å; L153-I157 WeakPolarHBondContact O-CG1 3.41Å; L153-I157 PolarHBondContact O-N 3.24Å; R154-I157 PolarHBondContact O-N 3.17Å; E155-I157 VanDerWaalsContact C-N 3.34Å; E155-I157 PolarHBondContact O-N 2.87Å; I157-V159 PolarHBondContact O-N 3.28Å; I157-M160 WeakPolarHBondContact O-CB 3.41Å; I157-M160 PolarHBondContact O-N 3Å; I157-E161 HydrophobicContact CG2-CG 4.37Å; I157-E161 WeakPolarHBondContact O-CG 3.19Å; I157-E161 PolarHBondContact O-N 3.47Å
158T93.6Very high91.7Very high88 Ų8851.8 Ų51.854%0.5426%0.257SS..Hα-helixtrans-60.9-46.9179.5-56.60000111.9R154 E155 M160 E161 L162R154-T158 WeakPolarHBondContact O-CB 3.25Å; R154-T158 PolarHBondContact O-N 2.93Å; R154-T158 PolarHBondContact O-OG1 2.76Å; E155-T158 WeakPolarHBondContact O-CB 3.47Å; E155-T158 PolarHBondContact O-N 3.01Å; E155-T158 VanDerWaalsContact O-N 3.16Å; T158-M160 VanDerWaalsContact C-N 3.3Å; T158-M160 PolarHBondContact O-N 3.31Å; T158-E161 PolarHBondContact O-N 2.92Å; T158-L162 PolarHBondContact O-N 2.94Å
159V93.4Very high91.5Very high38 Ų3852.9 Ų52.923%0.2326%0.257CS..Hα-helixtrans-63.9-39.8177.6175.60000110.7C16 L18 E155 I157 L162 N163C16-V159 HydrophobicContact CB-CG1 4.43Å; L18-V159 HydrophobicContact CB-CG1 4.25Å; E155-V159 WeakPolarHBondContact O-CG2 3.35Å; E155-V159 PolarHBondContact O-N 3.45Å; I157-V159 PolarHBondContact O-N 3.28Å; V159-L162 PolarHBondContact O-N 3.32Å; V159-N163 PolarHBondContact O-N 3.03Å; V159-N163 PolarHBondContact O-ND2 3.3Å
160M91Very high91.1Very high4 Ų454.5 Ų54.52%0.0226%0.263CS..Hα-helixtrans-61.5-48.7176.9-171.963.978.200112.2C16 F41 T44 M45 Y48 Q156 I157 T158 L162 N163 V164C16-M160 HydrophobicContact CB-CE 3.84Å; C16-M160 WeakPolarHBondContact SG-CE 3.49Å; C16-M160 VanDerWaalsContact SG-SD 3.68Å; F41-M160 HydrophobicContact CB-CG 4.42Å; F41-M160 HydrophobicContact CB-SD 3.52Å; F41-M160 VanDerWaalsContact CB-SD 3.52Å; F41-M160 HydrophobicContact CD1-CE 3.78Å; F41-M160 HydrophobicContact CD1-SD 3.02Å; F41-M160 WeakPolarHBondContact CD1-SD 3.44Å; F41-M160 HydrophobicContact CE1-CE 4.39Å; F41-M160 HydrophobicContact CE1-SD 3.83Å; F41-M160 HydrophobicContact CG-SD 3.51Å; F41-M160 VanDerWaalsContact CG-SD 3.51Å; T44-M160 HydrophobicContact CG2-CE 3.58Å; M45-M160 HydrophobicContact CB-CG 4.16Å; M45-M160 HydrophobicContact SD-CG 4.49Å; Y48-M160 HydrophobicContact CE2-CE 3.67Å; Q156-M160 WeakPolarHBondContact O-CB 3.45Å; Q156-M160 PolarHBondContact O-N 3.2Å; I157-M160 WeakPolarHBondContact O-CB 3.41Å; I157-M160 PolarHBondContact O-N 3Å; T158-M160 VanDerWaalsContact C-N 3.3Å; T158-M160 PolarHBondContact O-N 3.31Å; M160-L162 VanDerWaalsContact C-N 3.29Å; M160-L162 PolarHBondContact O-N 3.3Å; M160-N163 WeakPolarHBondContact O-CB 3.41Å; M160-N163 PolarHBondContact O-N 3.05Å; M160-V164 WeakPolarHBondContact O-CG2 3.33Å; M160-V164 PolarHBondContact O-N 2.75Å
161E90.8Very high90.6Very high102 Ų10256.3 Ų56.348%0.47728%0.275SS..Hα-helixtrans-60.3-40.9177.7-74.5-179.6162.100111.6M45 I157 T158 V164 A165M45-E161 HydrophobicContact SD-CG 3.82Å; I157-E161 HydrophobicContact CG2-CG 4.37Å; I157-E161 WeakPolarHBondContact O-CG 3.19Å; I157-E161 PolarHBondContact O-N 3.47Å; T158-E161 PolarHBondContact O-N 2.92Å; E161-V164 PolarHBondContact O-N 2.95Å; E161-A165 WeakPolarHBondContact O-CB 3.39Å; E161-A165 PolarHBondContact O-N 3.3Å
162L92Very high90.3Very high85 Ų8556.8 Ų56.845%0.44528%0.281SS..Hα-helixtrans-63.4-45.8175.4-177.958.8000111.7L18 T158 V159 M160 V164 A165 R166L18-L162 HydrophobicContact CD1-CD2 3.49Å; L18-L162 VanDerWaalsContact CD1-CD2 3.49Å; L18-L162 HydrophobicContact CD1-CG 3.91Å; T158-L162 PolarHBondContact O-N 2.94Å; V159-L162 PolarHBondContact O-N 3.32Å; M160-L162 VanDerWaalsContact C-N 3.29Å; M160-L162 PolarHBondContact O-N 3.3Å; L162-V164 PolarHBondContact O-N 3.12Å; L162-A165 PolarHBondContact O-N 2.75Å; L162-R166 HydrophobicContact CD1-CG 4.23Å; L162-R166 WeakPolarHBondContact O-CB 3.31Å; L162-R166 VanDerWaalsContact O-CG 3.24Å; L162-R166 WeakPolarHBondContact O-CG 3.28Å; L162-R166 PolarHBondContact O-N 3.21Å
163N90Very high90Very high1 Ų158.9 Ų58.91%0.00529%0.294CS..Hα-helixtrans-58.6-46.2175.9-78.4-24.6000111.6C16 N17 I19 V159 M160 R166 I167C16-N163 PolarHBondContact SG-ND2 2.86Å; C16-N163 VanDerWaalsContact SG-ND2 3.41Å; N17-N163 PolarHBondContact O-ND2 3.32Å; I19-N163 HydrophobicContact CD1-CB 4Å; I19-N163 PolarHBondContact N-OD1 3.28Å; V159-N163 PolarHBondContact O-N 3.03Å; V159-N163 PolarHBondContact O-ND2 3.3Å; M160-N163 WeakPolarHBondContact O-CB 3.41Å; M160-N163 PolarHBondContact O-N 3.05Å; N163-R166 PolarHBondContact O-N 3.21Å; N163-I167 VanDerWaalsContact O-CG1 3.31Å; N163-I167 WeakPolarHBondContact O-CG1 3.42Å; N163-I167 PolarHBondContact O-N 3.44Å
164V88.7Confident89.4Confident6 Ų660.8 Ų60.84%0.03631%0.31CS..Hα-helixtrans-61.8-45.7177.6171.70000111.3I38 F41 M160 E161 L162 R166 I167 R168I38-V164 HydrophobicContact CG2-CG1 4.39Å; F41-V164 HydrophobicContact CB-CG2 3.48Å; F41-V164 VanDerWaalsContact CB-CG2 3.48Å; F41-V164 HydrophobicContact CD2-CG2 4.26Å; F41-V164 HydrophobicContact CG-CG2 4.15Å; M160-V164 WeakPolarHBondContact O-CG2 3.33Å; M160-V164 PolarHBondContact O-N 2.75Å; E161-V164 PolarHBondContact O-N 2.95Å; L162-V164 PolarHBondContact O-N 3.12Å; V164-R166 VanDerWaalsContact C-N 3.34Å; V164-R166 PolarHBondContact O-N 3.28Å; V164-I167 PolarHBondContact O-N 3.5Å; V164-R168 HydrophobicContact CG1-CG 4.4Å; V164-R168 WeakPolarHBondContact O-CB 3.34Å; V164-R168 VanDerWaalsContact O-CG 3.3Å; V164-R168 WeakPolarHBondContact O-CG 3.49Å; V164-R168 PolarHBondContact O-N 2.92Å
165A89.9Confident88.7Confident44 Ų4458 Ų5836%0.36431%0.313SS..Hα-helixtrans-61.4-43177.900000111.9E161 L162 R168 N169E161-A165 WeakPolarHBondContact O-CB 3.39Å; E161-A165 PolarHBondContact O-N 3.3Å; L162-A165 PolarHBondContact O-N 2.75Å; A165-R168 PolarHBondContact O-N 2.82Å; A165-N169 WeakPolarHBondContact O-CB 3.35Å; A165-N169 VanDerWaalsContact O-CG 3.28Å; A165-N169 PolarHBondContact O-N 3.44Å
166R89.5Confident87.9Confident69 Ų6958 Ų5826%0.2632%0.316SS..Hα-helixtrans-62-45.3177.3-77.7-177.575.5-172.8-5.1112.1I19 E20 I22 L162 N163 V164 N169 Y170I19-R166 PolarHBondContact O-NH1 2.65Å; I19-R166 PolarHBondContact O-NH2 3.06Å; I19-R166 VanDerWaalsContact O-NH2 3.17Å; E20-R166 PolarHBondContact O-NH2 2.9Å; I22-R166 HydrophobicContact CD1-CB 3.65Å; I22-R166 HydrophobicContact CD1-CG 4.44Å; I22-R166 HydrophobicContact CG1-CB 4.39Å; L162-R166 HydrophobicContact CD1-CG 4.23Å; L162-R166 WeakPolarHBondContact O-CB 3.31Å; L162-R166 VanDerWaalsContact O-CG 3.24Å; L162-R166 WeakPolarHBondContact O-CG 3.28Å; L162-R166 PolarHBondContact O-N 3.21Å; N163-R166 PolarHBondContact O-N 3.21Å; V164-R166 VanDerWaalsContact C-N 3.34Å; V164-R166 PolarHBondContact O-N 3.28Å; R166-N169 PolarHBondContact O-N 2.96Å; R166-Y170 PolarHBondContact O-N 2.88Å
167I86.4Confident86.8Confident0 Ų064.2 Ų64.20%035%0.35CS..Hα-helixtrans-66.3-41.3176.7-65.4165.1000110.9I19 I22 I26 P34 A37 I38 F41 N163 V164 N169 Y170 V171I19-I167 HydrophobicContact CD1-CD1 4.07Å; I22-I167 HydrophobicContact CG2-CG1 4.06Å; I26-I167 HydrophobicContact CD1-CG2 4.47Å; P34-I167 HydrophobicContact CB-CG2 4Å; A37-I167 HydrophobicContact CB-CD1 4.38Å; I38-I167 HydrophobicContact CD1-CG2 3.98Å; I38-I167 HydrophobicContact CG1-CB 4.33Å; I38-I167 HydrophobicContact CG1-CG2 3.75Å; F41-I167 HydrophobicContact CD2-CD1 3.83Å; F41-I167 HydrophobicContact CE2-CD1 3.38Å; N163-I167 VanDerWaalsContact O-CG1 3.31Å; N163-I167 WeakPolarHBondContact O-CG1 3.42Å; N163-I167 PolarHBondContact O-N 3.44Å; V164-I167 PolarHBondContact O-N 3.5Å; I167-N169 VanDerWaalsContact C-N 3.34Å; I167-N169 PolarHBondContact O-N 3.33Å; I167-Y170 WeakPolarHBondContact O-CB 3.44Å; I167-Y170 PolarHBondContact O-N 3.04Å; I167-V171 VanDerWaalsContact O-CG2 3.3Å; I167-V171 WeakPolarHBondContact O-CG2 3.45Å; I167-V171 PolarHBondContact O-N 3.04Å
168R87.2Confident85Confident123 Ų12374.2 Ų74.246%0.46440%0.396SS..Hα-helixtrans-60-44.1175.2-74.9174.6179.81751.3111.6I38 E42 V164 A165 Y170 V171 V172I38-R168 HydrophobicContact CD1-CG 3.73Å; I38-R168 HydrophobicContact CG1-CG 4.47Å; E42-R168 IonicContact OE1-CZ 3.75Å; E42-R168 IonicContact OE1-NH2 3.99Å; E42-R168 PolarHBondContact OE1-NH2 2.91Å; V164-R168 HydrophobicContact CG1-CG 4.4Å; V164-R168 WeakPolarHBondContact O-CB 3.34Å; V164-R168 VanDerWaalsContact O-CG 3.3Å; V164-R168 WeakPolarHBondContact O-CG 3.49Å; V164-R168 PolarHBondContact O-N 2.92Å; A165-R168 PolarHBondContact O-N 2.82Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 2.79Å; R168-V171 PolarHBondContact O-N 2.89Å; R168-V172 WeakPolarHBondContact O-CG2 3.41Å; R168-V172 PolarHBondContact O-N 3.35Å
169N88.3Confident84.5Confident104 Ų10473.6 Ų73.656%0.55639%0.389SS*.Hα-helixtrans-62.4-42.8175.9-72.3-13.8000111.8A165 R166 I167 V171 V172 L173A165-N169 WeakPolarHBondContact O-CB 3.35Å; A165-N169 VanDerWaalsContact O-CG 3.28Å; A165-N169 PolarHBondContact O-N 3.44Å; R166-N169 PolarHBondContact O-N 2.96Å; I167-N169 VanDerWaalsContact C-N 3.34Å; I167-N169 PolarHBondContact O-N 3.33Å; N169-V171 PolarHBondContact O-N 3.35Å; N169-V172 PolarHBondContact O-N 3.1Å; N169-L173 WeakPolarHBondContact O-CG 3.31Å; N169-L173 PolarHBondContact O-N 2.94Å
170Y86.2Confident84.1Confident59 Ų5975.4 Ų75.423%0.23140%0.397CS..Hα-helixtrans-57.7-46.5175.5175.9-91.4000112.1I22 D23 I26 R166 I167 R168 V172 L173 A174I22-Y170 HydrophobicContact CG2-CD1 4.3Å; I22-Y170 HydrophobicContact CG2-CD2 4.13Å; I22-Y170 HydrophobicContact CG2-CG 3.8Å; D23-Y170 VanDerWaalsContact CG-CE2 3.41Å; D23-Y170 WeakPolarHBondContact OD1-CE2 3.42Å; D23-Y170 PolarHBondContact OD1-OH 3.08Å; D23-Y170 WeakPolarHBondContact OD2-CE2 3.5Å; I26-Y170 HydrophobicContact CD1-CD1 3.24Å; I26-Y170 HydrophobicContact CD1-CE1 3.34Å; I26-Y170 HydrophobicContact CD1-CG 4.03Å; R166-Y170 PolarHBondContact O-N 2.88Å; I167-Y170 WeakPolarHBondContact O-CB 3.44Å; I167-Y170 PolarHBondContact O-N 3.04Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 2.79Å; Y170-V172 VanDerWaalsContact C-N 3.3Å; Y170-V172 PolarHBondContact O-N 3.3Å; Y170-L173 PolarHBondContact O-N 3Å; Y170-A174 HydrophobicContact CE1-CB 4.48Å; Y170-A174 WeakPolarHBondContact O-CB 3.39Å; Y170-A174 PolarHBondContact O-N 3Å
171V83.7Confident83.7Confident49 Ų4979.4 Ų79.430%0.29742%0.418SS..Hα-helixtrans-57.5-43.5177.5173.10000111.9P34 I167 R168 N169 A175P34-V171 HydrophobicContact CB-CG2 3.13Å; P34-V171 HydrophobicContact CG-CG2 3.63Å; I167-V171 VanDerWaalsContact O-CG2 3.3Å; I167-V171 WeakPolarHBondContact O-CG2 3.45Å; I167-V171 PolarHBondContact O-N 3.04Å; R168-V171 PolarHBondContact O-N 2.89Å; N169-V171 PolarHBondContact O-N 3.35Å; V171-A175 WeakPolarHBondContact O-CB 3.49Å; V171-A175 PolarHBondContact O-N 3.35Å; V171-A175 VanDerWaalsContact O-N 3.13Å
172V86.7Confident83.3Confident85 Ų8578.1 Ų78.152%0.51542%0.415SS..Hα-helixtrans-67-42.8179.7173.90000111R168 N169 Y170 A175 L176R168-V172 WeakPolarHBondContact O-CG2 3.41Å; R168-V172 PolarHBondContact O-N 3.35Å; N169-V172 PolarHBondContact O-N 3.1Å; Y170-V172 VanDerWaalsContact C-N 3.3Å; Y170-V172 PolarHBondContact O-N 3.3Å; V172-A175 PolarHBondContact O-N 3.26Å; V172-L176 HydrophobicContact CG1-CD1 4.12Å; V172-L176 WeakPolarHBondContact O-CG 3.5Å; V172-L176 PolarHBondContact O-N 2.84Å
173L85.9Confident82.7Confident105 Ų10577.6 Ų77.655%0.5541%0.413SS..Hα-helixtrans-67.4-40178.8-70.8172000112.4N169 Y170 A175 L176 N177N169-L173 WeakPolarHBondContact O-CG 3.31Å; N169-L173 PolarHBondContact O-N 2.94Å; Y170-L173 PolarHBondContact O-N 3Å; L173-A175 VanDerWaalsContact C-N 3.34Å; L173-L176 PolarHBondContact O-N 3.12Å; L173-N177 PolarHBondContact O-N 3.5Å; L173-N177 PolarHBondContact O-ND2 3.4Å
174A80.9Confident82.2Confident40 Ų4082.7 Ų82.733%0.33144%0.44SS..Hα-helixtrans-61.4-43.8175.600000111.2Y170 L176 N177Y170-A174 HydrophobicContact CE1-CB 4.48Å; Y170-A174 WeakPolarHBondContact O-CB 3.39Å; Y170-A174 PolarHBondContact O-N 3Å; A174-L176 VanDerWaalsContact C-N 3.25Å; A174-L176 PolarHBondContact O-N 3.14Å; A174-N177 PolarHBondContact O-N 3.33Å
175A79.3Confident81.8Confident64 Ų6488.2 Ų88.253%0.52947%0.469SS..Hα-helixtrans-69.4-17.5178.300000114.5V171 V172 L173V171-A175 WeakPolarHBondContact O-CB 3.49Å; V171-A175 PolarHBondContact O-N 3.35Å; V171-A175 VanDerWaalsContact O-N 3.13Å; V172-A175 PolarHBondContact O-N 3.26Å; L173-A175 VanDerWaalsContact C-N 3.34Å
176L76.8Confident81.2Confident122 Ų12291.6 Ų91.664%0.63948%0.477SS*.Hα-helixtrans-86.2-18.2175.1-76.1165.9000113V172 L173 A174V172-L176 HydrophobicContact CG1-CD1 4.12Å; V172-L176 WeakPolarHBondContact O-CG 3.5Å; V172-L176 PolarHBondContact O-N 2.84Å; L173-L176 PolarHBondContact O-N 3.12Å; A174-L176 VanDerWaalsContact C-N 3.25Å; A174-L176 PolarHBondContact O-N 3.14Å
177N69.1Low80.5Confident143 Ų14393.5 Ų93.577%0.76550%0.495SS*.  trans-100.60.8-177.3-68.6-27.7000113L173 A174L173-N177 PolarHBondContact O-N 3.5Å; L173-N177 PolarHBondContact O-ND2 3.4Å; A174-N177 PolarHBondContact O-N 3.33Å
178E55.1Low79.9Confident228 Ų228102 Ų102100%1.06554%0.54SS*.  trans-98.50168.5-71.9-176.7163.100111.1

Retrieved 178 of 178 residues in 84.2 ms (Link to these results)

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