A0A087XSJ9_POEFO Loading...

Baculoviral IAP repeat containing 5b

AlphaFold DB , UniProt , Accession A0A087XSJ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 148 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
1M57.5Low84.6Confident164 Ų16457.6 Ų57.681%0.80831%0.314SS*.  0112.90-158.9-172.144.900110.6K125M1-K125 VanDerWaalsContact C-NZ 3.32Å; M1-K125 HydrophobicContact CE-CD 4.08Å; M1-K125 PolarHBondContact O-NZ 2.96Å; M1-K125 VanDerWaalsContact O-NZ 3.1Å; M1-K125 HydrophobicContact SD-CD 4.25Å; M1-K125 PolarHBondContact SD-NZ 3.02Å; M1-K125 VanDerWaalsContact SD-NZ 3.4Å
2E71.2Confident85.1Confident22 Ų2262.8 Ų62.810%0.10334%0.337CS..  trans-68145.8-163.3-64-177.9-168.600116.3V6 R10 K125E2-V6 HydrophobicContact CB-CB 4.24Å; E2-V6 HydrophobicContact CB-CG1 4.17Å; E2-V6 HydrophobicContact CG-CG1 4.27Å; E2-V6 WeakPolarHBondContact OE2-CG1 3.29Å; E2-R10 IonicContact OE1-CZ 3.83Å; E2-R10 IonicContact OE1-NH1 3.9Å; E2-R10 PolarHBondContact OE1-NH1 3.27Å; E2-R10 IonicContact OE1-NH2 2.93Å; E2-R10 PolarHBondContact OE1-NH2 3.23Å; E2-R10 IonicContact OE2-CZ 2.9Å; E2-R10 IonicContact OE2-NE 3.29Å; E2-R10 PolarHBondContact OE2-NE 3.48Å; E2-R10 IonicContact OE2-NH1 2.61Å; E2-R10 PolarHBondContact OE2-NH1 3.06Å; E2-R10 IonicContact OE2-NH2 2.61Å; E2-R10 PolarHBondContact OE2-NH2 3.32Å; E2-K125 WeakPolarHBondContact O-CE 3.25Å; E2-K125 PolarHBondContact O-NZ 2.92Å
3S84.9Confident85.6Confident43 Ų4363.1 Ų63.130%0.30134%0.342SS..  trans-69.9163.5179.174.70000112.3D5 V6 L7S3-D5 PolarHBondContact O-N 3.21Å; S3-D5 PolarHBondContact OG-N 3.23Å; S3-V6 PolarHBondContact O-N 3.5Å; S3-V6 WeakPolarHBondContact OG-CG2 3.23Å; S3-V6 PolarHBondContact OG-N 3.13Å; S3-L7 PolarHBondContact O-N 2.96Å; S3-L7 VanDerWaalsContact O-N 3.09Å
4V88.8Confident86.3Confident32 Ų3258.9 Ų58.919%0.19432%0.319CS..Hα-helixtrans-56.1-36.8172.41640000111.4L7 T8 I122 K125 Y129V4-L7 PolarHBondContact O-N 3.41Å; V4-T8 WeakPolarHBondContact O-CB 3.46Å; V4-T8 PolarHBondContact O-N 3.48Å; V4-T8 PolarHBondContact O-OG1 3.37Å; V4-I122 HydrophobicContact CB-CD1 4.47Å; V4-I122 HydrophobicContact CG1-CD1 4.14Å; V4-I122 HydrophobicContact CG2-CD1 4.43Å; V4-K125 HydrophobicContact CG2-CG 4.18Å; V4-Y129 HydrophobicContact CG2-CE2 4.26Å
5D89.8Confident86.6Confident118 Ų11859 Ų5963%0.63132%0.32SS*.Hα-helixtrans-68.1-40.3-179.9-59.5-34.8000112.1S3 T8 T9S3-D5 PolarHBondContact O-N 3.21Å; S3-D5 PolarHBondContact OG-N 3.23Å; D5-T8 PolarHBondContact O-N 3.07Å; D5-T9 WeakPolarHBondContact O-CB 3.46Å; D5-T9 PolarHBondContact O-N 3.01Å; D5-T9 PolarHBondContact O-OG1 3.48Å
6V87.9Confident86.9Confident56 Ų5663.8 Ų63.834%0.33934%0.336SS..Hα-helixtrans-64.8-48.21761770000110.2E2 S3 T8 T9 R10E2-V6 HydrophobicContact CB-CB 4.24Å; E2-V6 HydrophobicContact CB-CG1 4.17Å; E2-V6 HydrophobicContact CG-CG1 4.27Å; E2-V6 WeakPolarHBondContact OE2-CG1 3.29Å; S3-V6 PolarHBondContact O-N 3.5Å; S3-V6 WeakPolarHBondContact OG-CG2 3.23Å; S3-V6 PolarHBondContact OG-N 3.13Å; V6-T8 VanDerWaalsContact C-N 3.27Å; V6-T8 PolarHBondContact O-N 3.41Å; V6-T9 PolarHBondContact O-N 3.38Å; V6-R10 WeakPolarHBondContact O-CG 3.44Å; V6-R10 PolarHBondContact O-N 3.4Å
7L87.5Confident87.4Confident13 Ų1361.9 Ų61.97%0.06833%0.326CS..Hα-helixtrans-59.1-39.2177.2-70.5174.9000112.3S3 V4 Y11 I122S3-L7 PolarHBondContact O-N 2.96Å; S3-L7 VanDerWaalsContact O-N 3.09Å; V4-L7 PolarHBondContact O-N 3.41Å; L7-Y11 WeakPolarHBondContact O-CB 3.36Å; L7-Y11 PolarHBondContact O-N 2.96Å; L7-I122 HydrophobicContact CB-CD1 3.73Å; L7-I122 HydrophobicContact CD1-CD1 3.95Å
8T91.4Very high87.6Confident40 Ų4059.1 Ų59.125%0.24531%0.31CS..Hα-helixtrans-66.7-45.8177.2-58.40000111.3V4 D5 V6 R10 Y11 M12 Y118V4-T8 WeakPolarHBondContact O-CB 3.46Å; V4-T8 PolarHBondContact O-N 3.48Å; V4-T8 PolarHBondContact O-OG1 3.37Å; D5-T8 PolarHBondContact O-N 3.07Å; V6-T8 VanDerWaalsContact C-N 3.27Å; V6-T8 PolarHBondContact O-N 3.41Å; T8-R10 VanDerWaalsContact C-N 3.34Å; T8-R10 PolarHBondContact O-N 3.35Å; T8-Y11 PolarHBondContact O-N 3.09Å; T8-M12 VanDerWaalsContact O-CG 3.26Å; T8-M12 WeakPolarHBondContact O-CG 3.48Å; T8-M12 PolarHBondContact O-N 3.17Å; T8-Y118 WeakPolarHBondContact CB-OH 3.43Å; T8-Y118 PolarHBondContact OG1-OH 2.79Å
9T91.7Very high87.9Confident88 Ų8857.3 Ų57.354%0.5430%0.303SS..Hα-helixtrans-60.9-44.1177.7-57.90000111.3D5 V6 M12 T13D5-T9 WeakPolarHBondContact O-CB 3.46Å; D5-T9 PolarHBondContact O-N 3.01Å; D5-T9 PolarHBondContact O-OG1 3.48Å; V6-T9 PolarHBondContact O-N 3.38Å; T9-M12 PolarHBondContact O-N 3.17Å; T9-T13 WeakPolarHBondContact O-CG2 3.42Å; T9-T13 PolarHBondContact O-N 3.3Å; T9-T13 VanDerWaalsContact O-N 3.15Å; T9-T13 PolarHBondContact O-OG1 2.8Å
10R89.9Confident88.2Confident25 Ų2557.5 Ų57.59%0.09430%0.302CS..Hα-helixtrans-60.8-51.8175.5-74.2-179.8-179.8-175.56.2111.9E2 V6 T8 M12 T13 F14 C51 E68E2-R10 IonicContact OE1-CZ 3.83Å; E2-R10 IonicContact OE1-NH1 3.9Å; E2-R10 PolarHBondContact OE1-NH1 3.27Å; E2-R10 IonicContact OE1-NH2 2.93Å; E2-R10 PolarHBondContact OE1-NH2 3.23Å; E2-R10 IonicContact OE2-CZ 2.9Å; E2-R10 IonicContact OE2-NE 3.29Å; E2-R10 PolarHBondContact OE2-NE 3.48Å; E2-R10 IonicContact OE2-NH1 2.61Å; E2-R10 PolarHBondContact OE2-NH1 3.06Å; E2-R10 IonicContact OE2-NH2 2.61Å; E2-R10 PolarHBondContact OE2-NH2 3.32Å; V6-R10 WeakPolarHBondContact O-CG 3.44Å; V6-R10 PolarHBondContact O-N 3.4Å; T8-R10 VanDerWaalsContact C-N 3.34Å; T8-R10 PolarHBondContact O-N 3.35Å; R10-M12 VanDerWaalsContact C-N 3.26Å; R10-M12 PolarHBondContact O-N 2.96Å; R10-T13 PolarHBondContact O-N 2.94Å; R10-T13 VanDerWaalsContact O-N 3.08Å; R10-T13 PolarHBondContact O-OG1 2.83Å; R10-T13 VanDerWaalsContact O-OG1 3.11Å; R10-F14 HydrophobicContact CB-CD2 4.26Å; R10-F14 HydrophobicContact CB-CE1 4.23Å; R10-F14 HydrophobicContact CB-CE2 3.93Å; R10-F14 HydrophobicContact CB-CZ 3.92Å; R10-F14 HydrophobicContact CG-CE1 4.29Å; R10-F14 HydrophobicContact CG-CE2 4.38Å; R10-F14 HydrophobicContact CG-CZ 3.95Å; R10-F14 WeakPolarHBondContact O-CB 3.33Å; R10-F14 VanDerWaalsContact O-CD1 3.31Å; R10-F14 WeakPolarHBondContact O-CD1 3.48Å; R10-F14 WeakPolarHBondContact O-CG 3.43Å; R10-F14 PolarHBondContact O-N 3.25Å; R10-C51 VanDerWaalsContact CZ-CB 3.42Å; R10-C51 PolarHBondContact NH2-O 3.5Å; R10-E68 IonicContact CZ-OE1 3.18Å; R10-E68 IonicContact NH1-OE1 3.49Å; R10-E68 PolarHBondContact NH1-OE1 3.49Å
11Y90.5Very high88.5Confident33 Ų3359.4 Ų59.413%0.12931%0.312CS..Hα-helixtrans-52.6-45.9178.5174.1-99.3000112.3L7 T8 T13 R114 L115 Y118L7-Y11 WeakPolarHBondContact O-CB 3.36Å; L7-Y11 PolarHBondContact O-N 2.96Å; T8-Y11 PolarHBondContact O-N 3.09Å; Y11-T13 VanDerWaalsContact C-N 3.32Å; Y11-T13 PolarHBondContact O-N 3.45Å; Y11-R114 HydrophobicContact CE2-CB 4.4Å; Y11-R114 PolarHBondContact O-NH2 3.24Å; Y11-L115 HydrophobicContact CE1-CD1 4.39Å; Y11-L115 WeakPolarHBondContact OH-CB 3.3Å; Y11-L115 WeakPolarHBondContact OH-CD1 3.31Å; Y11-Y118 HydrophobicContact CD1-CD1 4.06Å; Y11-Y118 HydrophobicContact CD1-CD2 4.46Å; Y11-Y118 HydrophobicContact CD1-CE1 4.17Å; Y11-Y118 HydrophobicContact CD1-CG 4.21Å; Y11-Y118 HydrophobicContact CD2-CD1 4.15Å; Y11-Y118 HydrophobicContact CD2-CD2 4.04Å; Y11-Y118 AromaticContact CD2-CG 3.63Å; Y11-Y118 HydrophobicContact CD2-CG 3.63Å; Y11-Y118 HydrophobicContact CE1-CD1 4.31Å; Y11-Y118 HydrophobicContact CE2-CD1 4.38Å; Y11-Y118 HydrophobicContact CE2-CG 4.18Å; Y11-Y118 AromaticContact CG-CD1 3.98Å; Y11-Y118 HydrophobicContact CG-CD1 3.98Å; Y11-Y118 AromaticContact CG-CD2 3.74Å; Y11-Y118 HydrophobicContact CG-CD2 3.74Å; Y11-Y118 HydrophobicContact CG-CE1 4.37Å; Y11-Y118 HydrophobicContact CG-CE2 4.15Å; Y11-Y118 AromaticContact CG-CG 3.65Å; Y11-Y118 HydrophobicContact CG-CG 3.65Å
12M89.9Confident90.4Very high119 Ų11954.7 Ų54.759%0.58629%0.29SS*.Hα-helixtrans-71.8-20.2-178-66.2-62.1178.200114.7T8 T9 R10 D15T8-M12 VanDerWaalsContact O-CG 3.26Å; T8-M12 WeakPolarHBondContact O-CG 3.48Å; T8-M12 PolarHBondContact O-N 3.17Å; T9-M12 PolarHBondContact O-N 3.17Å; R10-M12 VanDerWaalsContact C-N 3.26Å; R10-M12 PolarHBondContact O-N 2.96Å; M12-D15 VanDerWaalsContact O-OD1 3.09Å
13T92.3Very high91.6Very high67 Ų6754.1 Ų54.141%0.41129%0.287SS..Hα-helixtrans-102.5-19.2-179.151.50000112.9T9 R10 Y11 D15T9-T13 WeakPolarHBondContact O-CG2 3.42Å; T9-T13 PolarHBondContact O-N 3.3Å; T9-T13 VanDerWaalsContact O-N 3.15Å; T9-T13 PolarHBondContact O-OG1 2.8Å; R10-T13 PolarHBondContact O-N 2.94Å; R10-T13 VanDerWaalsContact O-N 3.08Å; R10-T13 PolarHBondContact O-OG1 2.83Å; R10-T13 VanDerWaalsContact O-OG1 3.11Å; Y11-T13 VanDerWaalsContact C-N 3.32Å; Y11-T13 PolarHBondContact O-N 3.45Å; T13-D15 VanDerWaalsContact C-N 3.26Å; T13-D15 VanDerWaalsContact C-OD1 3.29Å; T13-D15 PolarHBondContact O-N 3.13Å
14F95.1Very high92.2Very high5 Ų555.6 Ų55.62%0.02229%0.289CS..G310 helixtrans-78.4-8.2-178.7-75.74000113.2R10 K16 M17 V49 C61 F63 L66 R114R10-F14 HydrophobicContact CB-CD2 4.26Å; R10-F14 HydrophobicContact CB-CE1 4.23Å; R10-F14 HydrophobicContact CB-CE2 3.93Å; R10-F14 HydrophobicContact CB-CZ 3.92Å; R10-F14 HydrophobicContact CG-CE1 4.29Å; R10-F14 HydrophobicContact CG-CE2 4.38Å; R10-F14 HydrophobicContact CG-CZ 3.95Å; R10-F14 WeakPolarHBondContact O-CB 3.33Å; R10-F14 VanDerWaalsContact O-CD1 3.31Å; R10-F14 WeakPolarHBondContact O-CD1 3.48Å; R10-F14 WeakPolarHBondContact O-CG 3.43Å; R10-F14 PolarHBondContact O-N 3.25Å; F14-K16 PolarHBondContact O-N 3.03Å; F14-M17 HydrophobicContact CB-CB 4.48Å; F14-M17 HydrophobicContact CB-CG 4.37Å; F14-M17 HydrophobicContact CD1-CG 3.93Å; F14-M17 HydrophobicContact CG-CG 4.39Å; F14-M17 WeakPolarHBondContact O-CB 3.4Å; F14-M17 PolarHBondContact O-N 3.44Å; F14-V49 HydrophobicContact CE1-CB 4.11Å; F14-V49 HydrophobicContact CE1-CG1 3.9Å; F14-V49 HydrophobicContact CE1-CG2 4.23Å; F14-V49 HydrophobicContact CZ-CB 4.09Å; F14-V49 HydrophobicContact CZ-CG1 4.31Å; F14-V49 HydrophobicContact CZ-CG2 4.36Å; F14-C61 HydrophobicContact CE2-CB 4.25Å; F14-C61 HydrophobicContact CZ-CB 4.18Å; F14-F63 HydrophobicContact CB-CB 4.12Å; F14-F63 HydrophobicContact CD2-CB 3.96Å; F14-F63 HydrophobicContact CG-CB 4.05Å; F14-L66 HydrophobicContact CD2-CD2 3.62Å; F14-L66 HydrophobicContact CE2-CD2 3.84Å; F14-R114 PolarHBondContact O-NH1 2.76Å; F14-R114 PolarHBondContact O-NH2 3Å
15D90.1Very high92.7Very high60 Ų6059.2 Ų59.232%0.32130%0.304SS..G310 helixtrans-54.8-31.6169.269.6-50000112.1M12 T13 Y18M12-D15 VanDerWaalsContact O-OD1 3.09Å; T13-D15 VanDerWaalsContact C-N 3.26Å; T13-D15 VanDerWaalsContact C-OD1 3.29Å; T13-D15 PolarHBondContact O-N 3.13Å; D15-Y18 VanDerWaalsContact O-CD2 3.31Å; D15-Y18 WeakPolarHBondContact O-CD2 3.47Å
16K91.9Very high93Very high135 Ų13555 Ų5559%0.58728%0.284SS*.G310 helixtrans-81-16.9176.3-62.7174.2-172175.20113.5F14 Y18 S19 L22F14-K16 PolarHBondContact O-N 3.03Å; K16-Y18 PolarHBondContact O-N 3.18Å; K16-Y18 VanDerWaalsContact O-N 3.14Å; K16-S19 PolarHBondContact O-N 3.04Å; K16-L22 HydrophobicContact CB-CD1 3.95Å
17M95.2Very high93.5Very high32 Ų3252.4 Ų52.416%0.15827%0.268CS..G310 helixtrans-80.810.2-171.4-62-62.3155.800113.3F14 L22 R23 V49 F63F14-M17 HydrophobicContact CB-CB 4.48Å; F14-M17 HydrophobicContact CB-CG 4.37Å; F14-M17 HydrophobicContact CD1-CG 3.93Å; F14-M17 HydrophobicContact CG-CG 4.39Å; F14-M17 WeakPolarHBondContact O-CB 3.4Å; F14-M17 PolarHBondContact O-N 3.44Å; M17-L22 HydrophobicContact CE-CB 4.4Å; M17-L22 HydrophobicContact SD-CB 4Å; M17-R23 HydrophobicContact CB-CG 4Å; M17-R23 VanDerWaalsContact O-CD 3.23Å; M17-R23 WeakPolarHBondContact O-CD 3.36Å; M17-R23 WeakPolarHBondContact O-CG 3.49Å; M17-R23 PolarHBondContact O-NH1 3.21Å; M17-R23 HydrophobicContact SD-CG 4.14Å; M17-V49 HydrophobicContact CB-CG2 4.12Å; M17-V49 HydrophobicContact CG-CG2 3.89Å; M17-V49 HydrophobicContact SD-CG1 4.44Å; M17-V49 HydrophobicContact SD-CG2 4.09Å; M17-F63 HydrophobicContact CB-CB 3.53Å; M17-F63 HydrophobicContact CB-CD2 3.91Å; M17-F63 HydrophobicContact CB-CG 3.78Å; M17-F63 HydrophobicContact CG-CB 4.39Å
18Y92.3Very high93.9Very high12 Ų1260.7 Ų60.75%0.04730%0.298CS..G310 helixtrans-62.8-31.2158.8-76-82.2000111.9D15 K16 H20 R23 F63 F99 Y107 M110 E111D15-Y18 VanDerWaalsContact O-CD2 3.31Å; D15-Y18 WeakPolarHBondContact O-CD2 3.47Å; K16-Y18 PolarHBondContact O-N 3.18Å; K16-Y18 VanDerWaalsContact O-N 3.14Å; Y18-H20 PolarHBondContact O-N 3.45Å; Y18-R23 VanDerWaalsContact C-NH1 3.33Å; Y18-R23 PolarHBondContact O-NH1 3.11Å; Y18-F63 AromaticContact CD1-CE2 3.79Å; Y18-F63 HydrophobicContact CD1-CE2 3.79Å; Y18-F63 AromaticContact CD1-CZ 3.98Å; Y18-F63 HydrophobicContact CD1-CZ 3.98Å; Y18-F63 HydrophobicContact CD2-CE2 4.06Å; Y18-F63 AromaticContact CE1-CE2 3.84Å; Y18-F63 HydrophobicContact CE1-CE2 3.84Å; Y18-F63 HydrophobicContact CE1-CZ 4.16Å; Y18-F63 HydrophobicContact CE2-CE2 4.11Å; Y18-F63 AromaticContact CG-CE2 3.9Å; Y18-F63 HydrophobicContact CG-CE2 3.9Å; Y18-F63 HydrophobicContact CG-CZ 4.39Å; Y18-F63 AromaticContact CZ-CE2 3.99Å; Y18-F99 HydrophobicContact CD1-CB 4.07Å; Y18-F99 HydrophobicContact CG-CB 4.25Å; Y18-F99 VanDerWaalsContact O-CD1 3.26Å; Y18-F99 WeakPolarHBondContact O-CD1 3.32Å; Y18-Y107 AromaticContact CD2-CE2 3.84Å; Y18-Y107 HydrophobicContact CD2-CE2 3.84Å; Y18-Y107 HydrophobicContact CE2-CD2 4.32Å; Y18-Y107 AromaticContact CE2-CE2 3.6Å; Y18-Y107 HydrophobicContact CE2-CE2 3.6Å; Y18-M110 HydrophobicContact CE1-CE 3.75Å; Y18-M110 HydrophobicContact CE1-SD 4.32Å; Y18-E111 WeakPolarHBondContact CE2-OE1 3.29Å; Y18-E111 PolarHBondContact OH-OE1 3.42Å
19S92.4Very high93.9Very high24 Ų2465.4 Ų65.417%0.16832%0.322CS..SBendtrans-66.2119.7172.5172.70000110.8K16 D21 L22 R23K16-S19 PolarHBondContact O-N 3.04Å; S19-D21 VanDerWaalsContact C-N 3.33Å; S19-D21 PolarHBondContact O-N 2.99Å; S19-L22 PolarHBondContact O-N 3.42Å; S19-L22 PolarHBondContact OG-N 3.26Å; S19-R23 WeakPolarHBondContact O-CG 3.43Å; S19-R23 PolarHBondContact O-N 3.08Å
20H94.1Very high94.2Very high61 Ų6161.4 Ų61.428%0.28230%0.297SS..Hα-helixtrans-56.2-48.5173.5178.9-83.2000111.5Y18 L22 R23 E24Y18-H20 PolarHBondContact O-N 3.45Å; H20-L22 VanDerWaalsContact C-N 3.3Å; H20-L22 PolarHBondContact O-N 3.45Å; H20-R23 WeakPolarHBondContact O-CA 3.49Å; H20-R23 WeakPolarHBondContact O-CB 3.36Å; H20-R23 PolarHBondContact O-N 3.5Å; H20-E24 IonicContact CE1-OE2 2.77Å; H20-E24 PolarHBondContact CE1-OE2 3.44Å; H20-E24 VanDerWaalsContact CE1-OE2 3.29Å; H20-E24 IonicContact ND1-OE2 2.86Å; H20-E24 PolarHBondContact O-N 2.99Å
21D95.3Very high94.4Very high98 Ų9864.2 Ų64.252%0.52432%0.318SS..Hα-helixtrans-59.8-39.7-177.7-58.9-9000112.2S19 R23 E24 Q25S19-D21 VanDerWaalsContact C-N 3.33Å; S19-D21 PolarHBondContact O-N 2.99Å; D21-R23 VanDerWaalsContact C-N 3.34Å; D21-E24 PolarHBondContact O-N 3.29Å; D21-Q25 VanDerWaalsContact O-CB 3.29Å; D21-Q25 WeakPolarHBondContact O-CB 3.48Å; D21-Q25 WeakPolarHBondContact O-CG 3.38Å; D21-Q25 PolarHBondContact O-N 2.94Å; D21-Q25 PolarHBondContact O-NE2 3.41Å
22L96.2Very high94.6Very high66 Ų6664.3 Ų64.335%0.34632%0.32SS..Hα-helixtrans-66.9-35.6176.2-69-178000112.2K16 M17 S19 H20 S26K16-L22 HydrophobicContact CB-CD1 3.95Å; M17-L22 HydrophobicContact CE-CB 4.4Å; M17-L22 HydrophobicContact SD-CB 4Å; S19-L22 PolarHBondContact O-N 3.42Å; S19-L22 PolarHBondContact OG-N 3.26Å; H20-L22 VanDerWaalsContact C-N 3.3Å; H20-L22 PolarHBondContact O-N 3.45Å; L22-S26 PolarHBondContact O-N 3.36Å
23R97.3Very high94.8Very high10 Ų1064.4 Ų64.44%0.03831%0.314CS..Hα-helixtrans-65.2-48.4173.5-65.9-164.9-58.9-81.7-0.3110.7M17 Y18 S19 H20 D21 Q25 S26 F27 A44 V49M17-R23 HydrophobicContact CB-CG 4Å; M17-R23 VanDerWaalsContact O-CD 3.23Å; M17-R23 WeakPolarHBondContact O-CD 3.36Å; M17-R23 WeakPolarHBondContact O-CG 3.49Å; M17-R23 PolarHBondContact O-NH1 3.21Å; M17-R23 HydrophobicContact SD-CG 4.14Å; Y18-R23 VanDerWaalsContact C-NH1 3.33Å; Y18-R23 PolarHBondContact O-NH1 3.11Å; S19-R23 WeakPolarHBondContact O-CG 3.43Å; S19-R23 PolarHBondContact O-N 3.08Å; H20-R23 WeakPolarHBondContact O-CA 3.49Å; H20-R23 WeakPolarHBondContact O-CB 3.36Å; H20-R23 PolarHBondContact O-N 3.5Å; D21-R23 VanDerWaalsContact C-N 3.34Å; R23-Q25 VanDerWaalsContact C-N 3.33Å; R23-Q25 PolarHBondContact O-N 3.49Å; R23-S26 WeakPolarHBondContact O-CB 3.48Å; R23-S26 PolarHBondContact O-N 2.96Å; R23-S26 VanDerWaalsContact O-N 3.09Å; R23-S26 PolarHBondContact O-OG 3.4Å; R23-F27 VanDerWaalsContact O-CD2 3.28Å; R23-F27 WeakPolarHBondContact O-CD2 3.44Å; R23-A44 HydrophobicContact CB-CB 3.79Å; R23-A44 VanDerWaalsContact CZ-O 3.32Å; R23-A44 PolarHBondContact NE-O 3.43Å; R23-A44 PolarHBondContact NH2-O 3.38Å; R23-V49 HydrophobicContact CG-CG2 4.04Å
24E97.8Very high94.8Very high74 Ų7469.6 Ų69.635%0.34633%0.333SS..Hα-helixtrans-61.3-42.3179.2-169.9177.9159.900111.8H20 D21 S26 F27 P40 A44H20-E24 IonicContact CE1-OE2 2.77Å; H20-E24 PolarHBondContact CE1-OE2 3.44Å; H20-E24 VanDerWaalsContact CE1-OE2 3.29Å; H20-E24 IonicContact ND1-OE2 2.86Å; H20-E24 PolarHBondContact O-N 2.99Å; D21-E24 PolarHBondContact O-N 3.29Å; E24-S26 PolarHBondContact O-N 3.15Å; E24-S26 VanDerWaalsContact O-N 3.12Å; E24-F27 PolarHBondContact O-N 2.94Å; E24-F27 VanDerWaalsContact O-N 3.11Å; E24-P40 HydrophobicContact CG-CB 4.1Å; E24-A44 HydrophobicContact CB-CB 3.81Å
25Q97.5Very high94.6Very high107 Ų10778.8 Ų78.850%0.538%0.376SS..THydrogen-bonded Turntrans-63.6-15.4176.5-74.9170.544.400114.5D21 R23 F27 R28D21-Q25 VanDerWaalsContact O-CB 3.29Å; D21-Q25 WeakPolarHBondContact O-CB 3.48Å; D21-Q25 WeakPolarHBondContact O-CG 3.38Å; D21-Q25 PolarHBondContact O-N 2.94Å; D21-Q25 PolarHBondContact O-NE2 3.41Å; R23-Q25 VanDerWaalsContact C-N 3.33Å; R23-Q25 PolarHBondContact O-N 3.49Å; Q25-F27 VanDerWaalsContact C-N 3.31Å; Q25-R28 VanDerWaalsContact O-CG 3.24Å; Q25-R28 WeakPolarHBondContact O-CG 3.35Å; Q25-R28 PolarHBondContact O-NE 3.33Å
26S97.8Very high95Very high30 Ų3077.2 Ų77.221%0.2137%0.369CS..THydrogen-bonded Turntrans-70.5-28.4174.673.60000112.3L22 R23 E24 R28 H50L22-S26 PolarHBondContact O-N 3.36Å; R23-S26 WeakPolarHBondContact O-CB 3.48Å; R23-S26 PolarHBondContact O-N 2.96Å; R23-S26 VanDerWaalsContact O-N 3.09Å; R23-S26 PolarHBondContact O-OG 3.4Å; E24-S26 PolarHBondContact O-N 3.15Å; E24-S26 VanDerWaalsContact O-N 3.12Å; S26-R28 PolarHBondContact O-N 3.14Å; S26-H50 WeakPolarHBondContact O-CB 3.26Å; S26-H50 PolarHBondContact OG-N 2.95Å
27F97.9Very high95.2Very high2 Ų273 Ų731%0.00935%0.353CS..  trans-81.947.1-176.4-69-87.7000113.1R23 E24 Q25 W30 R33 P40 M43 F48 H50 A60R23-F27 VanDerWaalsContact O-CD2 3.28Å; R23-F27 WeakPolarHBondContact O-CD2 3.44Å; E24-F27 PolarHBondContact O-N 2.94Å; E24-F27 VanDerWaalsContact O-N 3.11Å; Q25-F27 VanDerWaalsContact C-N 3.31Å; F27-W30 HydrophobicContact CB-CB 3.8Å; F27-W30 HydrophobicContact CB-CG 4.35Å; F27-W30 HydrophobicContact CD1-CB 3.93Å; F27-W30 AromaticContact CD1-CD2 3.52Å; F27-W30 HydrophobicContact CD1-CD2 3.52Å; F27-W30 AromaticContact CD1-CE3 3.59Å; F27-W30 HydrophobicContact CD1-CE3 3.59Å; F27-W30 AromaticContact CD1-CG 3.67Å; F27-W30 HydrophobicContact CD1-CG 3.67Å; F27-W30 HydrophobicContact CD1-CZ3 4.25Å; F27-W30 AromaticContact CE1-CD2 3.98Å; F27-W30 HydrophobicContact CE1-CD2 3.98Å; F27-W30 AromaticContact CE1-CE3 3.85Å; F27-W30 HydrophobicContact CE1-CE3 3.85Å; F27-W30 HydrophobicContact CE1-CH2 4.37Å; F27-W30 HydrophobicContact CE1-CZ2 4.5Å; F27-W30 HydrophobicContact CE1-CZ3 4.03Å; F27-W30 HydrophobicContact CG-CB 4.38Å; F27-W30 HydrophobicContact CG-CG 4.46Å; F27-R33 PolarHBondContact O-NH2 2.92Å; F27-P40 HydrophobicContact CB-CB 3.73Å; F27-P40 HydrophobicContact CB-CG 3.9Å; F27-P40 HydrophobicContact CG-CB 4.24Å; F27-M43 HydrophobicContact CD1-CB 4.42Å; F27-M43 HydrophobicContact CD2-CB 4.43Å; F27-M43 HydrophobicContact CE1-CB 3.77Å; F27-M43 HydrophobicContact CE1-CE 3.71Å; F27-M43 HydrophobicContact CE1-CG 3.97Å; F27-M43 HydrophobicContact CE2-CB 3.78Å; F27-M43 HydrophobicContact CZ-CB 3.44Å; F27-M43 VanDerWaalsContact CZ-CB 3.44Å; F27-M43 HydrophobicContact CZ-CE 3.93Å; F27-M43 HydrophobicContact CZ-CG 4.13Å; F27-F48 WeakPolarHBondContact CE2-O 3.42Å; F27-F48 HydrophobicContact CZ-CB 3.98Å; F27-H50 HydrophobicContact CB-CB 4.43Å; F27-H50 HydrophobicContact CD1-CB 3.58Å; F27-H50 AromaticContact CD1-CG 3.98Å; F27-H50 HydrophobicContact CD2-CB 4.29Å; F27-H50 HydrophobicContact CE1-CB 3.72Å; F27-H50 HydrophobicContact CE2-CB 4.41Å; F27-H50 HydrophobicContact CG-CB 3.85Å; F27-H50 HydrophobicContact CZ-CB 4.12Å; F27-A60 HydrophobicContact CE1-CB 4.43Å
28R94.5Very high95.3Very high187 Ų18771.5 Ų71.571%0.70635%0.346SS*.THydrogen-bonded Turntrans-65.9-42.3-177.3-62.5-173.5-178-180-1.8112.6Q25 S26 R33Q25-R28 VanDerWaalsContact O-CG 3.24Å; Q25-R28 WeakPolarHBondContact O-CG 3.35Å; Q25-R28 PolarHBondContact O-NE 3.33Å; S26-R28 PolarHBondContact O-N 3.14Å; R28-R33 PolarHBondContact O-NH2 3.38Å
29D93.3Very high95.6Very high139 Ų13972 Ų7274%0.74335%0.35SS*.THydrogen-bonded Turntrans-106.720.8-176.7-55.7-51.2000111.8
30W96.7Very high95.9Very high4 Ų471.4 Ų71.42%0.01535%0.346CS..  trans-69.5130.7-179.4-167.3-111.6000111.8F27 F32 R33 C38 P40 M43 H50 D58 A60 W72F27-W30 HydrophobicContact CB-CB 3.8Å; F27-W30 HydrophobicContact CB-CG 4.35Å; F27-W30 HydrophobicContact CD1-CB 3.93Å; F27-W30 AromaticContact CD1-CD2 3.52Å; F27-W30 HydrophobicContact CD1-CD2 3.52Å; F27-W30 AromaticContact CD1-CE3 3.59Å; F27-W30 HydrophobicContact CD1-CE3 3.59Å; F27-W30 AromaticContact CD1-CG 3.67Å; F27-W30 HydrophobicContact CD1-CG 3.67Å; F27-W30 HydrophobicContact CD1-CZ3 4.25Å; F27-W30 AromaticContact CE1-CD2 3.98Å; F27-W30 HydrophobicContact CE1-CD2 3.98Å; F27-W30 AromaticContact CE1-CE3 3.85Å; F27-W30 HydrophobicContact CE1-CE3 3.85Å; F27-W30 HydrophobicContact CE1-CH2 4.37Å; F27-W30 HydrophobicContact CE1-CZ2 4.5Å; F27-W30 HydrophobicContact CE1-CZ3 4.03Å; F27-W30 HydrophobicContact CG-CB 4.38Å; F27-W30 HydrophobicContact CG-CG 4.46Å; W30-F32 AromaticContact CE2-CD2 3.94Å; W30-F32 HydrophobicContact CZ2-CD2 4.02Å; W30-F32 AromaticContact NE1-CD2 3.77Å; W30-R33 PolarHBondContact O-NE 3.29Å; W30-C38 PolarHBondContact NE1-O 2.9Å; W30-P40 HydrophobicContact CB-CG 4.43Å; W30-M43 HydrophobicContact CH2-CE 3.82Å; W30-M43 HydrophobicContact CZ2-CE 3.74Å; W30-M43 HydrophobicContact CZ2-CG 4.43Å; W30-M43 HydrophobicContact CZ2-SD 4.31Å; W30-H50 AromaticContact CE3-CD2 3.5Å; W30-H50 VanDerWaalsContact CE3-CD2 3.5Å; W30-H50 AromaticContact CE3-CG 3.98Å; W30-H50 AromaticContact CE3-NE2 3.55Å; W30-H50 AromaticContact CZ3-CD2 3.59Å; W30-H50 AromaticContact CZ3-NE2 3.83Å; W30-D58 HydrophobicContact CH2-CB 4.05Å; W30-D58 VanDerWaalsContact CH2-O 3.22Å; W30-D58 WeakPolarHBondContact CH2-O 3.41Å; W30-D58 HydrophobicContact CZ3-CB 3.93Å; W30-D58 VanDerWaalsContact CZ3-O 3.24Å; W30-D58 WeakPolarHBondContact CZ3-O 3.43Å; W30-A60 HydrophobicContact CH2-CB 4.4Å; W30-W72 HydrophobicContact CH2-CB 4.14Å; W30-W72 AromaticContact CH2-CD1 3.5Å; W30-W72 VanDerWaalsContact CH2-CD1 3.5Å; W30-W72 HydrophobicContact CH2-CD2 4.4Å; W30-W72 AromaticContact CH2-CG 3.74Å; W30-W72 HydrophobicContact CH2-CG 3.74Å; W30-W72 AromaticContact CH2-NE1 3.97Å; W30-W72 HydrophobicContact CZ2-CB 3.96Å; W30-W72 HydrophobicContact CZ2-CD2 4.3Å; W30-W72 AromaticContact CZ2-CG 3.82Å; W30-W72 HydrophobicContact CZ2-CG 3.82Å
31P93.6Very high96.1Very high83 Ų8374 Ų7454%0.53936%0.358SS..SBendtrans-75.4-27.1-172.928.1-34.5000113.8
32F96.1Very high96.2Very high36 Ų3673.4 Ų73.416%0.15835%0.351CS..  trans-98.9103.7-172.1-52.1-59.1000111.4W30 C36 C38 P40 W72 P74W30-F32 AromaticContact CE2-CD2 3.94Å; W30-F32 HydrophobicContact CZ2-CD2 4.02Å; W30-F32 AromaticContact NE1-CD2 3.77Å; F32-C36 HydrophobicContact CB-CB 3.84Å; F32-C38 WeakPolarHBondContact CB-SG 3.48Å; F32-C38 WeakPolarHBondContact CD2-SG 3.4Å; F32-C38 WeakPolarHBondContact CG-SG 3.3Å; F32-P40 WeakPolarHBondContact O-CD 3.44Å; F32-W72 HydrophobicContact CD2-CB 4.28Å; F32-W72 HydrophobicContact CE2-CB 3.8Å; F32-W72 WeakPolarHBondContact CE2-O 3.07Å; F32-W72 WeakPolarHBondContact CZ-O 3.03Å; F32-P74 HydrophobicContact CD1-CB 4.31Å; F32-P74 HydrophobicContact CD1-CG 3.81Å; F32-P74 HydrophobicContact CE1-CG 3.65Å
33R93.8Very high96.3Very high121 Ų12170.3 Ų70.346%0.45734%0.335SS..  trans-120.9-90.1-176.4-64179.6176.4-78-6.2110.7F27 R28 W30 T39F27-R33 PolarHBondContact O-NH2 2.92Å; R28-R33 PolarHBondContact O-NH2 3.38Å; W30-R33 PolarHBondContact O-NE 3.29Å; R33-T39 WeakPolarHBondContact O-CG2 3.41Å
34E92.3Very high96.3Very high175 Ų17569.8 Ų69.882%0.81833%0.333SS*.THydrogen-bonded Turntrans-71.9147.1179.2-62.9-179.8-174.400110.4C36E34-C36 PolarHBondContact O-N 3.2Å; E34-C36 PolarHBondContact O-SG 3.18Å
35E91.9Very high96.2Very high198 Ų19872.5 Ų72.593%0.92534%0.343SS*.THydrogen-bonded Turntrans57.619.5176.8-54.7-175.3172.700115.7
36C96.5Very high96.2Very high27 Ų2767.5 Ų67.518%0.18232%0.32CS..  trans-113.5159176.9-580000111.7F32 E34 T39 P74F32-C36 HydrophobicContact CB-CB 3.84Å; E34-C36 PolarHBondContact O-N 3.2Å; E34-C36 PolarHBondContact O-SG 3.18Å; C36-T39 HydrophobicContact CB-CG2 4.42Å; C36-T39 WeakPolarHBondContact O-CG2 3.46Å; C36-P74 CarbonylContact C-O 3.58Å; C36-P74 HydrophobicContact CB-CB 4.36Å
37N97.4Very high96.2Very high47 Ų4766 Ų6625%0.25131%0.31SS..SBendtrans-94.2-22.2172.4-160.531000113T39 K42 P74 D75 D76 D77N37-T39 PolarHBondContact O-N 3.01Å; N37-K42 WeakPolarHBondContact O-CD 3.2Å; N37-K42 PolarHBondContact OD1-NZ 3.36Å; N37-P74 WeakPolarHBondContact CA-O 3.41Å; N37-P74 PolarHBondContact N-O 3.1Å; N37-D75 WeakPolarHBondContact CB-O 3.41Å; N37-D75 PolarHBondContact ND2-O 3.34Å; N37-D75 VanDerWaalsContact ND2-O 3.08Å; N37-D76 CarbonylContact C-O 3.57Å; N37-D76 VanDerWaalsContact C-O 3.26Å; N37-D76 WeakPolarHBondContact CB-O 3.36Å; N37-D76 PolarHBondContact ND2-O 3.24Å; N37-D77 WeakPolarHBondContact ND2-CA 3.43Å
38C97.4Very high96.2Very high0 Ų066 Ų660%031%0.31CS..SBendtrans-96.446.3174.760.10000112.9W30 F32 M43 W72 E73 P74 D76 P78W30-C38 PolarHBondContact NE1-O 2.9Å; F32-C38 WeakPolarHBondContact CB-SG 3.48Å; F32-C38 WeakPolarHBondContact CD2-SG 3.4Å; F32-C38 WeakPolarHBondContact CG-SG 3.3Å; C38-M43 HydrophobicContact CB-SD 4.32Å; C38-W72 HydrophobicContact CB-CE3 3.96Å; C38-W72 HydrophobicContact CB-CZ3 4.45Å; C38-E73 PolarHBondContact SG-O 3.46Å; C38-P74 PolarHBondContact N-O 3.49Å; C38-D76 HydrophobicContact CB-CB 4.43Å; C38-D76 PolarHBondContact N-O 2.66Å; C38-P78 HydrophobicContact CB-CG 4.13Å
39T98.3Very high96.4Very high22 Ų2257.3 Ų57.314%0.13528%0.278CS..  trans-67.5157.9178.671.70000112.2R33 C36 N37 E41 K42 M43R33-T39 WeakPolarHBondContact O-CG2 3.41Å; C36-T39 HydrophobicContact CB-CG2 4.42Å; C36-T39 WeakPolarHBondContact O-CG2 3.46Å; N37-T39 PolarHBondContact O-N 3.01Å; T39-E41 PolarHBondContact O-N 2.96Å; T39-K42 PolarHBondContact O-N 3.16Å; T39-K42 PolarHBondContact OG1-N 2.9Å; T39-M43 WeakPolarHBondContact O-CB 3.48Å; T39-M43 VanDerWaalsContact O-CG 3.27Å; T39-M43 WeakPolarHBondContact O-CG 3.25Å; T39-M43 PolarHBondContact O-N 2.88Å
40P98.4Very high96.6Very high13 Ų1351.4 Ų51.48%0.08425%0.245CC..Hα-helixtrans-48.1-43.9174.4-34.139.7000114.3E24 F27 W30 F32 M43 A44E24-P40 HydrophobicContact CG-CB 4.1Å; F27-P40 HydrophobicContact CB-CB 3.73Å; F27-P40 HydrophobicContact CB-CG 3.9Å; F27-P40 HydrophobicContact CG-CB 4.24Å; W30-P40 HydrophobicContact CB-CG 4.43Å; F32-P40 WeakPolarHBondContact O-CD 3.44Å; P40-M43 PolarHBondContact O-N 3.42Å; P40-A44 VanDerWaalsContact O-CB 3.25Å; P40-A44 WeakPolarHBondContact O-CB 3.35Å; P40-A44 PolarHBondContact O-N 2.91Å
41E97.6Very high96.5Very high114 Ų11452 Ų5253%0.53325%0.251SS..Hα-helixtrans-61.1-48.7177.1-174.6-167.2167.800111.3T39 A44 K45T39-E41 PolarHBondContact O-N 2.96Å; E41-A44 PolarHBondContact O-N 2.86Å; E41-K45 VanDerWaalsContact O-CB 3.27Å; E41-K45 WeakPolarHBondContact O-CB 3.37Å; E41-K45 PolarHBondContact O-N 2.86Å
42K97.9Very high96.4Very high87 Ų8751.4 Ų51.438%0.37825%0.247SC..Hα-helixtrans-69.1-37.1-179-72.6177.7175.1177.10112.1N37 T39 K45 A46 P78N37-K42 WeakPolarHBondContact O-CD 3.2Å; N37-K42 PolarHBondContact OD1-NZ 3.36Å; T39-K42 PolarHBondContact O-N 3.16Å; T39-K42 PolarHBondContact OG1-N 2.9Å; K42-K45 PolarHBondContact O-N 2.95Å; K42-A46 WeakPolarHBondContact O-CB 3.45Å; K42-A46 PolarHBondContact O-N 3.31Å; K42-P78 HydrophobicContact CB-CG 4.22Å
43M98.5Very high96.1Very high0 Ų052 Ų520%026%0.255CS..Hα-helixtrans-60.9-49.8172.5-69.5-66.3-76.800111.2F27 W30 C38 T39 P40 K45 A46 G47 F48 A60 W72 P78F27-M43 HydrophobicContact CD1-CB 4.42Å; F27-M43 HydrophobicContact CD2-CB 4.43Å; F27-M43 HydrophobicContact CE1-CB 3.77Å; F27-M43 HydrophobicContact CE1-CE 3.71Å; F27-M43 HydrophobicContact CE1-CG 3.97Å; F27-M43 HydrophobicContact CE2-CB 3.78Å; F27-M43 HydrophobicContact CZ-CB 3.44Å; F27-M43 VanDerWaalsContact CZ-CB 3.44Å; F27-M43 HydrophobicContact CZ-CE 3.93Å; F27-M43 HydrophobicContact CZ-CG 4.13Å; W30-M43 HydrophobicContact CH2-CE 3.82Å; W30-M43 HydrophobicContact CZ2-CE 3.74Å; W30-M43 HydrophobicContact CZ2-CG 4.43Å; W30-M43 HydrophobicContact CZ2-SD 4.31Å; C38-M43 HydrophobicContact CB-SD 4.32Å; T39-M43 WeakPolarHBondContact O-CB 3.48Å; T39-M43 VanDerWaalsContact O-CG 3.27Å; T39-M43 WeakPolarHBondContact O-CG 3.25Å; T39-M43 PolarHBondContact O-N 2.88Å; P40-M43 PolarHBondContact O-N 3.42Å; M43-K45 VanDerWaalsContact C-N 3.34Å; M43-K45 PolarHBondContact O-N 3.37Å; M43-A46 CarbonylContact O-C 3.54Å; M43-A46 PolarHBondContact O-N 3Å; M43-G47 PolarHBondContact O-N 2.98Å; M43-F48 HydrophobicContact CB-CB 4.39Å; M43-F48 HydrophobicContact CE-CB 4.03Å; M43-F48 HydrophobicContact CE-CD2 4.21Å; M43-F48 HydrophobicContact CE-CG 4.14Å; M43-F48 WeakPolarHBondContact O-CB 3.23Å; M43-F48 PolarHBondContact O-N 3.32Å; M43-F48 HydrophobicContact SD-CD2 4.29Å; M43-A60 HydrophobicContact CE-CB 3.28Å; M43-W72 HydrophobicContact CE-CD2 4.01Å; M43-W72 HydrophobicContact CE-CE3 4.38Å; M43-W72 HydrophobicContact CE-CH2 3.93Å; M43-W72 HydrophobicContact CE-CZ2 3.5Å; M43-W72 HydrophobicContact CE-CZ3 4.35Å; M43-W72 HydrophobicContact SD-CD2 4.22Å; M43-W72 HydrophobicContact SD-CE3 3.99Å; M43-W72 HydrophobicContact SD-CH2 3.69Å; M43-W72 HydrophobicContact SD-CZ2 3.93Å; M43-W72 HydrophobicContact SD-CZ3 3.73Å; M43-P78 HydrophobicContact CG-CG 4.05Å; M43-P78 HydrophobicContact SD-CB 3.59Å; M43-P78 VanDerWaalsContact SD-CB 3.59Å; M43-P78 HydrophobicContact SD-CG 3.37Å; M43-P78 WeakPolarHBondContact SD-CG 3.32Å
44A97.5Very high95.7Very high0 Ų054.4 Ų54.40%028%0.277CS..Hα-helixtrans-63-39.3177.300000112.2R23 E24 P40 E41 A46 G47R23-A44 HydrophobicContact CB-CB 3.79Å; R23-A44 VanDerWaalsContact CZ-O 3.32Å; R23-A44 PolarHBondContact NE-O 3.43Å; R23-A44 PolarHBondContact NH2-O 3.38Å; E24-A44 HydrophobicContact CB-CB 3.81Å; P40-A44 VanDerWaalsContact O-CB 3.25Å; P40-A44 WeakPolarHBondContact O-CB 3.35Å; P40-A44 PolarHBondContact O-N 2.91Å; E41-A44 PolarHBondContact O-N 2.86Å; A44-A46 VanDerWaalsContact C-N 3.32Å; A44-A46 PolarHBondContact O-N 3.46Å; A44-G47 PolarHBondContact O-N 3.39Å
45K96.2Very high95.6Very high131 Ų13153.3 Ų53.357%0.5728%0.277SS*.Hα-helixtrans-63-37.4174.8-173.4173.9-176.9174.60112.5E41 K42 M43 G47E41-K45 VanDerWaalsContact O-CB 3.27Å; E41-K45 WeakPolarHBondContact O-CB 3.37Å; E41-K45 PolarHBondContact O-N 2.86Å; K42-K45 PolarHBondContact O-N 2.95Å; M43-K45 VanDerWaalsContact C-N 3.34Å; M43-K45 PolarHBondContact O-N 3.37Å; K45-G47 PolarHBondContact O-N 2.86Å
46A97.4Very high95.5Very high1 Ų146.6 Ų46.61%0.00825%0.245CC..THydrogen-bonded Turntrans-75.7-0.1172.700000113.9K42 M43 A44 F48 P78 W79 H82K42-A46 WeakPolarHBondContact O-CB 3.45Å; K42-A46 PolarHBondContact O-N 3.31Å; M43-A46 CarbonylContact O-C 3.54Å; M43-A46 PolarHBondContact O-N 3Å; A44-A46 VanDerWaalsContact C-N 3.32Å; A44-A46 PolarHBondContact O-N 3.46Å; A46-F48 HydrophobicContact CB-CD2 3.82Å; A46-F48 HydrophobicContact CB-CE2 3.97Å; A46-P78 HydrophobicContact CB-CB 3.63Å; A46-W79 HydrophobicContact CB-CB 4.31Å; A46-W79 HydrophobicContact CB-CE3 4.36Å; A46-H82 PolarHBondContact O-CE1 3.49Å; A46-H82 PolarHBondContact O-ND1 3.44Å
47G96.8Very high95.3Very high0 Ų049.3 Ų49.30%026%0.263CS..THydrogen-bonded Turntrans86.91417600000114.1M43 A44 K45 C62 F63 F91M43-G47 PolarHBondContact O-N 2.98Å; A44-G47 PolarHBondContact O-N 3.39Å; K45-G47 PolarHBondContact O-N 2.86Å; G47-C62 VanDerWaalsContact O-CA 3.29Å; G47-C62 WeakPolarHBondContact O-CA 3.47Å; G47-F63 WeakPolarHBondContact O-CD1 3.47Å; G47-F63 PolarHBondContact O-N 3.29Å; G47-F91 VanDerWaalsContact CA-CE1 3.47Å
48F98.3Very high95.2Very high0 Ų048.3 Ų48.30%026%0.257CS..EExtended strand (participates in β ladder)trans-83.2152.6176.4-69-71.9000112.6F27 M43 A46 A60 C61 C62 I67 L69 W72 P78 H82F27-F48 WeakPolarHBondContact CE2-O 3.42Å; F27-F48 HydrophobicContact CZ-CB 3.98Å; M43-F48 HydrophobicContact CB-CB 4.39Å; M43-F48 HydrophobicContact CE-CB 4.03Å; M43-F48 HydrophobicContact CE-CD2 4.21Å; M43-F48 HydrophobicContact CE-CG 4.14Å; M43-F48 WeakPolarHBondContact O-CB 3.23Å; M43-F48 PolarHBondContact O-N 3.32Å; M43-F48 HydrophobicContact SD-CD2 4.29Å; A46-F48 HydrophobicContact CB-CD2 3.82Å; A46-F48 HydrophobicContact CB-CE2 3.97Å; F48-A60 HydrophobicContact CB-CB 4.13Å; F48-A60 HydrophobicContact CD1-CB 4.02Å; F48-A60 HydrophobicContact CG-CB 4.23Å; F48-C61 CarbonylContact C-O 3.38Å; F48-C61 WeakPolarHBondContact CA-O 3.31Å; F48-C62 HydrophobicContact CD1-CB 4.37Å; F48-C62 HydrophobicContact CE1-CB 4.32Å; F48-I67 HydrophobicContact CE1-CG2 4.3Å; F48-L69 HydrophobicContact CE1-CD1 4Å; F48-L69 HydrophobicContact CE1-CG 4.32Å; F48-L69 HydrophobicContact CZ-CD1 3.63Å; F48-L69 HydrophobicContact CZ-CG 4.44Å; F48-W72 HydrophobicContact CD2-CH2 4.29Å; F48-W72 HydrophobicContact CD2-CZ2 4.39Å; F48-W72 HydrophobicContact CE1-CZ2 4.4Å; F48-W72 AromaticContact CE2-CH2 3.82Å; F48-W72 HydrophobicContact CE2-CH2 3.82Å; F48-W72 HydrophobicContact CE2-CZ2 4.08Å; F48-W72 HydrophobicContact CZ-CH2 4.16Å; F48-W72 HydrophobicContact CZ-CZ2 4.1Å; F48-P78 HydrophobicContact CD2-CB 4.14Å; F48-P78 HydrophobicContact CE2-CB 4.14Å; F48-P78 WeakPolarHBondContact CE2-O 3.38Å; F48-H82 HydrophobicContact CE2-CB 3.85Å; F48-H82 HydrophobicContact CZ-CB 3.76Å
49V98.1Very high95.1Very high6 Ų648.6 Ų48.64%0.03626%0.259CS..EExtended strand (participates in β ladder)trans-126.1132.7171.3-177.40000106.9F14 M17 R23 C51 A60 C61 F63F14-V49 HydrophobicContact CE1-CB 4.11Å; F14-V49 HydrophobicContact CE1-CG1 3.9Å; F14-V49 HydrophobicContact CE1-CG2 4.23Å; F14-V49 HydrophobicContact CZ-CB 4.09Å; F14-V49 HydrophobicContact CZ-CG1 4.31Å; F14-V49 HydrophobicContact CZ-CG2 4.36Å; M17-V49 HydrophobicContact CB-CG2 4.12Å; M17-V49 HydrophobicContact CG-CG2 3.89Å; M17-V49 HydrophobicContact SD-CG1 4.44Å; M17-V49 HydrophobicContact SD-CG2 4.09Å; R23-V49 HydrophobicContact CG-CG2 4.04Å; V49-C51 PolarHBondContact O-N 3.01Å; V49-C51 PolarHBondContact O-SG 2.97Å; V49-A60 WeakPolarHBondContact O-CA 3.42Å; V49-C61 PolarHBondContact N-O 3.28Å; V49-C61 PolarHBondContact O-N 3.34Å; V49-F63 HydrophobicContact CG2-CB 3.95Å
50H97.6Very high95.1Very high14 Ų1447.5 Ų47.57%0.06525%0.252CS..EExtended strand (participates in β ladder)trans-69.3124.9175.4-168.3-156.2000109.4S26 F27 W30 P57 V59S26-H50 WeakPolarHBondContact O-CB 3.26Å; S26-H50 PolarHBondContact OG-N 2.95Å; F27-H50 HydrophobicContact CB-CB 4.43Å; F27-H50 HydrophobicContact CD1-CB 3.58Å; F27-H50 AromaticContact CD1-CG 3.98Å; F27-H50 HydrophobicContact CD2-CB 4.29Å; F27-H50 HydrophobicContact CE1-CB 3.72Å; F27-H50 HydrophobicContact CE2-CB 4.41Å; F27-H50 HydrophobicContact CG-CB 3.85Å; F27-H50 HydrophobicContact CZ-CB 4.12Å; W30-H50 AromaticContact CE3-CD2 3.5Å; W30-H50 VanDerWaalsContact CE3-CD2 3.5Å; W30-H50 AromaticContact CE3-CG 3.98Å; W30-H50 AromaticContact CE3-NE2 3.55Å; W30-H50 AromaticContact CZ3-CD2 3.59Å; W30-H50 AromaticContact CZ3-NE2 3.83Å; H50-P57 PolarHBondContact NE2-O 3.49Å; H50-V59 PolarHBondContact CD2-O 3.07Å
51C94.2Very high95Very high18 Ų1846.9 Ų46.912%0.12225%0.248CC..  trans-133.661.1-177.7-60.60000110.9R10 V49 V59R10-C51 VanDerWaalsContact CZ-CB 3.42Å; R10-C51 PolarHBondContact NH2-O 3.5Å; V49-C51 PolarHBondContact O-N 3.01Å; V49-C51 PolarHBondContact O-SG 2.97Å; C51-V59 HydrophobicContact CB-CG1 4.39Å; C51-V59 PolarHBondContact N-O 3.46Å
52P93.4Very high95Very high70 Ų7041.5 Ų41.546%0.45522%0.223SC..  trans-66.6152.8-172.729.6-35000112.1
53S88.5Confident94.9Very high48 Ų4837.3 Ų37.334%0.33621%0.205SC..  trans-124.6166.9162.981.10000109.9N55 E56S53-N55 PolarHBondContact O-N 2.99Å; S53-N55 VanDerWaalsContact O-N 3.08Å; S53-E56 PolarHBondContact N-O 3.06Å; S53-E56 CarbonylContact O-C 3.56Å; S53-E56 PolarHBondContact O-N 3.46Å; S53-E56 VanDerWaalsContact O-N 3.13Å; S53-E56 WeakPolarHBondContact OG-CB 3.45Å; S53-E56 PolarHBondContact OG-N 3.47Å; S53-E56 PolarHBondContact OG-OE2 3.14Å
54D86.4Confident94.8Very high172 Ų17237.4 Ų37.492%0.9221%0.205SC*.SBendtrans-55.5-29.7179.9-66.6-22.2000113
55N88.6Confident94.7Very high151 Ų15137.8 Ų37.881%0.80721%0.208SC*.SBendtrans-100.7-16.9-178.9-60.8-49.3000113.4S53S53-N55 PolarHBondContact O-N 2.99Å; S53-N55 VanDerWaalsContact O-N 3.08Å
56E90.1Very high94.6Very high58 Ų5831.7 Ų31.727%0.27118%0.182SC..  trans-133.473.5-171.8-51.7164.3153.800108S53 D58 V59S53-E56 PolarHBondContact N-O 3.06Å; S53-E56 CarbonylContact O-C 3.56Å; S53-E56 PolarHBondContact O-N 3.46Å; S53-E56 VanDerWaalsContact O-N 3.13Å; S53-E56 WeakPolarHBondContact OG-CB 3.45Å; S53-E56 PolarHBondContact OG-N 3.47Å; S53-E56 PolarHBondContact OG-OE2 3.14Å; E56-D58 VanDerWaalsContact C-N 3.28Å; E56-D58 PolarHBondContact O-N 3.29Å; E56-V59 HydrophobicContact CB-CG2 3.38Å; E56-V59 HydrophobicContact CG-CG2 4.38Å
57P92.9Very high94.5Very high84 Ų8433 Ų3355%0.54519%0.188SC..THydrogen-bonded Turntrans-73.5-16.3-167.829.4-36.4000114H50H50-P57 PolarHBondContact NE2-O 3.49Å
58D95.1Very high94.4Very high26 Ų2635.9 Ų35.914%0.13920%0.202CC..THydrogen-bonded Turntrans-112.818.4-176.373.2-36.6000113W30 E56 A60 G71 W72W30-D58 HydrophobicContact CH2-CB 4.05Å; W30-D58 VanDerWaalsContact CH2-O 3.22Å; W30-D58 WeakPolarHBondContact CH2-O 3.41Å; W30-D58 HydrophobicContact CZ3-CB 3.93Å; W30-D58 VanDerWaalsContact CZ3-O 3.24Å; W30-D58 WeakPolarHBondContact CZ3-O 3.43Å; E56-D58 VanDerWaalsContact C-N 3.28Å; E56-D58 PolarHBondContact O-N 3.29Å; D58-A60 PolarHBondContact O-N 2.97Å; D58-G71 WeakPolarHBondContact OD2-CA 3.46Å; D58-G71 PolarHBondContact OD2-N 3.41Å; D58-W72 VanDerWaalsContact O-CD1 3.24Å; D58-W72 PolarHBondContact OD2-N 2.76Å
59V95.8Very high94.3Very high5 Ų537 Ų373%0.0321%0.208CC..  trans-65.1126.3175.3171.70000110.6H50 C51 E56 E70H50-V59 PolarHBondContact CD2-O 3.07Å; C51-V59 HydrophobicContact CB-CG1 4.39Å; C51-V59 PolarHBondContact N-O 3.46Å; E56-V59 HydrophobicContact CB-CG2 3.38Å; E56-V59 HydrophobicContact CG-CG2 4.38Å; V59-E70 HydrophobicContact CG2-CB 3.93Å
60A97.4Very high94.2Very high0 Ų042.3 Ų42.30%023%0.232CC..EExtended strand (participates in β ladder)trans-122.4130.3173.600000110.2F27 W30 M43 F48 V49 D58 E68 L69 W72F27-A60 HydrophobicContact CE1-CB 4.43Å; W30-A60 HydrophobicContact CH2-CB 4.4Å; M43-A60 HydrophobicContact CE-CB 3.28Å; F48-A60 HydrophobicContact CB-CB 4.13Å; F48-A60 HydrophobicContact CD1-CB 4.02Å; F48-A60 HydrophobicContact CG-CB 4.23Å; V49-A60 WeakPolarHBondContact O-CA 3.42Å; D58-A60 PolarHBondContact O-N 2.97Å; A60-E68 WeakPolarHBondContact O-CA 3.31Å; A60-L69 PolarHBondContact N-O 3.04Å; A60-L69 PolarHBondContact O-N 3.31Å; A60-W72 HydrophobicContact CB-CZ2 4.32Å
61C96.8Very high94.2Very high0 Ų044.1 Ų44.10%026%0.255CS..EExtended strand (participates in β ladder)trans-116.3131-178-171.10000110.7F14 F48 V49 F63 I67 E68F14-C61 HydrophobicContact CE2-CB 4.25Å; F14-C61 HydrophobicContact CZ-CB 4.18Å; F48-C61 CarbonylContact C-O 3.38Å; F48-C61 WeakPolarHBondContact CA-O 3.31Å; V49-C61 PolarHBondContact N-O 3.28Å; V49-C61 PolarHBondContact O-N 3.34Å; C61-F63 PolarHBondContact O-N 2.77Å; C61-I67 CarbonylContact C-O 3.26Å; C61-I67 VanDerWaalsContact CA-O 3.3Å; C61-I67 WeakPolarHBondContact CA-O 3.42Å; C61-E68 HydrophobicContact CB-CG 3.98Å
62C97.4Very high94.3Very high0 Ų043.9 Ų43.90%025%0.251CS..EExtended strand (participates in β ladder)trans-68.1127.7172.4174.80000110.3G47 F48 F64 L66 I67 H82G47-C62 VanDerWaalsContact O-CA 3.29Å; G47-C62 WeakPolarHBondContact O-CA 3.47Å; F48-C62 HydrophobicContact CD1-CB 4.37Å; F48-C62 HydrophobicContact CE1-CB 4.32Å; C62-F64 PolarHBondContact O-N 3.04Å; C62-F64 VanDerWaalsContact O-N 3.1Å; C62-F64 PolarHBondContact SG-N 3.06Å; C62-F64 VanDerWaalsContact SG-N 3.39Å; C62-L66 WeakPolarHBondContact O-CA 3.32Å; C62-L66 PolarHBondContact O-N 3.25Å; C62-I67 HydrophobicContact CB-CG2 3.83Å; C62-I67 PolarHBondContact N-O 3.25Å; C62-H82 PolarHBondContact SG-CE1 2.87Å
63F96.8Very high94.5Very high0 Ų046.8 Ų46.80%026%0.258CS..THydrogen-bonded Turntrans-63.3-24.1-177.584.7-80.9000114.1F14 M17 Y18 G47 V49 C61 F91 R114F14-F63 HydrophobicContact CB-CB 4.12Å; F14-F63 HydrophobicContact CD2-CB 3.96Å; F14-F63 HydrophobicContact CG-CB 4.05Å; M17-F63 HydrophobicContact CB-CB 3.53Å; M17-F63 HydrophobicContact CB-CD2 3.91Å; M17-F63 HydrophobicContact CB-CG 3.78Å; M17-F63 HydrophobicContact CG-CB 4.39Å; Y18-F63 AromaticContact CD1-CE2 3.79Å; Y18-F63 HydrophobicContact CD1-CE2 3.79Å; Y18-F63 AromaticContact CD1-CZ 3.98Å; Y18-F63 HydrophobicContact CD1-CZ 3.98Å; Y18-F63 HydrophobicContact CD2-CE2 4.06Å; Y18-F63 AromaticContact CE1-CE2 3.84Å; Y18-F63 HydrophobicContact CE1-CE2 3.84Å; Y18-F63 HydrophobicContact CE1-CZ 4.16Å; Y18-F63 HydrophobicContact CE2-CE2 4.11Å; Y18-F63 AromaticContact CG-CE2 3.9Å; Y18-F63 HydrophobicContact CG-CE2 3.9Å; Y18-F63 HydrophobicContact CG-CZ 4.39Å; Y18-F63 AromaticContact CZ-CE2 3.99Å; G47-F63 WeakPolarHBondContact O-CD1 3.47Å; G47-F63 PolarHBondContact O-N 3.29Å; V49-F63 HydrophobicContact CG2-CB 3.95Å; C61-F63 PolarHBondContact O-N 2.77Å; F63-F91 HydrophobicContact CE1-CB 4.47Å; F63-F91 HydrophobicContact CE1-CD1 4.35Å; F63-F91 AromaticContact CE1-CD2 3.4Å; F63-F91 HydrophobicContact CE1-CD2 3.4Å; F63-F91 AromaticContact CE1-CE2 3.57Å; F63-F91 HydrophobicContact CE1-CE2 3.57Å; F63-F91 AromaticContact CE1-CG 3.81Å; F63-F91 HydrophobicContact CE1-CG 3.81Å; F63-F91 HydrophobicContact CE1-CZ 4.14Å; F63-F91 AromaticContact CZ-CD2 3.5Å; F63-F91 HydrophobicContact CZ-CD2 3.5Å; F63-F91 VanDerWaalsContact CZ-CD2 3.5Å; F63-F91 AromaticContact CZ-CE2 3.86Å; F63-F91 HydrophobicContact CZ-CE2 3.86Å; F63-F91 HydrophobicContact CZ-CG 4.2Å; F63-R114 VanDerWaalsContact O-CZ 3.29Å; F63-R114 PolarHBondContact O-NE 3.31Å; F63-R114 VanDerWaalsContact O-NE 3.16Å
64F95.8Very high95Very high1 Ų147.2 Ų47.20%0.00426%0.26CS..THydrogen-bonded Turntrans-95.7-62-174.5-165.5-83.6000112.3C62 L66 F91 M110 E113 R114 L117C62-F64 PolarHBondContact O-N 3.04Å; C62-F64 VanDerWaalsContact O-N 3.1Å; C62-F64 PolarHBondContact SG-N 3.06Å; C62-F64 VanDerWaalsContact SG-N 3.39Å; F64-L66 VanDerWaalsContact C-N 3.34Å; F64-F91 HydrophobicContact CB-CB 3.7Å; F64-F91 HydrophobicContact CD1-CB 4.35Å; F64-F91 HydrophobicContact CD2-CB 4.24Å; F64-F91 HydrophobicContact CG-CB 3.84Å; F64-M110 HydrophobicContact CD2-CE 4.02Å; F64-M110 HydrophobicContact CE2-CB 4.01Å; F64-M110 HydrophobicContact CE2-CE 3.48Å; F64-M110 VanDerWaalsContact CE2-CE 3.48Å; F64-M110 HydrophobicContact CE2-CG 4.44Å; F64-M110 HydrophobicContact CZ-CB 4.48Å; F64-M110 HydrophobicContact CZ-CE 4.24Å; F64-E113 HydrophobicContact CE1-CB 4.33Å; F64-E113 HydrophobicContact CZ-CB 3.95Å; F64-R114 HydrophobicContact CB-CG 4.45Å; F64-R114 HydrophobicContact CD1-CG 4.14Å; F64-R114 VanDerWaalsContact CD2-CD 3.48Å; F64-R114 HydrophobicContact CD2-CG 3.48Å; F64-R114 VanDerWaalsContact CD2-CG 3.48Å; F64-R114 HydrophobicContact CE1-CG 4.21Å; F64-R114 HydrophobicContact CE2-CG 3.53Å; F64-R114 HydrophobicContact CG-CG 3.78Å; F64-R114 HydrophobicContact CZ-CG 3.93Å; F64-L117 HydrophobicContact CD1-CD1 4.32Å; F64-L117 HydrophobicContact CE1-CD1 4.25Å
65C95.2Very high95.5Very high8 Ų845.4 Ų45.45%0.05425%0.25CS..THydrogen-bonded Turntrans-87.7-4.9-176.274.10000114.1I67 H82 S86 C89 L117 K121C65-I67 PolarHBondContact O-N 3.19Å; C65-I67 WeakPolarHBondContact SG-CG2 3.04Å; C65-H82 PolarHBondContact SG-NE2 3.4Å; C65-H82 VanDerWaalsContact SG-NE2 3.36Å; C65-S86 PolarHBondContact SG-OG 3.26Å; C65-S86 VanDerWaalsContact SG-OG 3.41Å; C65-C89 HydrophobicContact CB-CB 4Å; C65-C89 VanDerWaalsContact CB-SG 3.55Å; C65-L117 HydrophobicContact CB-CD1 4.23Å; C65-K121 VanDerWaalsContact O-CE 3.31Å; C65-K121 WeakPolarHBondContact O-CE 3.31Å
66L94.4Very high96Very high4 Ų440.1 Ų40.12%0.02122%0.222CC..  trans58.123.3-179.4-52.8176.3000113.3F14 C62 F64 Y118 K121F14-L66 HydrophobicContact CD2-CD2 3.62Å; F14-L66 HydrophobicContact CE2-CD2 3.84Å; C62-L66 WeakPolarHBondContact O-CA 3.32Å; C62-L66 PolarHBondContact O-N 3.25Å; F64-L66 VanDerWaalsContact C-N 3.34Å; L66-Y118 HydrophobicContact CD1-CD2 4.23Å; L66-K121 HydrophobicContact CB-CD 3.7Å; L66-K121 HydrophobicContact CD1-CD 4.18Å; L66-K121 VanDerWaalsContact O-CE 3.32Å; L66-K121 WeakPolarHBondContact O-CE 3.21Å; L66-K121 PolarHBondContact O-NZ 2.61Å
67I94.8Very high96.4Very high29 Ų2940.7 Ų40.715%0.14923%0.227CC..  trans-69.8131.6171.2-164.9163.4000109.3F48 C61 C62 C65 L69 R85F48-I67 HydrophobicContact CE1-CG2 4.3Å; C61-I67 CarbonylContact C-O 3.26Å; C61-I67 VanDerWaalsContact CA-O 3.3Å; C61-I67 WeakPolarHBondContact CA-O 3.42Å; C62-I67 HydrophobicContact CB-CG2 3.83Å; C62-I67 PolarHBondContact N-O 3.25Å; C65-I67 PolarHBondContact O-N 3.19Å; C65-I67 WeakPolarHBondContact SG-CG2 3.04Å; I67-L69 HydrophobicContact CD1-CD2 4.41Å; I67-L69 HydrophobicContact CG1-CD2 4.32Å; I67-R85 HydrophobicContact CD1-CB 3.37Å
68E94.9Very high96.6Very high60 Ų6036.8 Ų36.828%0.2820%0.202SC..EExtended strand (participates in β ladder)trans-104.7132.4176.7-78.2148.8-157.700108.4R10 A60 C61R10-E68 IonicContact CZ-OE1 3.18Å; R10-E68 IonicContact NH1-OE1 3.49Å; R10-E68 PolarHBondContact NH1-OE1 3.49Å; A60-E68 WeakPolarHBondContact O-CA 3.31Å; C61-E68 HydrophobicContact CB-CG 3.98Å
69L96.8Very high96.8Very high24 Ų2440.8 Ų40.813%0.12622%0.215CC..EExtended strand (participates in β ladder)trans-130.8141.7173.7-57.2179.1000108.5F48 A60 I67 W72 E81 R85F48-L69 HydrophobicContact CE1-CD1 4Å; F48-L69 HydrophobicContact CE1-CG 4.32Å; F48-L69 HydrophobicContact CZ-CD1 3.63Å; F48-L69 HydrophobicContact CZ-CG 4.44Å; A60-L69 PolarHBondContact N-O 3.04Å; A60-L69 PolarHBondContact O-N 3.31Å; I67-L69 HydrophobicContact CD1-CD2 4.41Å; I67-L69 HydrophobicContact CG1-CD2 4.32Å; L69-W72 HydrophobicContact CB-CZ2 3.83Å; L69-W72 HydrophobicContact CD1-CH2 4.19Å; L69-W72 HydrophobicContact CD1-CZ2 3.87Å; L69-W72 HydrophobicContact CG-CZ2 4.48Å; L69-W72 PolarHBondContact O-NE1 2.69Å; L69-E81 HydrophobicContact CD1-CB 4.16Å; L69-R85 HydrophobicContact CD1-CG 4.46Å; L69-R85 HydrophobicContact CD2-CB 4.39Å; L69-R85 HydrophobicContact CD2-CG 3.99Å
70E95.7Very high96.9Very high116 Ų11646.3 Ų46.354%0.54224%0.239SC..  trans-139.5171.517868.3-179.4172.400108.7V59V59-E70 HydrophobicContact CG2-CB 3.93Å
71G96.3Very high97Very high53 Ų5347.4 Ų47.455%0.54624%0.244SC..  trans71.940.4-177.800000112.1D58D58-G71 WeakPolarHBondContact OD2-CA 3.46Å; D58-G71 PolarHBondContact OD2-N 3.41Å
72W97.9Very high97Very high13 Ų1347.4 Ų47.45%0.04924%0.244CC..  trans-68.6136.7179.8-71.785.1000110.7W30 F32 C38 M43 F48 D58 A60 L69 D76 P78 E81W30-W72 HydrophobicContact CH2-CB 4.14Å; W30-W72 AromaticContact CH2-CD1 3.5Å; W30-W72 VanDerWaalsContact CH2-CD1 3.5Å; W30-W72 HydrophobicContact CH2-CD2 4.4Å; W30-W72 AromaticContact CH2-CG 3.74Å; W30-W72 HydrophobicContact CH2-CG 3.74Å; W30-W72 AromaticContact CH2-NE1 3.97Å; W30-W72 HydrophobicContact CZ2-CB 3.96Å; W30-W72 HydrophobicContact CZ2-CD2 4.3Å; W30-W72 AromaticContact CZ2-CG 3.82Å; W30-W72 HydrophobicContact CZ2-CG 3.82Å; F32-W72 HydrophobicContact CD2-CB 4.28Å; F32-W72 HydrophobicContact CE2-CB 3.8Å; F32-W72 WeakPolarHBondContact CE2-O 3.07Å; F32-W72 WeakPolarHBondContact CZ-O 3.03Å; C38-W72 HydrophobicContact CB-CE3 3.96Å; C38-W72 HydrophobicContact CB-CZ3 4.45Å; M43-W72 HydrophobicContact CE-CD2 4.01Å; M43-W72 HydrophobicContact CE-CE3 4.38Å; M43-W72 HydrophobicContact CE-CH2 3.93Å; M43-W72 HydrophobicContact CE-CZ2 3.5Å; M43-W72 HydrophobicContact CE-CZ3 4.35Å; M43-W72 HydrophobicContact SD-CD2 4.22Å; M43-W72 HydrophobicContact SD-CE3 3.99Å; M43-W72 HydrophobicContact SD-CH2 3.69Å; M43-W72 HydrophobicContact SD-CZ2 3.93Å; M43-W72 HydrophobicContact SD-CZ3 3.73Å; F48-W72 HydrophobicContact CD2-CH2 4.29Å; F48-W72 HydrophobicContact CD2-CZ2 4.39Å; F48-W72 HydrophobicContact CE1-CZ2 4.4Å; F48-W72 AromaticContact CE2-CH2 3.82Å; F48-W72 HydrophobicContact CE2-CH2 3.82Å; F48-W72 HydrophobicContact CE2-CZ2 4.08Å; F48-W72 HydrophobicContact CZ-CH2 4.16Å; F48-W72 HydrophobicContact CZ-CZ2 4.1Å; D58-W72 VanDerWaalsContact O-CD1 3.24Å; D58-W72 PolarHBondContact OD2-N 2.76Å; A60-W72 HydrophobicContact CB-CZ2 4.32Å; L69-W72 HydrophobicContact CB-CZ2 3.83Å; L69-W72 HydrophobicContact CD1-CH2 4.19Å; L69-W72 HydrophobicContact CD1-CZ2 3.87Å; L69-W72 HydrophobicContact CG-CZ2 4.48Å; L69-W72 PolarHBondContact O-NE1 2.69Å; W72-D76 HydrophobicContact CE3-CB 3.8Å; W72-D76 HydrophobicContact CZ3-CB 4.06Å; W72-P78 HydrophobicContact CH2-CB 3.97Å; W72-P78 HydrophobicContact CH2-CG 4.42Å; W72-P78 HydrophobicContact CZ3-CB 3.99Å; W72-P78 HydrophobicContact CZ3-CG 3.97Å; W72-E81 HydrophobicContact CH2-CB 4.35Å
73E97.7Very high97Very high130 Ų13050 Ų5061%0.60726%0.26SS*.  trans-107.5152.1173.6-64-175.6173.600110.2C38 D75 D76C38-E73 PolarHBondContact SG-O 3.46Å; E73-D75 PolarHBondContact O-N 2.76Å; E73-D75 VanDerWaalsContact O-N 3.07Å; E73-D76 PolarHBondContact N-OD2 2.97Å; E73-D76 WeakPolarHBondContact O-CB 3.46Å; E73-D76 PolarHBondContact O-N 3.19Å; E73-D76 VanDerWaalsContact O-N 3.08Å
74P97.5Very high97.1Very high57 Ų5755.6 Ų55.637%0.3728%0.284SS..THydrogen-bonded Turntrans-50.6-36.2-178.8-29.734.7000114.6F32 C36 N37 C38F32-P74 HydrophobicContact CD1-CB 4.31Å; F32-P74 HydrophobicContact CD1-CG 3.81Å; F32-P74 HydrophobicContact CE1-CG 3.65Å; C36-P74 CarbonylContact C-O 3.58Å; C36-P74 HydrophobicContact CB-CB 4.36Å; N37-P74 WeakPolarHBondContact CA-O 3.41Å; N37-P74 PolarHBondContact N-O 3.1Å; C38-P74 PolarHBondContact N-O 3.49Å
75D98Very high97.2Very high134 Ų13462.4 Ų62.472%0.71731%0.31SS*.THydrogen-bonded Turntrans-86.8-7.6-174.4-68.3-37.5000114.2N37 E73 D77N37-D75 WeakPolarHBondContact CB-O 3.41Å; N37-D75 PolarHBondContact ND2-O 3.34Å; N37-D75 VanDerWaalsContact ND2-O 3.08Å; E73-D75 PolarHBondContact O-N 2.76Å; E73-D75 VanDerWaalsContact O-N 3.07Å; D75-D77 PolarHBondContact O-N 3.43Å
76D98.4Very high97.2Very high41 Ų4163.3 Ų63.322%0.21932%0.316CS..  trans-59.9135.1-178.8-77.3-30.6000111.8N37 C38 W72 E73 P78N37-D76 CarbonylContact C-O 3.57Å; N37-D76 VanDerWaalsContact C-O 3.26Å; N37-D76 WeakPolarHBondContact CB-O 3.36Å; N37-D76 PolarHBondContact ND2-O 3.24Å; C38-D76 HydrophobicContact CB-CB 4.43Å; C38-D76 PolarHBondContact N-O 2.66Å; W72-D76 HydrophobicContact CE3-CB 3.8Å; W72-D76 HydrophobicContact CZ3-CB 4.06Å; E73-D76 PolarHBondContact N-OD2 2.97Å; E73-D76 WeakPolarHBondContact O-CB 3.46Å; E73-D76 PolarHBondContact O-N 3.19Å; E73-D76 VanDerWaalsContact O-N 3.08Å; D76-P78 WeakPolarHBondContact O-CD 3.18Å
77D98.4Very high97.3Very high70 Ų7067.9 Ų67.937%0.37435%0.346SS..  trans-91.8111.3169.4178.1-17.9000109.1N37 D75 W79 F80 E81N37-D77 WeakPolarHBondContact ND2-CA 3.43Å; D75-D77 PolarHBondContact O-N 3.43Å; D77-W79 VanDerWaalsContact C-N 3.29Å; D77-W79 PolarHBondContact O-N 2.53Å; D77-W79 WeakPolarHBondContact OD1-CB 3.28Å; D77-W79 PolarHBondContact OD1-N 3.31Å; D77-F80 HydrophobicContact CB-CB 3.76Å; D77-F80 PolarHBondContact O-N 3.16Å; D77-F80 PolarHBondContact OD1-N 2.93Å; D77-E81 PolarHBondContact O-N 3.32Å
78P98.4Very high97.3Very high1 Ų171.1 Ų71.11%0.00638%0.377CS..Hα-helixtrans-60.9-36.4-178-25.336.9000113.6C38 K42 M43 A46 F48 W72 D76 H82C38-P78 HydrophobicContact CB-CG 4.13Å; K42-P78 HydrophobicContact CB-CG 4.22Å; M43-P78 HydrophobicContact CG-CG 4.05Å; M43-P78 HydrophobicContact SD-CB 3.59Å; M43-P78 VanDerWaalsContact SD-CB 3.59Å; M43-P78 HydrophobicContact SD-CG 3.37Å; M43-P78 WeakPolarHBondContact SD-CG 3.32Å; A46-P78 HydrophobicContact CB-CB 3.63Å; F48-P78 HydrophobicContact CD2-CB 4.14Å; F48-P78 HydrophobicContact CE2-CB 4.14Å; F48-P78 WeakPolarHBondContact CE2-O 3.38Å; W72-P78 HydrophobicContact CH2-CB 3.97Å; W72-P78 HydrophobicContact CH2-CG 4.42Å; W72-P78 HydrophobicContact CZ3-CB 3.99Å; W72-P78 HydrophobicContact CZ3-CG 3.97Å; D76-P78 WeakPolarHBondContact O-CD 3.18Å; P78-H82 VanDerWaalsContact O-CB 3.3Å; P78-H82 WeakPolarHBondContact O-CB 3.38Å; P78-H82 PolarHBondContact O-N 2.94Å
79W97.9Very high97.3Very high111 Ų11168.3 Ų68.342%0.4236%0.364SS..Hα-helixtrans-68.5-41.7179.5-173.3-81.2000110.8A46 D77 T83 L92A46-W79 HydrophobicContact CB-CB 4.31Å; A46-W79 HydrophobicContact CB-CE3 4.36Å; D77-W79 VanDerWaalsContact C-N 3.29Å; D77-W79 PolarHBondContact O-N 2.53Å; D77-W79 WeakPolarHBondContact OD1-CB 3.28Å; D77-W79 PolarHBondContact OD1-N 3.31Å; W79-T83 WeakPolarHBondContact O-CB 3.26Å; W79-T83 PolarHBondContact O-N 2.91Å; W79-T83 PolarHBondContact O-OG1 3.25Å; W79-L92 HydrophobicContact CD2-CD2 4.15Å; W79-L92 HydrophobicContact CE3-CD2 4.2Å; W79-L92 HydrophobicContact CH2-CD2 3.78Å; W79-L92 HydrophobicContact CZ2-CD2 3.73Å; W79-L92 HydrophobicContact CZ3-CD2 4.02Å
80F98.3Very high97.1Very high120 Ų12067.7 Ų67.753%0.52636%0.363SS..Hα-helixtrans-63.8-49.7176.5178.8-101.8000111.7D77 H82 T83 K84D77-F80 HydrophobicContact CB-CB 3.76Å; D77-F80 PolarHBondContact O-N 3.16Å; D77-F80 PolarHBondContact OD1-N 2.93Å; F80-H82 VanDerWaalsContact C-N 3.33Å; F80-H82 PolarHBondContact O-N 2.77Å; F80-T83 PolarHBondContact O-N 2.73Å; F80-K84 HydrophobicContact CE1-CD 3.89Å; F80-K84 HydrophobicContact CZ-CD 4.28Å; F80-K84 VanDerWaalsContact O-CB 3.28Å; F80-K84 WeakPolarHBondContact O-CB 3.42Å; F80-K84 PolarHBondContact O-N 3.18Å
81E98.6Very high97Very high23 Ų2363 Ų6311%0.10734%0.341CS..Hα-helixtrans-62.1-40.9178.3-79.7-60.3128.400111.3L69 W72 D77 T83 K84 R85L69-E81 HydrophobicContact CD1-CB 4.16Å; W72-E81 HydrophobicContact CH2-CB 4.35Å; D77-E81 PolarHBondContact O-N 3.32Å; E81-T83 PolarHBondContact O-N 3.41Å; E81-K84 PolarHBondContact O-N 3.45Å; E81-K84 IonicContact OE1-NZ 3.1Å; E81-K84 PolarHBondContact OE1-NZ 3.3Å; E81-K84 IonicContact OE2-NZ 4Å; E81-R85 VanDerWaalsContact O-CB 3.3Å; E81-R85 WeakPolarHBondContact O-CB 3.19Å; E81-R85 WeakPolarHBondContact O-CG 3.3Å; E81-R85 PolarHBondContact O-N 2.99Å; E81-R85 IonicContact OE2-CZ 3.79Å; E81-R85 IonicContact OE2-NE 3.31Å; E81-R85 PolarHBondContact OE2-NE 3.34Å; E81-R85 IonicContact OE2-NH2 3.75Å; E81-R85 PolarHBondContact OE2-NH2 3.39Å
82H98.3Very high96.9Very high0 Ų061.8 Ų61.80%032%0.322CS..Hα-helixtrans-61.1-47.6174.3-168.4178000111.9A46 F48 C62 C65 P78 F80 K84 R85 S86 C89 L92A46-H82 PolarHBondContact O-CE1 3.49Å; A46-H82 PolarHBondContact O-ND1 3.44Å; F48-H82 HydrophobicContact CE2-CB 3.85Å; F48-H82 HydrophobicContact CZ-CB 3.76Å; C62-H82 PolarHBondContact SG-CE1 2.87Å; C65-H82 PolarHBondContact SG-NE2 3.4Å; C65-H82 VanDerWaalsContact SG-NE2 3.36Å; P78-H82 VanDerWaalsContact O-CB 3.3Å; P78-H82 WeakPolarHBondContact O-CB 3.38Å; P78-H82 PolarHBondContact O-N 2.94Å; F80-H82 VanDerWaalsContact C-N 3.33Å; F80-H82 PolarHBondContact O-N 2.77Å; H82-K84 VanDerWaalsContact C-N 3.33Å; H82-K84 PolarHBondContact O-N 2.82Å; H82-R85 PolarHBondContact O-N 3.13Å; H82-S86 CarbonylContact O-C 3.58Å; H82-S86 PolarHBondContact O-N 3.45Å; H82-C89 PolarHBondContact NE2-SG 3.2Å; H82-L92 HydrophobicContact CB-CD1 4.47Å
83T97.8Very high96.4Very high54 Ų5465.4 Ų65.433%0.33135%0.349SS..Hα-helixtrans-62.3-41.2-180-58.50000111.8W79 F80 E81 P87W79-T83 WeakPolarHBondContact O-CB 3.26Å; W79-T83 PolarHBondContact O-N 2.91Å; W79-T83 PolarHBondContact O-OG1 3.25Å; F80-T83 PolarHBondContact O-N 2.73Å; E81-T83 PolarHBondContact O-N 3.41Å; T83-P87 WeakPolarHBondContact O-CA 3.45Å; T83-P87 VanDerWaalsContact O-CB 3.26Å; T83-P87 WeakPolarHBondContact O-CB 3.4Å; T83-P87 WeakPolarHBondContact O-CD 3.31Å
84K98Very high95.9Very high119 Ų11961.3 Ų61.352%0.51733%0.331SS..Hα-helixtrans-65.4-40.2178.5176.6-179.5167.5-165.70112.2F80 E81 H82F80-K84 HydrophobicContact CE1-CD 3.89Å; F80-K84 HydrophobicContact CZ-CD 4.28Å; F80-K84 VanDerWaalsContact O-CB 3.28Å; F80-K84 WeakPolarHBondContact O-CB 3.42Å; F80-K84 PolarHBondContact O-N 3.18Å; E81-K84 PolarHBondContact O-N 3.45Å; E81-K84 IonicContact OE1-NZ 3.1Å; E81-K84 PolarHBondContact OE1-NZ 3.3Å; E81-K84 IonicContact OE2-NZ 4Å; H82-K84 VanDerWaalsContact C-N 3.33Å; H82-K84 PolarHBondContact O-N 2.82Å
85R97.4Very high95Very high144 Ų14468.5 Ų68.554%0.54336%0.356SS..Hα-helixtrans-90.5-27-172.9-57.3-72.5-173.3142.38.2113.3I67 L69 E81 H82I67-R85 HydrophobicContact CD1-CB 3.37Å; L69-R85 HydrophobicContact CD1-CG 4.46Å; L69-R85 HydrophobicContact CD2-CB 4.39Å; L69-R85 HydrophobicContact CD2-CG 3.99Å; E81-R85 VanDerWaalsContact O-CB 3.3Å; E81-R85 WeakPolarHBondContact O-CB 3.19Å; E81-R85 WeakPolarHBondContact O-CG 3.3Å; E81-R85 PolarHBondContact O-N 2.99Å; E81-R85 IonicContact OE2-CZ 3.79Å; E81-R85 IonicContact OE2-NE 3.31Å; E81-R85 PolarHBondContact OE2-NE 3.34Å; E81-R85 IonicContact OE2-NH2 3.75Å; E81-R85 PolarHBondContact OE2-NH2 3.39Å; H82-R85 PolarHBondContact O-N 3.13Å
86S96.6Very high94.2Very high26 Ų2664.7 Ų64.718%0.18233%0.333CS..  trans-143.864.4-179.6-160.60000111.7C65 H82 A88 C89C65-S86 PolarHBondContact SG-OG 3.26Å; C65-S86 VanDerWaalsContact SG-OG 3.41Å; H82-S86 CarbonylContact O-C 3.58Å; H82-S86 PolarHBondContact O-N 3.45Å; S86-A88 PolarHBondContact O-N 3.36Å; S86-C89 VanDerWaalsContact O-CB 3.28Å; S86-C89 WeakPolarHBondContact O-CB 3.31Å; S86-C89 PolarHBondContact O-N 3.04Å
87P95.7Very high93Very high100 Ų10067.7 Ų67.765%0.64936%0.363SS*.THydrogen-bonded Turntrans-62.8-20.9-173.223.2-34.1000114.2T83T83-P87 WeakPolarHBondContact O-CA 3.45Å; T83-P87 VanDerWaalsContact O-CB 3.26Å; T83-P87 WeakPolarHBondContact O-CB 3.4Å; T83-P87 WeakPolarHBondContact O-CD 3.31Å
88A94.3Very high92Very high97 Ų9767.3 Ų67.380%0.80236%0.362SS*.THydrogen-bonded Turntrans-96.716.5179.100000113.2S86 G90S86-A88 PolarHBondContact O-N 3.36Å; A88-G90 PolarHBondContact O-N 3.31Å
89C95.8Very high91.1Very high2 Ų270.9 Ų70.91%0.01438%0.377CS..  trans-64.5121.9176.4-179.80000110.7C65 H82 S86 F91 L92 S93C65-C89 HydrophobicContact CB-CB 4Å; C65-C89 VanDerWaalsContact CB-SG 3.55Å; H82-C89 PolarHBondContact NE2-SG 3.2Å; S86-C89 VanDerWaalsContact O-CB 3.28Å; S86-C89 WeakPolarHBondContact O-CB 3.31Å; S86-C89 PolarHBondContact O-N 3.04Å; C89-F91 PolarHBondContact O-N 3.03Å; C89-L92 HydrophobicContact CB-CB 4.41Å; C89-L92 HydrophobicContact CB-CD1 3.99Å; C89-L92 HydrophobicContact CB-CG 3.99Å; C89-L92 PolarHBondContact O-N 3.17Å; C89-S93 PolarHBondContact O-N 3.39Å
90G92.9Very high90.4Very high10 Ų1070 Ų7010%0.10338%0.384CS..THydrogen-bonded Turntrans-57.1-34.2-179.200000113.4A88 L92 S93 M94A88-G90 PolarHBondContact O-N 3.31Å; G90-L92 PolarHBondContact O-N 3.39Å; G90-S93 PolarHBondContact O-N 2.99Å; G90-S93 PolarHBondContact O-OG 3.36Å; G90-M94 PolarHBondContact O-N 3.1Å
91F93.8Very high89.9Confident17 Ų1769.7 Ų69.78%0.07538%0.384CS..THydrogen-bonded Turntrans-61-42.6174.6176.8-102.1000113.2G47 F63 F64 C89 S93 M94G47-F91 VanDerWaalsContact CA-CE1 3.47Å; F63-F91 HydrophobicContact CE1-CB 4.47Å; F63-F91 HydrophobicContact CE1-CD1 4.35Å; F63-F91 AromaticContact CE1-CD2 3.4Å; F63-F91 HydrophobicContact CE1-CD2 3.4Å; F63-F91 AromaticContact CE1-CE2 3.57Å; F63-F91 HydrophobicContact CE1-CE2 3.57Å; F63-F91 AromaticContact CE1-CG 3.81Å; F63-F91 HydrophobicContact CE1-CG 3.81Å; F63-F91 HydrophobicContact CE1-CZ 4.14Å; F63-F91 AromaticContact CZ-CD2 3.5Å; F63-F91 HydrophobicContact CZ-CD2 3.5Å; F63-F91 VanDerWaalsContact CZ-CD2 3.5Å; F63-F91 AromaticContact CZ-CE2 3.86Å; F63-F91 HydrophobicContact CZ-CE2 3.86Å; F63-F91 HydrophobicContact CZ-CG 4.2Å; F64-F91 HydrophobicContact CB-CB 3.7Å; F64-F91 HydrophobicContact CD1-CB 4.35Å; F64-F91 HydrophobicContact CD2-CB 4.24Å; F64-F91 HydrophobicContact CG-CB 3.84Å; C89-F91 PolarHBondContact O-N 3.03Å; F91-S93 PolarHBondContact O-N 2.77Å; F91-M94 HydrophobicContact CD2-CE 4.05Å; F91-M94 HydrophobicContact CE2-CE 3.88Å; F91-M94 VanDerWaalsContact O-CB 3.26Å; F91-M94 WeakPolarHBondContact O-CB 3.21Å; F91-M94 PolarHBondContact O-N 3.43Å; F91-M94 VanDerWaalsContact O-N 3.13Å
92L92.9Very high89.4Confident28 Ų2870 Ų7015%0.14739%0.386CS..THydrogen-bonded Turntrans-65.4-24.9178.3-65.4178.4000112.4W79 H82 C89 G90W79-L92 HydrophobicContact CD2-CD2 4.15Å; W79-L92 HydrophobicContact CE3-CD2 4.2Å; W79-L92 HydrophobicContact CH2-CD2 3.78Å; W79-L92 HydrophobicContact CZ2-CD2 3.73Å; W79-L92 HydrophobicContact CZ3-CD2 4.02Å; H82-L92 HydrophobicContact CB-CD1 4.47Å; C89-L92 HydrophobicContact CB-CB 4.41Å; C89-L92 HydrophobicContact CB-CD1 3.99Å; C89-L92 HydrophobicContact CB-CG 3.99Å; C89-L92 PolarHBondContact O-N 3.17Å; G90-L92 PolarHBondContact O-N 3.39Å
93S88.4Confident89.2Confident89 Ų8973.5 Ų73.562%0.62241%0.408SS*.THydrogen-bonded Turntrans-921.1177.967.70000114.3C89 G90 F91 K95C89-S93 PolarHBondContact O-N 3.39Å; G90-S93 PolarHBondContact O-N 2.99Å; G90-S93 PolarHBondContact O-OG 3.36Å; F91-S93 PolarHBondContact O-N 2.77Å; S93-K95 PolarHBondContact O-N 3.4Å
94M86.3Confident89Confident44 Ų4476.4 Ų76.422%0.21743%0.426CS..  trans-67122.9-177.3-166.7171.460.700110.1G90 F91 K96 L102 M110G90-M94 PolarHBondContact O-N 3.1Å; F91-M94 HydrophobicContact CD2-CE 4.05Å; F91-M94 HydrophobicContact CE2-CE 3.88Å; F91-M94 VanDerWaalsContact O-CB 3.26Å; F91-M94 WeakPolarHBondContact O-CB 3.21Å; F91-M94 PolarHBondContact O-N 3.43Å; F91-M94 VanDerWaalsContact O-N 3.13Å; M94-K96 WeakPolarHBondContact CE-O 3.06Å; M94-L102 HydrophobicContact SD-CD1 4.22Å; M94-L102 HydrophobicContact SD-CD2 4.5Å; M94-M110 HydrophobicContact CG-CE 4.4Å; M94-M110 HydrophobicContact CG-SD 4.43Å; M94-M110 HydrophobicContact SD-CE 3.65Å; M94-M110 HydrophobicContact SD-SD 3.83Å
95K78.6Confident88.8Confident208 Ų20875 Ų7590%0.90443%0.43SS*.SBendtrans-78-27.6-177.4-65.4-176.4-179.6178.60113.4S93S93-K95 PolarHBondContact O-N 3.4Å
96K81.9Confident88.5Confident55 Ų5571.2 Ų71.224%0.23942%0.419CS..SBendtrans-89.4132-179.4-65.2-178.2179176.30108.4M94 D98 E101 L102 E106M94-K96 WeakPolarHBondContact CE-O 3.06Å; K96-D98 VanDerWaalsContact C-N 3.33Å; K96-E101 HydrophobicContact CB-CB 4.21Å; K96-E101 HydrophobicContact CD-CB 3.8Å; K96-E101 VanDerWaalsContact CD-O 3.31Å; K96-E101 WeakPolarHBondContact CD-O 3.26Å; K96-E101 WeakPolarHBondContact CE-O 3.16Å; K96-E101 HydrophobicContact CG-CB 4.33Å; K96-E101 PolarHBondContact NZ-O 2.84Å; K96-L102 HydrophobicContact CD-CD2 3.98Å; K96-E106 VanDerWaalsContact NZ-CD 3.29Å; K96-E106 IonicContact NZ-OE1 2.75Å; K96-E106 PolarHBondContact NZ-OE1 3.42Å; K96-E106 VanDerWaalsContact NZ-OE1 3.1Å; K96-E106 IonicContact NZ-OE2 3.25Å; K96-E106 PolarHBondContact NZ-OE2 3.06Å
97A72.1Confident88.3Confident103 Ų10373.9 Ų73.985%0.85143%0.426SS*.SBendtrans-75.4-29-174.900000111.8
98D77.6Confident88.2Confident63 Ų6372.8 Ų72.834%0.33742%0.419SS..SBendtrans-119.1138.1177.8-171.8-5000110.5K96 T100 E101K96-D98 VanDerWaalsContact C-N 3.33Å; D98-T100 PolarHBondContact O-N 3.01Å; D98-T100 PolarHBondContact OD1-N 3.25Å; D98-T100 PolarHBondContact OD1-OG1 3.25Å; D98-T100 PolarHBondContact OD2-OG1 3.3Å; D98-E101 HydrophobicContact CB-CG 4.28Å; D98-E101 WeakPolarHBondContact O-CB 3.39Å; D98-E101 PolarHBondContact O-N 3.09Å
99F79.3Confident88.1Confident76 Ų7673.9 Ų73.933%0.33341%0.408SS..G310 helixtrans-63.1-25.6174.276.3-83.8000112.1Y18 E101 L102Y18-F99 HydrophobicContact CD1-CB 4.07Å; Y18-F99 HydrophobicContact CG-CB 4.25Å; Y18-F99 VanDerWaalsContact O-CD1 3.26Å; Y18-F99 WeakPolarHBondContact O-CD1 3.32Å; F99-E101 PolarHBondContact O-N 3.25Å; F99-L102 HydrophobicContact CB-CD1 4.17Å; F99-L102 VanDerWaalsContact O-CB 3.31Å; F99-L102 WeakPolarHBondContact O-CB 3.42Å; F99-L102 PolarHBondContact O-N 2.75Å
100T83.6Confident87.9Confident93 Ų9374.7 Ų74.757%0.57141%0.412SS*.G310 helixtrans-64.4-18.4176.7680000112.9D98D98-T100 PolarHBondContact O-N 3.01Å; D98-T100 PolarHBondContact OD1-N 3.25Å; D98-T100 PolarHBondContact OD1-OG1 3.25Å; D98-T100 PolarHBondContact OD2-OG1 3.3Å
101E88.3Confident87.9Confident112 Ų11275.7 Ų75.752%0.52341%0.414SS..G310 helixtrans-84.6-9.6176.1-58.6179166.300112.8K96 D98 F99K96-E101 HydrophobicContact CB-CB 4.21Å; K96-E101 HydrophobicContact CD-CB 3.8Å; K96-E101 VanDerWaalsContact CD-O 3.31Å; K96-E101 WeakPolarHBondContact CD-O 3.26Å; K96-E101 WeakPolarHBondContact CE-O 3.16Å; K96-E101 HydrophobicContact CG-CB 4.33Å; K96-E101 PolarHBondContact NZ-O 2.84Å; D98-E101 HydrophobicContact CB-CG 4.28Å; D98-E101 WeakPolarHBondContact O-CB 3.39Å; D98-E101 PolarHBondContact O-N 3.09Å; F99-E101 PolarHBondContact O-N 3.25Å
102L88.4Confident88Confident29 Ų2976.2 Ų76.215%0.15242%0.424CS..  trans-71.7135.9179-65.2167.6000110.8M94 K96 F99 E106 M110M94-L102 HydrophobicContact SD-CD1 4.22Å; M94-L102 HydrophobicContact SD-CD2 4.5Å; K96-L102 HydrophobicContact CD-CD2 3.98Å; F99-L102 HydrophobicContact CB-CD1 4.17Å; F99-L102 VanDerWaalsContact O-CB 3.31Å; F99-L102 WeakPolarHBondContact O-CB 3.42Å; F99-L102 PolarHBondContact O-N 2.75Å; L102-E106 HydrophobicContact CB-CB 4.4Å; L102-E106 HydrophobicContact CD2-CB 3.84Å; L102-M110 HydrophobicContact CD1-SD 3.79Å; L102-M110 HydrophobicContact CD2-SD 4.16Å
103T93.4Very high88Confident74 Ų7478.2 Ų78.245%0.45443%0.432SS..  trans-69.4157.5163.564.50000109.6S105 E106 Y107T103-S105 PolarHBondContact O-N 2.89Å; T103-E106 WeakPolarHBondContact CB-OE2 3.4Å; T103-E106 WeakPolarHBondContact CG2-OE2 3.3Å; T103-E106 PolarHBondContact N-OE2 3.36Å; T103-E106 PolarHBondContact O-N 3.41Å; T103-E106 VanDerWaalsContact O-N 3.09Å; T103-E106 VanDerWaalsContact OG1-CG 3.32Å; T103-E106 WeakPolarHBondContact OG1-CG 3.28Å; T103-E106 PolarHBondContact OG1-N 2.63Å; T103-E106 PolarHBondContact OG1-OE2 3.1Å; T103-Y107 PolarHBondContact O-N 3.35Å
104V93.1Very high88.3Confident116 Ų11674 Ų7470%0.70340%0.403SS*.Hα-helixtrans-53.4-39.5174.9177.80000111.4Y107 C108V104-Y107 PolarHBondContact O-N 3.43Å; V104-C108 WeakPolarHBondContact O-CB 3.04Å; V104-C108 PolarHBondContact O-N 2.98Å; V104-C108 PolarHBondContact O-SG 2.82Å
105S94.7Very high88.8Confident88 Ų8875.4 Ų75.462%0.61541%0.411SS*.Hα-helixtrans-65.1-43.1178.9-172.40000112.7T103 C108 Q109T103-S105 PolarHBondContact O-N 2.89Å; S105-C108 PolarHBondContact O-N 3.11Å; S105-Q109 WeakPolarHBondContact O-CB 3.45Å; S105-Q109 PolarHBondContact O-N 3.46Å
106E91.7Very high89.6Confident66 Ų6672.6 Ų72.631%0.30840%0.399SS..Hα-helixtrans-65.9-43.8177.7-70.4161.9135.700110.6K96 L102 T103 C108 Q109 M110K96-E106 VanDerWaalsContact NZ-CD 3.29Å; K96-E106 IonicContact NZ-OE1 2.75Å; K96-E106 PolarHBondContact NZ-OE1 3.42Å; K96-E106 VanDerWaalsContact NZ-OE1 3.1Å; K96-E106 IonicContact NZ-OE2 3.25Å; K96-E106 PolarHBondContact NZ-OE2 3.06Å; L102-E106 HydrophobicContact CB-CB 4.4Å; L102-E106 HydrophobicContact CD2-CB 3.84Å; T103-E106 WeakPolarHBondContact CB-OE2 3.4Å; T103-E106 WeakPolarHBondContact CG2-OE2 3.3Å; T103-E106 PolarHBondContact N-OE2 3.36Å; T103-E106 PolarHBondContact O-N 3.41Å; T103-E106 VanDerWaalsContact O-N 3.09Å; T103-E106 VanDerWaalsContact OG1-CG 3.32Å; T103-E106 WeakPolarHBondContact OG1-CG 3.28Å; T103-E106 PolarHBondContact OG1-N 2.63Å; T103-E106 PolarHBondContact OG1-OE2 3.1Å; E106-C108 PolarHBondContact O-N 3.08Å; E106-Q109 WeakPolarHBondContact O-CB 3.46Å; E106-Q109 PolarHBondContact O-N 3.15Å; E106-M110 WeakPolarHBondContact O-CG 3.42Å; E106-M110 PolarHBondContact O-N 3.23Å
107Y91.1Very high90.2Very high82 Ų8271.7 Ų71.732%0.32240%0.396SS..Hα-helixtrans-58.8-48.5174.9175.7-95.5000111.8Y18 T103 V104 Q109 M110 E111Y18-Y107 AromaticContact CD2-CE2 3.84Å; Y18-Y107 HydrophobicContact CD2-CE2 3.84Å; Y18-Y107 HydrophobicContact CE2-CD2 4.32Å; Y18-Y107 AromaticContact CE2-CE2 3.6Å; Y18-Y107 HydrophobicContact CE2-CE2 3.6Å; T103-Y107 PolarHBondContact O-N 3.35Å; V104-Y107 PolarHBondContact O-N 3.43Å; Y107-Q109 VanDerWaalsContact C-N 3.28Å; Y107-Q109 PolarHBondContact O-N 2.91Å; Y107-M110 WeakPolarHBondContact O-CB 3.39Å; Y107-M110 PolarHBondContact O-N 2.83Å; Y107-M110 VanDerWaalsContact O-N 3.17Å; Y107-E111 HydrophobicContact CD1-CG 4.28Å; Y107-E111 HydrophobicContact CE1-CG 3.72Å; Y107-E111 HydrophobicContact CE2-CG 4.04Å; Y107-E111 PolarHBondContact O-N 3.22Å
108C93.4Very high91.3Very high76 Ų7668.2 Ų68.251%0.51436%0.361SS..Hα-helixtrans-61.3-36.6177.4-71.70000112.5V104 S105 E106 G112V104-C108 WeakPolarHBondContact O-CB 3.04Å; V104-C108 PolarHBondContact O-N 2.98Å; V104-C108 PolarHBondContact O-SG 2.82Å; S105-C108 PolarHBondContact O-N 3.11Å; E106-C108 PolarHBondContact O-N 3.08Å; C108-G112 PolarHBondContact O-N 2.82Å
109Q93.1Very high92.2Very high121 Ų12169.4 Ų69.457%0.56537%0.367SS*.Hα-helixtrans-63.4-46.8174.7179.2179.9-19.500111.1S105 E106 Y107 G112 E113S105-Q109 WeakPolarHBondContact O-CB 3.45Å; S105-Q109 PolarHBondContact O-N 3.46Å; E106-Q109 WeakPolarHBondContact O-CB 3.46Å; E106-Q109 PolarHBondContact O-N 3.15Å; Y107-Q109 VanDerWaalsContact C-N 3.28Å; Y107-Q109 PolarHBondContact O-N 2.91Å; Q109-G112 WeakPolarHBondContact O-CA 3.26Å; Q109-G112 PolarHBondContact O-N 3.2Å; Q109-G112 VanDerWaalsContact O-N 3.17Å; Q109-E113 PolarHBondContact O-N 2.91Å
110M91.1Very high92.9Very high18 Ų1872.4 Ų72.49%0.08938%0.376CS..Hα-helixtrans-61-44.8178.4-75.3-169.572.500112.4Y18 F64 M94 L102 E106 Y107 G112 E113 R114Y18-M110 HydrophobicContact CE1-CE 3.75Å; Y18-M110 HydrophobicContact CE1-SD 4.32Å; F64-M110 HydrophobicContact CD2-CE 4.02Å; F64-M110 HydrophobicContact CE2-CB 4.01Å; F64-M110 HydrophobicContact CE2-CE 3.48Å; F64-M110 VanDerWaalsContact CE2-CE 3.48Å; F64-M110 HydrophobicContact CE2-CG 4.44Å; F64-M110 HydrophobicContact CZ-CB 4.48Å; F64-M110 HydrophobicContact CZ-CE 4.24Å; M94-M110 HydrophobicContact CG-CE 4.4Å; M94-M110 HydrophobicContact CG-SD 4.43Å; M94-M110 HydrophobicContact SD-CE 3.65Å; M94-M110 HydrophobicContact SD-SD 3.83Å; L102-M110 HydrophobicContact CD1-SD 3.79Å; L102-M110 HydrophobicContact CD2-SD 4.16Å; E106-M110 WeakPolarHBondContact O-CG 3.42Å; E106-M110 PolarHBondContact O-N 3.23Å; Y107-M110 WeakPolarHBondContact O-CB 3.39Å; Y107-M110 PolarHBondContact O-N 2.83Å; Y107-M110 VanDerWaalsContact O-N 3.17Å; M110-G112 VanDerWaalsContact C-N 3.3Å; M110-G112 PolarHBondContact O-N 3.27Å; M110-E113 WeakPolarHBondContact O-CB 3.5Å; M110-E113 PolarHBondContact O-N 3.2Å; M110-E113 VanDerWaalsContact O-N 3.13Å; M110-R114 PolarHBondContact O-N 3.18Å
111E93.6Very high93.3Very high32 Ų3271 Ų7115%0.1536%0.362CS..Hα-helixtrans-64.5-35.7174.1-72.2-57.992.600112.2Y18 Y107 E113 R114 L115Y18-E111 WeakPolarHBondContact CE2-OE1 3.29Å; Y18-E111 PolarHBondContact OH-OE1 3.42Å; Y107-E111 HydrophobicContact CD1-CG 4.28Å; Y107-E111 HydrophobicContact CE1-CG 3.72Å; Y107-E111 HydrophobicContact CE2-CG 4.04Å; Y107-E111 PolarHBondContact O-N 3.22Å; E111-E113 VanDerWaalsContact C-N 3.31Å; E111-E113 PolarHBondContact O-N 2.94Å; E111-R114 PolarHBondContact O-N 3.49Å; E111-R114 VanDerWaalsContact OE1-CD 3.31Å; E111-R114 WeakPolarHBondContact OE1-CD 3.23Å; E111-R114 IonicContact OE1-CZ 2.87Å; E111-R114 IonicContact OE1-NE 3.81Å; E111-R114 IonicContact OE1-NH1 3.8Å; E111-R114 PolarHBondContact OE1-NH1 2.87Å; E111-R114 IonicContact OE2-NH1 3.35Å; E111-L115 WeakPolarHBondContact O-CB 3.46Å; E111-L115 PolarHBondContact O-N 2.94Å
112G95.1Very high93.6Very high28 Ų2867 Ų6729%0.28934%0.343SS..Hα-helixtrans-61.2-38171.700000112.9C108 Q109 M110 K116C108-G112 PolarHBondContact O-N 2.82Å; Q109-G112 WeakPolarHBondContact O-CA 3.26Å; Q109-G112 PolarHBondContact O-N 3.2Å; Q109-G112 VanDerWaalsContact O-N 3.17Å; M110-G112 VanDerWaalsContact C-N 3.3Å; M110-G112 PolarHBondContact O-N 3.27Å; G112-K116 VanDerWaalsContact O-CG 3.29Å; G112-K116 WeakPolarHBondContact O-CG 3.35Å; G112-K116 PolarHBondContact O-N 3.18Å; G112-K116 VanDerWaalsContact O-N 3.16Å
113E94.1Very high94Very high69 Ų6968.5 Ų68.532%0.32236%0.357SS..Hα-helixtrans-68.3-43.9173.8-71.5177.1-177.500111.9F64 Q109 M110 E111 L115 K116 L117F64-E113 HydrophobicContact CE1-CB 4.33Å; F64-E113 HydrophobicContact CZ-CB 3.95Å; Q109-E113 PolarHBondContact O-N 2.91Å; M110-E113 WeakPolarHBondContact O-CB 3.5Å; M110-E113 PolarHBondContact O-N 3.2Å; M110-E113 VanDerWaalsContact O-N 3.13Å; E111-E113 VanDerWaalsContact C-N 3.31Å; E111-E113 PolarHBondContact O-N 2.94Å; E113-L115 VanDerWaalsContact C-N 3.35Å; E113-L115 PolarHBondContact O-N 3.47Å; E113-K116 WeakPolarHBondContact O-CB 3.32Å; E113-K116 PolarHBondContact O-N 2.95Å; E113-L117 WeakPolarHBondContact O-CG 3.49Å; E113-L117 PolarHBondContact O-N 2.94Å
114R94.6Very high94Very high2 Ų270.7 Ų70.71%0.00836%0.362CS..Hα-helixtrans-58.6-45.2174-78.2-175.455.1-167-7.9112.3Y11 F14 F63 F64 M110 E111 K116 L117 Y118Y11-R114 HydrophobicContact CE2-CB 4.4Å; Y11-R114 PolarHBondContact O-NH2 3.24Å; F14-R114 PolarHBondContact O-NH1 2.76Å; F14-R114 PolarHBondContact O-NH2 3Å; F63-R114 VanDerWaalsContact O-CZ 3.29Å; F63-R114 PolarHBondContact O-NE 3.31Å; F63-R114 VanDerWaalsContact O-NE 3.16Å; F64-R114 HydrophobicContact CB-CG 4.45Å; F64-R114 HydrophobicContact CD1-CG 4.14Å; F64-R114 VanDerWaalsContact CD2-CD 3.48Å; F64-R114 HydrophobicContact CD2-CG 3.48Å; F64-R114 VanDerWaalsContact CD2-CG 3.48Å; F64-R114 HydrophobicContact CE1-CG 4.21Å; F64-R114 HydrophobicContact CE2-CG 3.53Å; F64-R114 HydrophobicContact CG-CG 3.78Å; F64-R114 HydrophobicContact CZ-CG 3.93Å; M110-R114 PolarHBondContact O-N 3.18Å; E111-R114 PolarHBondContact O-N 3.49Å; E111-R114 VanDerWaalsContact OE1-CD 3.31Å; E111-R114 WeakPolarHBondContact OE1-CD 3.23Å; E111-R114 IonicContact OE1-CZ 2.87Å; E111-R114 IonicContact OE1-NE 3.81Å; E111-R114 IonicContact OE1-NH1 3.8Å; E111-R114 PolarHBondContact OE1-NH1 2.87Å; E111-R114 IonicContact OE2-NH1 3.35Å; R114-K116 VanDerWaalsContact C-N 3.33Å; R114-K116 PolarHBondContact O-N 2.7Å; R114-L117 PolarHBondContact O-N 3Å; R114-Y118 WeakPolarHBondContact O-CB 3.37Å; R114-Y118 PolarHBondContact O-N 2.9Å
115L95.8Very high93.9Very high72 Ų7265.9 Ų65.938%0.37733%0.331SS..Hα-helixtrans-59.9-43.5177.6178.858.9000111.5Y11 E111 E113 L117 Y118 I119Y11-L115 HydrophobicContact CE1-CD1 4.39Å; Y11-L115 WeakPolarHBondContact OH-CB 3.3Å; Y11-L115 WeakPolarHBondContact OH-CD1 3.31Å; E111-L115 WeakPolarHBondContact O-CB 3.46Å; E111-L115 PolarHBondContact O-N 2.94Å; E113-L115 VanDerWaalsContact C-N 3.35Å; E113-L115 PolarHBondContact O-N 3.47Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L115-L117 PolarHBondContact O-N 2.98Å; L115-Y118 HydrophobicContact CD1-CD1 4.28Å; L115-Y118 PolarHBondContact O-N 2.71Å; L115-I119 HydrophobicContact CD1-CD1 3.83Å; L115-I119 HydrophobicContact CD1-CG1 4.04Å; L115-I119 HydrophobicContact CG-CD1 3.85Å; L115-I119 HydrophobicContact CG-CG1 4.45Å; L115-I119 VanDerWaalsContact O-CG1 3.3Å; L115-I119 WeakPolarHBondContact O-CG1 3.46Å; L115-I119 PolarHBondContact O-N 3.29Å
116K95.9Very high93.9Very high149 Ų14966.2 Ų66.265%0.64832%0.324SS*.Hα-helixtrans-60-43.8175.6-72.3168.6-173.3172.10111.8G112 E113 R114 R120G112-K116 VanDerWaalsContact O-CG 3.29Å; G112-K116 WeakPolarHBondContact O-CG 3.35Å; G112-K116 PolarHBondContact O-N 3.18Å; G112-K116 VanDerWaalsContact O-N 3.16Å; E113-K116 WeakPolarHBondContact O-CB 3.32Å; E113-K116 PolarHBondContact O-N 2.95Å; R114-K116 VanDerWaalsContact C-N 3.33Å; R114-K116 PolarHBondContact O-N 2.7Å; K116-R120 WeakPolarHBondContact O-CB 3.43Å; K116-R120 PolarHBondContact O-N 3.47Å
117L94.1Very high94.1Very high36 Ų3668.5 Ų68.519%0.18834%0.336CS..Hα-helixtrans-65.5-42.9178.8-68.3173.2000111.8F64 C65 E113 R114 L115 R120 K121F64-L117 HydrophobicContact CD1-CD1 4.32Å; F64-L117 HydrophobicContact CE1-CD1 4.25Å; C65-L117 HydrophobicContact CB-CD1 4.23Å; E113-L117 WeakPolarHBondContact O-CG 3.49Å; E113-L117 PolarHBondContact O-N 2.94Å; R114-L117 PolarHBondContact O-N 3Å; L115-L117 VanDerWaalsContact C-N 3.34Å; L115-L117 PolarHBondContact O-N 2.98Å; L117-R120 VanDerWaalsContact CD2-NH2 3.32Å; L117-R120 PolarHBondContact O-N 2.82Å; L117-K121 PolarHBondContact O-N 3.19Å
118Y94.8Very high94.3Very high31 Ų3166.1 Ų66.112%0.12233%0.333CS..Hα-helixtrans-60.3-53.4175.1167.7-107.1000111.8T8 Y11 L66 R114 L115 R120 K121 I122T8-Y118 WeakPolarHBondContact CB-OH 3.43Å; T8-Y118 PolarHBondContact OG1-OH 2.79Å; Y11-Y118 HydrophobicContact CD1-CD1 4.06Å; Y11-Y118 HydrophobicContact CD1-CD2 4.46Å; Y11-Y118 HydrophobicContact CD1-CE1 4.17Å; Y11-Y118 HydrophobicContact CD1-CG 4.21Å; Y11-Y118 HydrophobicContact CD2-CD1 4.15Å; Y11-Y118 HydrophobicContact CD2-CD2 4.04Å; Y11-Y118 AromaticContact CD2-CG 3.63Å; Y11-Y118 HydrophobicContact CD2-CG 3.63Å; Y11-Y118 HydrophobicContact CE1-CD1 4.31Å; Y11-Y118 HydrophobicContact CE2-CD1 4.38Å; Y11-Y118 HydrophobicContact CE2-CG 4.18Å; Y11-Y118 AromaticContact CG-CD1 3.98Å; Y11-Y118 HydrophobicContact CG-CD1 3.98Å; Y11-Y118 AromaticContact CG-CD2 3.74Å; Y11-Y118 HydrophobicContact CG-CD2 3.74Å; Y11-Y118 HydrophobicContact CG-CE1 4.37Å; Y11-Y118 HydrophobicContact CG-CE2 4.15Å; Y11-Y118 AromaticContact CG-CG 3.65Å; Y11-Y118 HydrophobicContact CG-CG 3.65Å; L66-Y118 HydrophobicContact CD1-CD2 4.23Å; R114-Y118 WeakPolarHBondContact O-CB 3.37Å; R114-Y118 PolarHBondContact O-N 2.9Å; L115-Y118 HydrophobicContact CD1-CD1 4.28Å; L115-Y118 PolarHBondContact O-N 2.71Å; Y118-R120 VanDerWaalsContact C-N 3.27Å; Y118-R120 PolarHBondContact O-N 2.88Å; Y118-K121 PolarHBondContact O-N 3.14Å; Y118-K121 VanDerWaalsContact O-N 3.08Å; Y118-I122 HydrophobicContact CD2-CD1 4.37Å; Y118-I122 HydrophobicContact CD2-CG1 3.83Å; Y118-I122 HydrophobicContact CE1-CG1 4.16Å; Y118-I122 HydrophobicContact CE2-CD1 3.63Å; Y118-I122 HydrophobicContact CE2-CG1 3.38Å; Y118-I122 HydrophobicContact CG-CG1 4.4Å; Y118-I122 WeakPolarHBondContact O-CG1 3.27Å; Y118-I122 PolarHBondContact O-N 2.61Å
119I96.1Very high94.3Very high88 Ų8866.3 Ų66.345%0.45132%0.324SS..Hα-helixtrans-55-47178.3-69.6168.6000110.1L115 K121 I122 S123L115-I119 HydrophobicContact CD1-CD1 3.83Å; L115-I119 HydrophobicContact CD1-CG1 4.04Å; L115-I119 HydrophobicContact CG-CD1 3.85Å; L115-I119 HydrophobicContact CG-CG1 4.45Å; L115-I119 VanDerWaalsContact O-CG1 3.3Å; L115-I119 WeakPolarHBondContact O-CG1 3.46Å; L115-I119 PolarHBondContact O-N 3.29Å; I119-K121 PolarHBondContact O-N 3.42Å; I119-I122 PolarHBondContact O-N 3.35Å; I119-S123 WeakPolarHBondContact O-CB 3.39Å; I119-S123 PolarHBondContact O-N 2.87Å; I119-S123 PolarHBondContact O-OG 2.85Å
120R94.9Very high94.4Very high139 Ų13965 Ų6553%0.52532%0.321SS..Hα-helixtrans-58.3-46178-176.9177.666.2147.50.2112.2K116 L117 Y118 S123 H124K116-R120 WeakPolarHBondContact O-CB 3.43Å; K116-R120 PolarHBondContact O-N 3.47Å; L117-R120 VanDerWaalsContact CD2-NH2 3.32Å; L117-R120 PolarHBondContact O-N 2.82Å; Y118-R120 VanDerWaalsContact C-N 3.27Å; Y118-R120 PolarHBondContact O-N 2.88Å; R120-S123 PolarHBondContact O-N 3.23Å; R120-H124 PolarHBondContact O-N 3.4Å; R120-H124 PolarHBondContact O-ND1 3.49Å
121K92.4Very high94.7Very high63 Ų6371.9 Ų71.927%0.27435%0.345SS..Hα-helixtrans-62.8-46.1178.3-86.5177.2168.4-101.50111.8C65 L66 L117 Y118 I119 H124 K125C65-K121 VanDerWaalsContact O-CE 3.31Å; C65-K121 WeakPolarHBondContact O-CE 3.31Å; L66-K121 HydrophobicContact CB-CD 3.7Å; L66-K121 HydrophobicContact CD1-CD 4.18Å; L66-K121 VanDerWaalsContact O-CE 3.32Å; L66-K121 WeakPolarHBondContact O-CE 3.21Å; L66-K121 PolarHBondContact O-NZ 2.61Å; L117-K121 PolarHBondContact O-N 3.19Å; Y118-K121 PolarHBondContact O-N 3.14Å; Y118-K121 VanDerWaalsContact O-N 3.08Å; I119-K121 PolarHBondContact O-N 3.42Å; K121-H124 PolarHBondContact O-N 3.45Å; K121-K125 WeakPolarHBondContact O-CB 3.27Å; K121-K125 PolarHBondContact O-N 3.2Å
122I94.6Very high94.9Very high27 Ų2773.8 Ų73.814%0.13836%0.357CS..Hα-helixtrans-61.6-45.2177.2-65.9-66.2000111.1V4 L7 Y118 I119 H124 K125 M126V4-I122 HydrophobicContact CB-CD1 4.47Å; V4-I122 HydrophobicContact CG1-CD1 4.14Å; V4-I122 HydrophobicContact CG2-CD1 4.43Å; L7-I122 HydrophobicContact CB-CD1 3.73Å; L7-I122 HydrophobicContact CD1-CD1 3.95Å; Y118-I122 HydrophobicContact CD2-CD1 4.37Å; Y118-I122 HydrophobicContact CD2-CG1 3.83Å; Y118-I122 HydrophobicContact CE1-CG1 4.16Å; Y118-I122 HydrophobicContact CE2-CD1 3.63Å; Y118-I122 HydrophobicContact CE2-CG1 3.38Å; Y118-I122 HydrophobicContact CG-CG1 4.4Å; Y118-I122 WeakPolarHBondContact O-CG1 3.27Å; Y118-I122 PolarHBondContact O-N 2.61Å; I119-I122 PolarHBondContact O-N 3.35Å; I122-H124 PolarHBondContact O-N 3.43Å; I122-K125 PolarHBondContact O-N 2.98Å; I122-M126 WeakPolarHBondContact O-CB 3.47Å; I122-M126 PolarHBondContact O-N 2.87Å
123S95.6Very high94.9Very high61 Ų6176.5 Ų76.543%0.42736%0.364SS..Hα-helixtrans-59.7-48176.7-620000111.7I119 R120 K125 M126 M127I119-S123 WeakPolarHBondContact O-CB 3.39Å; I119-S123 PolarHBondContact O-N 2.87Å; I119-S123 PolarHBondContact O-OG 2.85Å; R120-S123 PolarHBondContact O-N 3.23Å; S123-K125 VanDerWaalsContact C-N 3.31Å; S123-K125 PolarHBondContact O-N 3.47Å; S123-M126 PolarHBondContact O-N 3.3Å; S123-M127 WeakPolarHBondContact O-CB 3.41Å; S123-M127 VanDerWaalsContact O-CG 3.23Å; S123-M127 WeakPolarHBondContact O-CG 3.41Å; S123-M127 PolarHBondContact O-N 2.83Å
124H93.9Very high95.1Very high121 Ų12179.6 Ų79.656%0.5638%0.381SS*.Hα-helixtrans-60-42.7176.6-71.1159.9000112.3R120 K121 I122 M127 A128R120-H124 PolarHBondContact O-N 3.4Å; R120-H124 PolarHBondContact O-ND1 3.49Å; K121-H124 PolarHBondContact O-N 3.45Å; I122-H124 PolarHBondContact O-N 3.43Å; H124-M127 PolarHBondContact O-N 3.38Å; H124-A128 PolarHBondContact O-N 2.87Å
125K91.9Very high95.3Very high15 Ų1583.4 Ų83.47%0.06540%0.401CS..Hα-helixtrans-63-46.9179-169.781.2-170-1590111.5M1 E2 V4 K121 I122 S123 M127 A128 Y129M1-K125 VanDerWaalsContact C-NZ 3.32Å; M1-K125 HydrophobicContact CE-CD 4.08Å; M1-K125 PolarHBondContact O-NZ 2.96Å; M1-K125 VanDerWaalsContact O-NZ 3.1Å; M1-K125 HydrophobicContact SD-CD 4.25Å; M1-K125 PolarHBondContact SD-NZ 3.02Å; M1-K125 VanDerWaalsContact SD-NZ 3.4Å; E2-K125 WeakPolarHBondContact O-CE 3.25Å; E2-K125 PolarHBondContact O-NZ 2.92Å; V4-K125 HydrophobicContact CG2-CG 4.18Å; K121-K125 WeakPolarHBondContact O-CB 3.27Å; K121-K125 PolarHBondContact O-N 3.2Å; I122-K125 PolarHBondContact O-N 2.98Å; S123-K125 VanDerWaalsContact C-N 3.31Å; S123-K125 PolarHBondContact O-N 3.47Å; K125-M127 VanDerWaalsContact C-N 3.33Å; K125-M127 PolarHBondContact O-N 3.49Å; K125-A128 WeakPolarHBondContact O-CB 3.13Å; K125-A128 PolarHBondContact O-N 2.78Å; K125-Y129 HydrophobicContact CD-CE2 4.1Å; K125-Y129 WeakPolarHBondContact CE-OH 3.32Å; K125-Y129 HydrophobicContact CG-CD2 4.01Å; K125-Y129 HydrophobicContact CG-CE2 3.51Å; K125-Y129 WeakPolarHBondContact O-CD2 3.49Å; K125-Y129 PolarHBondContact O-N 2.92Å
126M94.3Very high95.4Very high94 Ų9485 Ų8546%0.46341%0.405SS..Hα-helixtrans-61.5-42.7177.2-169.566.880.200111.4I122 S123 A128 Y129 L130I122-M126 WeakPolarHBondContact O-CB 3.47Å; I122-M126 PolarHBondContact O-N 2.87Å; S123-M126 PolarHBondContact O-N 3.3Å; M126-A128 VanDerWaalsContact C-N 3.31Å; M126-A128 PolarHBondContact O-N 3.29Å; M126-Y129 PolarHBondContact O-N 2.89Å; M126-L130 HydrophobicContact CG-CD1 4.37Å; M126-L130 WeakPolarHBondContact O-CG 3.45Å; M126-L130 PolarHBondContact O-N 2.85Å
127M96.1Very high95.4Very high114 Ų11481 Ų8156%0.56239%0.393SS*.Hα-helixtrans-63.8-35.6176.2-70-57.4-61.400112.7S123 H124 K125 L130 R131S123-M127 WeakPolarHBondContact O-CB 3.41Å; S123-M127 VanDerWaalsContact O-CG 3.23Å; S123-M127 WeakPolarHBondContact O-CG 3.41Å; S123-M127 PolarHBondContact O-N 2.83Å; H124-M127 PolarHBondContact O-N 3.38Å; K125-M127 VanDerWaalsContact C-N 3.33Å; K125-M127 PolarHBondContact O-N 3.49Å; M127-L130 HydrophobicContact SD-CD1 4.41Å; M127-R131 WeakPolarHBondContact O-CB 3.24Å; M127-R131 PolarHBondContact O-N 3.25Å; M127-R131 VanDerWaalsContact O-N 3.11Å
128A95.2Very high95.6Very high32 Ų3283.2 Ų83.226%0.26441%0.405SS..Hα-helixtrans-66.1-47.217400000111.4H124 K125 M126 L130 R131 D132H124-A128 PolarHBondContact O-N 2.87Å; K125-A128 WeakPolarHBondContact O-CB 3.13Å; K125-A128 PolarHBondContact O-N 2.78Å; M126-A128 VanDerWaalsContact C-N 3.31Å; M126-A128 PolarHBondContact O-N 3.29Å; A128-L130 PolarHBondContact O-N 3.01Å; A128-R131 WeakPolarHBondContact O-CB 3.5Å; A128-R131 PolarHBondContact O-N 3.3Å; A128-R131 VanDerWaalsContact O-N 3.15Å; A128-D132 PolarHBondContact O-N 3.02Å
129Y93.3Very high95.7Very high81 Ų8186.1 Ų86.132%0.31842%0.422SS..Hα-helixtrans-57.9-46.1176.2-74.9-56.1000112.7V4 K125 M126 R131 D132 D133V4-Y129 HydrophobicContact CG2-CE2 4.26Å; K125-Y129 HydrophobicContact CD-CE2 4.1Å; K125-Y129 WeakPolarHBondContact CE-OH 3.32Å; K125-Y129 HydrophobicContact CG-CD2 4.01Å; K125-Y129 HydrophobicContact CG-CE2 3.51Å; K125-Y129 WeakPolarHBondContact O-CD2 3.49Å; K125-Y129 PolarHBondContact O-N 2.92Å; M126-Y129 PolarHBondContact O-N 2.89Å; Y129-R131 VanDerWaalsContact C-N 3.28Å; Y129-R131 PolarHBondContact O-N 3.29Å; Y129-D132 PolarHBondContact O-N 3.34Å; Y129-D133 WeakPolarHBondContact O-CB 3.29Å; Y129-D133 PolarHBondContact O-N 3.45Å
130L96.1Very high95.8Very high94 Ų9488.7 Ų88.749%0.49243%0.426SS..Hα-helixtrans-60.5-39.7177.6-72.5171.4000111.9M126 M127 A128 M134M126-L130 HydrophobicContact CG-CD1 4.37Å; M126-L130 WeakPolarHBondContact O-CG 3.45Å; M126-L130 PolarHBondContact O-N 2.85Å; M127-L130 HydrophobicContact SD-CD1 4.41Å; A128-L130 PolarHBondContact O-N 3.01Å; L130-M134 WeakPolarHBondContact O-CG 3.39Å; L130-M134 PolarHBondContact O-N 3.4Å
131R96.9Very high95.9Very high161 Ų16186.9 Ų86.961%0.60843%0.426SS*.Hα-helixtrans-63.6-51.1176.2-176.8-173.4-57.6-87.8-3.3111.3M127 A128 Y129 D133 M134 D135M127-R131 WeakPolarHBondContact O-CB 3.24Å; M127-R131 PolarHBondContact O-N 3.25Å; M127-R131 VanDerWaalsContact O-N 3.11Å; A128-R131 WeakPolarHBondContact O-CB 3.5Å; A128-R131 PolarHBondContact O-N 3.3Å; A128-R131 VanDerWaalsContact O-N 3.15Å; Y129-R131 VanDerWaalsContact C-N 3.28Å; Y129-R131 PolarHBondContact O-N 3.29Å; R131-D133 PolarHBondContact O-N 3.36Å; R131-M134 WeakPolarHBondContact O-CB 3.46Å; R131-M134 PolarHBondContact O-N 2.85Å; R131-M134 VanDerWaalsContact O-N 3.14Å; R131-D135 PolarHBondContact O-N 3.33Å
132D96.6Very high96.1Very high73 Ų7388.6 Ų88.639%0.3943%0.434SS..Hα-helixtrans-59.3-38.6-179.7-66.7-10.8000111.4A128 Y129 D135 K136A128-D132 PolarHBondContact O-N 3.02Å; Y129-D132 PolarHBondContact O-N 3.34Å; D132-D135 PolarHBondContact O-N 3.09Å; D132-K136 VanDerWaalsContact O-CG 3.25Å; D132-K136 WeakPolarHBondContact O-CG 2.91Å; D132-K136 PolarHBondContact O-N 3.37Å
133D96.8Very high96.2Very high84 Ų8490.4 Ų90.445%0.44945%0.449SS..Hα-helixtrans-71.7-37.2178.1-76.6-10.3000112.6Y129 R131 K136 V137Y129-D133 WeakPolarHBondContact O-CB 3.29Å; Y129-D133 PolarHBondContact O-N 3.45Å; R131-D133 PolarHBondContact O-N 3.36Å; D133-K136 PolarHBondContact O-N 2.91Å; D133-K136 IonicContact OD1-NZ 2.69Å; D133-K136 PolarHBondContact OD1-NZ 3.41Å; D133-V137 VanDerWaalsContact O-CG2 3.23Å; D133-V137 WeakPolarHBondContact O-CG2 3.49Å; D133-V137 PolarHBondContact O-N 3.41Å
134M97.7Very high96.2Very high135 Ų13593.2 Ų93.267%0.66546%0.455SS*.Hα-helixtrans-60.6-44.8171-78.4179.456.300111.7L130 R131 K136 V137 L138L130-M134 WeakPolarHBondContact O-CG 3.39Å; L130-M134 PolarHBondContact O-N 3.4Å; R131-M134 WeakPolarHBondContact O-CB 3.46Å; R131-M134 PolarHBondContact O-N 2.85Å; R131-M134 VanDerWaalsContact O-N 3.14Å; M134-K136 PolarHBondContact O-N 2.59Å; M134-V137 PolarHBondContact O-N 2.92Å; M134-L138 WeakPolarHBondContact O-CB 3.36Å; M134-L138 PolarHBondContact O-N 3.39Å
135D97.9Very high96.2Very high81 Ų8193.4 Ų93.443%0.43346%0.46SS..Hα-helixtrans-62.5-44.5179.5-70-23.1000110.8R131 D132 V137 L138 D139R131-D135 PolarHBondContact O-N 3.33Å; D132-D135 PolarHBondContact O-N 3.09Å; D135-V137 VanDerWaalsContact C-N 3.34Å; D135-V137 PolarHBondContact O-N 3.41Å; D135-L138 WeakPolarHBondContact O-CB 3.4Å; D135-L138 PolarHBondContact O-N 3.34Å; D135-D139 PolarHBondContact O-N 3.17Å
136K97.6Very high96.2Very high106 Ų106100.4 Ų100.446%0.46149%0.492SS..Hα-helixtrans-61.1-39.6174.1-68.1167.3-159.6156.20112.9D132 D133 M134 R140D132-K136 VanDerWaalsContact O-CG 3.25Å; D132-K136 WeakPolarHBondContact O-CG 2.91Å; D132-K136 PolarHBondContact O-N 3.37Å; D133-K136 PolarHBondContact O-N 2.91Å; D133-K136 IonicContact OD1-NZ 2.69Å; D133-K136 PolarHBondContact OD1-NZ 3.41Å; M134-K136 PolarHBondContact O-N 2.59Å; K136-R140 WeakPolarHBondContact O-CG 3.43Å; K136-R140 PolarHBondContact O-N 3.13Å; K136-R140 VanDerWaalsContact O-N 3.14Å; K136-R140 PolarHBondContact O-NH1 3.08Å
137V97.8Very high95.9Very high65 Ų65101.3 Ų101.339%0.39450%0.503SS..Hα-helixtrans-63.5-45.9176.2170.60000109.9D133 M134 D135 D139 R140 L141D133-V137 VanDerWaalsContact O-CG2 3.23Å; D133-V137 WeakPolarHBondContact O-CG2 3.49Å; D133-V137 PolarHBondContact O-N 3.41Å; M134-V137 PolarHBondContact O-N 2.92Å; D135-V137 VanDerWaalsContact C-N 3.34Å; D135-V137 PolarHBondContact O-N 3.41Å; V137-D139 PolarHBondContact O-N 3.08Å; V137-R140 PolarHBondContact O-N 3.43Å; V137-L141 HydrophobicContact CG1-CD1 4.1Å; V137-L141 WeakPolarHBondContact O-CG 3.47Å; V137-L141 PolarHBondContact O-N 2.73Å
138L97.4Very high94.9Very high83 Ų83105.1 Ų105.144%0.43552%0.524SS..Hα-helixtrans-61.2-44.6180-178.664.4000111.7M134 D135 R140 L141 K142M134-L138 WeakPolarHBondContact O-CB 3.36Å; M134-L138 PolarHBondContact O-N 3.39Å; D135-L138 WeakPolarHBondContact O-CB 3.4Å; D135-L138 PolarHBondContact O-N 3.34Å; L138-R140 VanDerWaalsContact C-N 3.35Å; L138-R140 PolarHBondContact O-N 3.31Å; L138-L141 PolarHBondContact O-N 3.08Å; L138-K142 HydrophobicContact CG-CD 4.41Å; L138-K142 WeakPolarHBondContact O-CG 3.22Å; L138-K142 PolarHBondContact O-N 3.18Å
139D97.5Very high94.9Very high91 Ų91108.8 Ų108.849%0.48754%0.537SS..Hα-helixtrans-65.1-38.4179.1-71.2-16.6000112.1D135 V137 L141 K142 S143D135-D139 PolarHBondContact O-N 3.17Å; V137-D139 PolarHBondContact O-N 3.08Å; D139-L141 PolarHBondContact O-N 3.34Å; D139-K142 PolarHBondContact O-N 2.84Å; D139-K142 IonicContact OD1-NZ 3.86Å; D139-S143 WeakPolarHBondContact O-CB 3.09Å; D139-S143 PolarHBondContact O-N 3.07Å
140R97.1Very high95Very high143 Ų143110.2 Ų110.254%0.5455%0.549SS..Hα-helixtrans-61-44172.6-74.3-168.9-56.7-90.38.4112.1K136 V137 L138 S143 Q144K136-R140 WeakPolarHBondContact O-CG 3.43Å; K136-R140 PolarHBondContact O-N 3.13Å; K136-R140 VanDerWaalsContact O-N 3.14Å; K136-R140 PolarHBondContact O-NH1 3.08Å; V137-R140 PolarHBondContact O-N 3.43Å; L138-R140 VanDerWaalsContact C-N 3.35Å; L138-R140 PolarHBondContact O-N 3.31Å; R140-S143 PolarHBondContact O-N 3.08Å; R140-Q144 WeakPolarHBondContact O-CG 3.08Å; R140-Q144 PolarHBondContact O-N 3.46Å; R140-Q144 VanDerWaalsContact O-N 3.07Å
141L96.9Very high94.9Very high100 Ų100111.1 Ų111.152%0.52455%0.552SS.*Hα-helixtrans-66-40.5179.3-69.6173000112V137 L138 D139 Q144 L145V137-L141 HydrophobicContact CG1-CD1 4.1Å; V137-L141 WeakPolarHBondContact O-CG 3.47Å; V137-L141 PolarHBondContact O-N 2.73Å; L138-L141 PolarHBondContact O-N 3.08Å; D139-L141 PolarHBondContact O-N 3.34Å; L141-Q144 PolarHBondContact O-N 3.02Å; L141-L145 PolarHBondContact O-N 2.94Å; L141-L145 VanDerWaalsContact O-N 3.13Å
142K96.9Very high94.8Very high100 Ų100108.2 Ų108.244%0.43555%0.548SS..Hα-helixtrans-62.3-47.4175-73172.5-177.3163.60111.7L138 D139 Q144 L145 E146L138-K142 HydrophobicContact CG-CD 4.41Å; L138-K142 WeakPolarHBondContact O-CG 3.22Å; L138-K142 PolarHBondContact O-N 3.18Å; D139-K142 PolarHBondContact O-N 2.84Å; D139-K142 IonicContact OD1-NZ 3.86Å; K142-Q144 VanDerWaalsContact C-N 3.28Å; K142-Q144 PolarHBondContact O-N 3.12Å; K142-L145 WeakPolarHBondContact O-CB 3.15Å; K142-L145 PolarHBondContact O-N 2.69Å; K142-E146 WeakPolarHBondContact O-CG 3.38Å; K142-E146 PolarHBondContact O-N 2.72Å
143S95.9Very high94.7Very high65 Ų65110.4 Ų110.446%0.45556%0.558SS.*Hα-helixtrans-60.1-39178.4177.50000112D139 R140 L145 E146 T147D139-S143 WeakPolarHBondContact O-CB 3.09Å; D139-S143 PolarHBondContact O-N 3.07Å; R140-S143 PolarHBondContact O-N 3.08Å; S143-L145 VanDerWaalsContact C-N 3.34Å; S143-L145 PolarHBondContact O-N 3.26Å; S143-E146 PolarHBondContact O-N 2.94Å; S143-T147 WeakPolarHBondContact O-CG2 3.28Å; S143-T147 PolarHBondContact O-N 2.83Å; S143-T147 PolarHBondContact O-OG1 2.82Å
144Q95.8Very high94.6Very high120 Ų120112.1 Ų112.156%0.56157%0.565SS**Hα-helixtrans-63.5-38.6174.5-74.9179.4-33.700112.7R140 L141 K142 T147 I148R140-Q144 WeakPolarHBondContact O-CG 3.08Å; R140-Q144 PolarHBondContact O-N 3.46Å; R140-Q144 VanDerWaalsContact O-N 3.07Å; L141-Q144 PolarHBondContact O-N 3.02Å; K142-Q144 VanDerWaalsContact C-N 3.28Å; K142-Q144 PolarHBondContact O-N 3.12Å; Q144-T147 WeakPolarHBondContact CA-OG1 3.24Å; Q144-T147 PolarHBondContact O-N 3.48Å; Q144-T147 PolarHBondContact O-OG1 3.11Å; Q144-I148 WeakPolarHBondContact O-CG1 3.17Å
145L94.3Very high94.3Very high125 Ų125110.5 Ų110.565%0.65456%0.558SS**Hα-helixtrans-67.8-37.9177.7-173.966.9000112.1L141 K142 S143 T147 I148L141-L145 PolarHBondContact O-N 2.94Å; L141-L145 VanDerWaalsContact O-N 3.13Å; K142-L145 WeakPolarHBondContact O-CB 3.15Å; K142-L145 PolarHBondContact O-N 2.69Å; S143-L145 VanDerWaalsContact C-N 3.34Å; S143-L145 PolarHBondContact O-N 3.26Å; L145-T147 PolarHBondContact O-N 3.03Å; L145-I148 PolarHBondContact O-N 3.41Å
146E92.3Very high94.1Very high161 Ų161112.8 Ų112.875%0.75257%0.568SS**Hα-helixtrans-71.2-18178.5-70171.6179.200113.2K142 S143K142-E146 WeakPolarHBondContact O-CG 3.38Å; K142-E146 PolarHBondContact O-N 2.72Å; S143-E146 PolarHBondContact O-N 2.94Å
147T87.8Confident93.8Very high113 Ų113113.3 Ų113.369%0.69358%0.577SS**THydrogen-bonded Turntrans-89.81.417653.70000114.6S143 Q144 L145S143-T147 WeakPolarHBondContact O-CG2 3.28Å; S143-T147 PolarHBondContact O-N 2.83Å; S143-T147 PolarHBondContact O-OG1 2.82Å; Q144-T147 WeakPolarHBondContact CA-OG1 3.24Å; Q144-T147 PolarHBondContact O-N 3.48Å; Q144-T147 PolarHBondContact O-OG1 3.11Å; L145-T147 PolarHBondContact O-N 3.03Å
148I75.5Confident93.4Very high194 Ų194117.7 Ų117.7100%0.99559%0.594SS**  trans-103.90176.9-64.2170000109.5Q144 L145Q144-I148 WeakPolarHBondContact O-CG1 3.17Å; L145-I148 PolarHBondContact O-N 3.41Å

Retrieved 148 of 148 residues in 333.4 ms (Link to these results)

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