F7HRZ4_MACMU Loading...

Zinc finger CCCH-type containing, antiviral 1 like

AlphaFold DB , UniProt , Accession F7HRZ4, Species MACMU (Macaca mulatta, Rhesus macaque), Gene ZC3HAV1L, Length 300 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
1M48.5Very low84.2Confident218 Ų21862.3 Ų62.3100%1.07433%0.334SS*.  0136.70-67.2-169.9-105.800108.5R43M1-R43 PolarHBondContact O-NH1 2.88Å
2A61.2Low85.2Confident10 Ų1064.8 Ų64.88%0.08334%0.339CS..  trans-61.6151.5169.200000109.9P4 C7 V40 R43 A44A2-P4 VanDerWaalsContact O-CD 3.28Å; A2-P4 WeakPolarHBondContact O-CD 3.47Å; A2-C7 VanDerWaalsContact CB-SG 3.55Å; A2-V40 HydrophobicContact CB-CG1 4.3Å; A2-R43 HydrophobicContact CB-CB 4.16Å; A2-A44 HydrophobicContact CB-CB 4.11Å
3E78.1Confident86.2Confident120 Ų12060.8 Ų60.856%0.56132%0.32SS*.  trans-62.7116.9-176.4-155.6-168.6144.500109.9T5 V6 C7E3-T5 VanDerWaalsContact CD-OG1 3.31Å; E3-T5 WeakPolarHBondContact CG-OG1 3.45Å; E3-T5 PolarHBondContact O-N 3.44Å; E3-T5 VanDerWaalsContact O-N 3.14Å; E3-T5 PolarHBondContact OE1-OG1 3.46Å; E3-V6 HydrophobicContact CB-CB 4.17Å; E3-V6 HydrophobicContact CB-CG2 3.86Å; E3-V6 HydrophobicContact CG-CG2 4.35Å; E3-V6 PolarHBondContact O-N 3.29Å; E3-V6 WeakPolarHBondContact OE2-CG2 3.26Å; E3-C7 PolarHBondContact O-N 3.08Å; E3-C7 VanDerWaalsContact O-N 3.08Å
4P81.6Confident87Confident91 Ų9156.5 Ų56.559%0.59130%0.297SS*.Hα-helixtrans-58.3-32.2-170.2-28.135.7000114.4A2 S8A2-P4 VanDerWaalsContact O-CD 3.28Å; A2-P4 WeakPolarHBondContact O-CD 3.47Å; P4-S8 PolarHBondContact O-N 3.1Å
5T87.2Confident87.8Confident88 Ų8852.9 Ų52.954%0.5428%0.278SS..Hα-helixtrans-62.6-51.1174.242.30000111.6E3 C7 S8 F9E3-T5 VanDerWaalsContact CD-OG1 3.31Å; E3-T5 WeakPolarHBondContact CG-OG1 3.45Å; E3-T5 PolarHBondContact O-N 3.44Å; E3-T5 VanDerWaalsContact O-N 3.14Å; E3-T5 PolarHBondContact OE1-OG1 3.46Å; T5-C7 VanDerWaalsContact C-N 3.34Å; T5-C7 PolarHBondContact O-N 2.87Å; T5-S8 PolarHBondContact O-N 3.39Å; T5-F9 PolarHBondContact O-N 2.96Å
6V91.4Very high88.4Confident32 Ų3253.5 Ų53.519%0.19429%0.293CS..Hα-helixtrans-61.4-44178179.20000110.5E3 S8 F9 L10 V40E3-V6 HydrophobicContact CB-CB 4.17Å; E3-V6 HydrophobicContact CB-CG2 3.86Å; E3-V6 HydrophobicContact CG-CG2 4.35Å; E3-V6 PolarHBondContact O-N 3.29Å; E3-V6 WeakPolarHBondContact OE2-CG2 3.26Å; V6-S8 PolarHBondContact O-N 3.31Å; V6-F9 WeakPolarHBondContact O-CB 3.38Å; V6-F9 PolarHBondContact O-N 3.17Å; V6-L10 HydrophobicContact CG1-CD1 4.01Å; V6-L10 HydrophobicContact CG1-CG 4.28Å; V6-L10 VanDerWaalsContact O-CG 3.32Å; V6-L10 WeakPolarHBondContact O-CG 3.48Å; V6-L10 PolarHBondContact O-N 3.29Å; V6-V40 HydrophobicContact CG1-CG1 3.94Å
7C94.1Very high88.9Confident2 Ų255.9 Ų55.91%0.01430%0.301CS..Hα-helixtrans-63.6-39.6176.9-64.80000112.3A2 E3 T5 F9 L10 T11 F49A2-C7 VanDerWaalsContact CB-SG 3.55Å; E3-C7 PolarHBondContact O-N 3.08Å; E3-C7 VanDerWaalsContact O-N 3.08Å; T5-C7 VanDerWaalsContact C-N 3.34Å; T5-C7 PolarHBondContact O-N 2.87Å; C7-F9 VanDerWaalsContact C-N 3.34Å; C7-L10 PolarHBondContact O-N 2.92Å; C7-T11 PolarHBondContact O-N 2.99Å; C7-T11 PolarHBondContact O-OG1 3.18Å; C7-F49 HydrophobicContact CB-CE2 4Å; C7-F49 HydrophobicContact CB-CZ 4.22Å; C7-F49 WeakPolarHBondContact O-CZ 3.45Å
8S93.8Very high89.3Confident27 Ų2754.1 Ų54.119%0.18930%0.298CS..Hα-helixtrans-61.9-44.3174.6-175.40000111.3P4 T5 V6 T11 K12 G144 F146P4-S8 PolarHBondContact O-N 3.1Å; T5-S8 PolarHBondContact O-N 3.39Å; V6-S8 PolarHBondContact O-N 3.31Å; S8-T11 PolarHBondContact O-N 3.31Å; S8-K12 PolarHBondContact O-N 2.77Å; S8-G144 WeakPolarHBondContact CB-O 3.35Å; S8-G144 PolarHBondContact OG-O 3.3Å; S8-F146 PolarHBondContact OG-O 2.85Å
9F95.3Very high89.8Confident96 Ų9651.3 Ų51.342%0.42128%0.283SS..Hα-helixtrans-60.4-48.4176.3178.3-95000112.4T5 V6 C7 T11 K12 V13 H29 V30T5-F9 PolarHBondContact O-N 2.96Å; V6-F9 WeakPolarHBondContact O-CB 3.38Å; V6-F9 PolarHBondContact O-N 3.17Å; C7-F9 VanDerWaalsContact C-N 3.34Å; F9-T11 VanDerWaalsContact C-N 3.34Å; F9-T11 PolarHBondContact O-N 3.2Å; F9-K12 WeakPolarHBondContact O-CA 3.44Å; F9-K12 VanDerWaalsContact O-CB 3.3Å; F9-K12 WeakPolarHBondContact O-CB 3.15Å; F9-K12 PolarHBondContact O-N 3.09Å; F9-V13 HydrophobicContact CD1-CG2 4.11Å; F9-V13 HydrophobicContact CE1-CG2 3.58Å; F9-V13 HydrophobicContact CE2-CG2 4.23Å; F9-V13 HydrophobicContact CZ-CG2 3.67Å; F9-V13 WeakPolarHBondContact O-CG2 3.3Å; F9-V13 PolarHBondContact O-N 3.42Å; F9-H29 WeakPolarHBondContact CE1-O 3.41Å; F9-V30 HydrophobicContact CD1-CG1 3.96Å; F9-V30 HydrophobicContact CE1-CG1 3.55Å
10L96.9Very high90.1Very high0 Ų050.7 Ų50.70%028%0.276CS..Hα-helixtrans-61.3-41.3178.1-69.1174000111.8V6 C7 K12 V13 L14 L26 V30 L37 V40 L41 F49V6-L10 HydrophobicContact CG1-CD1 4.01Å; V6-L10 HydrophobicContact CG1-CG 4.28Å; V6-L10 VanDerWaalsContact O-CG 3.32Å; V6-L10 WeakPolarHBondContact O-CG 3.48Å; V6-L10 PolarHBondContact O-N 3.29Å; C7-L10 PolarHBondContact O-N 2.92Å; L10-K12 VanDerWaalsContact C-N 3.29Å; L10-K12 PolarHBondContact O-N 3.27Å; L10-V13 PolarHBondContact O-N 2.91Å; L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 3.5Å; L10-L14 PolarHBondContact O-N 3Å; L10-L26 HydrophobicContact CD2-CD1 4.01Å; L10-L26 HydrophobicContact CD2-CD2 4.25Å; L10-L26 HydrophobicContact CD2-CG 4.21Å; L10-V30 HydrophobicContact CD2-CG1 3.81Å; L10-L37 HydrophobicContact CD1-CD1 3.94Å; L10-L37 HydrophobicContact CD2-CD1 3.86Å; L10-V40 HydrophobicContact CD1-CG1 3.99Å; L10-L41 HydrophobicContact CD1-CD2 3.95Å; L10-F49 HydrophobicContact CB-CE1 3.94Å; L10-F49 HydrophobicContact CB-CZ 3.71Å; L10-F49 HydrophobicContact CD1-CZ 4.43Å
11T97.6Very high90.4Very high1 Ų149.5 Ų49.51%0.00627%0.269CS..Hα-helixtrans-60.2-41.8173.3-58.50000111C7 S8 F9 L14 C15 L145 L148 L156C7-T11 PolarHBondContact O-N 2.99Å; C7-T11 PolarHBondContact O-OG1 3.18Å; S8-T11 PolarHBondContact O-N 3.31Å; F9-T11 VanDerWaalsContact C-N 3.34Å; F9-T11 PolarHBondContact O-N 3.2Å; T11-L14 PolarHBondContact O-N 3.48Å; T11-C15 WeakPolarHBondContact O-CB 3.44Å; T11-C15 PolarHBondContact O-N 3.17Å; T11-C15 PolarHBondContact O-SG 2.85Å; T11-L145 HydrophobicContact CG2-CD2 3.85Å; T11-L148 HydrophobicContact CG2-CD1 4.32Å; T11-L156 HydrophobicContact CG2-CD1 4.45Å; T11-L156 HydrophobicContact CG2-CD2 4.12Å
12K97.1Very high92.6Very high92 Ų9242.4 Ų42.440%0.423%0.232SC..Hα-helixtrans-61.9-46177.5-172.4174.6-179.1166.20112.4S8 F9 L10 C15 A16 G147 L148 Q152S8-K12 PolarHBondContact O-N 2.77Å; F9-K12 WeakPolarHBondContact O-CA 3.44Å; F9-K12 VanDerWaalsContact O-CB 3.3Å; F9-K12 WeakPolarHBondContact O-CB 3.15Å; F9-K12 PolarHBondContact O-N 3.09Å; L10-K12 VanDerWaalsContact C-N 3.29Å; L10-K12 PolarHBondContact O-N 3.27Å; K12-C15 PolarHBondContact O-N 2.88Å; K12-A16 WeakPolarHBondContact O-CB 3.25Å; K12-A16 PolarHBondContact O-N 2.74Å; K12-G147 PolarHBondContact NZ-O 3.32Å; K12-L148 HydrophobicContact CB-CD2 3.82Å; K12-L148 HydrophobicContact CG-CD2 4.08Å; K12-Q152 VanDerWaalsContact CG-NE2 3.3Å; K12-Q152 PolarHBondContact O-NE2 2.92Å
13V97.5Very high94.2Very high14 Ų1442.1 Ų42.19%0.08523%0.229CC..Hα-helixtrans-61.6-52.6176.3174.70000110.1F9 L10 C15 A16 H17 M21 L26 H29F9-V13 HydrophobicContact CD1-CG2 4.11Å; F9-V13 HydrophobicContact CE1-CG2 3.58Å; F9-V13 HydrophobicContact CE2-CG2 4.23Å; F9-V13 HydrophobicContact CZ-CG2 3.67Å; F9-V13 WeakPolarHBondContact O-CG2 3.3Å; F9-V13 PolarHBondContact O-N 3.42Å; L10-V13 PolarHBondContact O-N 2.91Å; V13-C15 VanDerWaalsContact C-N 3.31Å; V13-C15 PolarHBondContact O-N 3.06Å; V13-A16 WeakPolarHBondContact O-CB 3.32Å; V13-A16 PolarHBondContact O-N 2.69Å; V13-H17 PolarHBondContact O-CD2 3.36Å; V13-H17 VanDerWaalsContact O-CD2 3.29Å; V13-H17 PolarHBondContact O-N 3.08Å; V13-H17 VanDerWaalsContact O-N 3.15Å; V13-M21 HydrophobicContact CG1-SD 4.14Å; V13-L26 HydrophobicContact CB-CD1 4.28Å; V13-L26 HydrophobicContact CG1-CD1 3.77Å; V13-H29 HydrophobicContact CG1-CB 3.86Å; V13-H29 HydrophobicContact CG2-CB 4.24Å
14L98.3Very high94.9Very high0 Ų045.4 Ų45.40%024%0.237CC..Hα-helixtrans-55.6-46.7179.3-71.5168.5000111.7L10 T11 A16 H17 G18 G19 M21 L26 F49 V82 A84L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 3.5Å; L10-L14 PolarHBondContact O-N 3Å; T11-L14 PolarHBondContact O-N 3.48Å; L14-A16 VanDerWaalsContact C-N 3.32Å; L14-A16 PolarHBondContact O-N 3.33Å; L14-H17 CarbonylContact O-C 3.55Å; L14-H17 VanDerWaalsContact O-C 3.31Å; L14-H17 PolarHBondContact O-N 3.31Å; L14-G18 PolarHBondContact O-N 3.06Å; L14-G19 VanDerWaalsContact O-CA 3.25Å; L14-G19 WeakPolarHBondContact O-CA 3.46Å; L14-G19 PolarHBondContact O-N 2.68Å; L14-M21 HydrophobicContact CD2-CB 4.04Å; L14-M21 HydrophobicContact CD2-CG 4.05Å; L14-L26 HydrophobicContact CD2-CD1 4.3Å; L14-L26 HydrophobicContact CD2-CD2 4.35Å; L14-L26 HydrophobicContact CG-CD1 4.38Å; L14-F49 HydrophobicContact CD1-CD1 3.66Å; L14-F49 HydrophobicContact CD1-CE1 3.76Å; L14-V82 HydrophobicContact CD1-CG1 3.98Å; L14-V82 HydrophobicContact CD2-CB 4.36Å; L14-V82 HydrophobicContact CD2-CG1 4.33Å; L14-A84 HydrophobicContact CB-CB 3.96Å; L14-A84 HydrophobicContact CD1-CB 3.94Å
15C98.1Very high95.5Very high3 Ų344.1 Ų44.12%0.0223%0.225CC..Hα-helixtrans-69.1-28-179.6-620000113.3T11 K12 V13 H17 Q152T11-C15 WeakPolarHBondContact O-CB 3.44Å; T11-C15 PolarHBondContact O-N 3.17Å; T11-C15 PolarHBondContact O-SG 2.85Å; K12-C15 PolarHBondContact O-N 2.88Å; V13-C15 VanDerWaalsContact C-N 3.31Å; V13-C15 PolarHBondContact O-N 3.06Å; C15-H17 PolarHBondContact O-N 3.48Å; C15-Q152 HydrophobicContact CB-CB 3.79Å; C15-Q152 HydrophobicContact CB-CG 4.13Å
16A97.2Very high95.9Very high62 Ų6239.9 Ų39.951%0.51220%0.199SC..Hα-helixtrans-67.1-27.117100000112.2K12 V13 L14K12-A16 WeakPolarHBondContact O-CB 3.25Å; K12-A16 PolarHBondContact O-N 2.74Å; V13-A16 WeakPolarHBondContact O-CB 3.32Å; V13-A16 PolarHBondContact O-N 2.69Å; L14-A16 VanDerWaalsContact C-N 3.32Å; L14-A16 PolarHBondContact O-N 3.33Å
17H97.3Very high96.1Very high94 Ų9444.1 Ų44.144%0.43521%0.211SC..THydrogen-bonded Turntrans-105.432.6179.5-69.8-97.8000112.7V13 L14 C15 M21 H29V13-H17 PolarHBondContact O-CD2 3.36Å; V13-H17 VanDerWaalsContact O-CD2 3.29Å; V13-H17 PolarHBondContact O-N 3.08Å; V13-H17 VanDerWaalsContact O-N 3.15Å; L14-H17 CarbonylContact O-C 3.55Å; L14-H17 VanDerWaalsContact O-C 3.31Å; L14-H17 PolarHBondContact O-N 3.31Å; C15-H17 PolarHBondContact O-N 3.48Å; H17-M21 HydrophobicContact CB-CE 4.05Å; H17-M21 HydrophobicContact CB-CG 3.66Å; H17-M21 HydrophobicContact CB-SD 3.44Å; H17-M21 WeakPolarHBondContact CB-SD 3.47Å; H17-M21 VanDerWaalsContact CG-SD 3.55Å; H17-H29 AromaticContact CE1-CE1 3.82Å; H17-H29 AromaticContact CE1-NE2 3.83Å; H17-H29 AromaticContact NE2-CE1 3.39Å; H17-H29 PolarHBondContact NE2-CE1 3.47Å; H17-H29 AromaticContact NE2-NE2 3.65Å
18G96.6Very high96.1Very high24 Ų2447.4 Ų47.425%0.24725%0.245CC..THydrogen-bonded Turntrans79.717.3173.500000115L14 R20 N234L14-G18 PolarHBondContact O-N 3.06Å; G18-R20 VanDerWaalsContact C-N 3.35Å; G18-R20 PolarHBondContact O-N 3.15Å; G18-N234 PolarHBondContact O-ND2 3.46Å
19G97.9Very high96.1Very high0 Ų050 Ų500%025%0.254CS..THydrogen-bonded Turntrans87.8-3.3168.700000115.3L14 A84 Q159L14-G19 VanDerWaalsContact O-CA 3.25Å; L14-G19 WeakPolarHBondContact O-CA 3.46Å; L14-G19 PolarHBondContact O-N 2.68Å; G19-A84 PolarHBondContact O-N 3.41Å; G19-Q159 PolarHBondContact O-NE2 3.07Å
20R97.3Very high95.9Very high40 Ų4046.5 Ų46.515%0.15124%0.241CC..EExtended strand (participates in β ladder)trans-149151.5174.763.1160.9-179.1-126.510.8111.4G18 E66 V82 V83 N234G18-R20 VanDerWaalsContact C-N 3.35Å; G18-R20 PolarHBondContact O-N 3.15Å; R20-E66 IonicContact CZ-OE2 3.36Å; R20-E66 IonicContact NH2-OE1 2.99Å; R20-E66 IonicContact NH2-OE2 2.75Å; R20-E66 PolarHBondContact NH2-OE2 3.03Å; R20-V82 CarbonylContact C-O 3.52Å; R20-V82 WeakPolarHBondContact CA-O 3.31Å; R20-V83 HydrophobicContact CB-CB 4.4Å; R20-V83 HydrophobicContact CB-CG1 4.36Å; R20-V83 HydrophobicContact CB-CG2 3.97Å; R20-N234 WeakPolarHBondContact CD-OD1 3.1Å; R20-N234 VanDerWaalsContact CG-OD1 3.23Å; R20-N234 WeakPolarHBondContact CG-OD1 3.4Å; R20-N234 PolarHBondContact NE-OD1 3.21Å; R20-N234 PolarHBondContact NH1-OD1 3.3Å
21M95.6Very high95.5Very high25 Ų2556.3 Ų56.312%0.12329%0.287CS..EExtended strand (participates in β ladder)trans-152.2166.3172.3-62.2-178.777.300110.2V13 L14 H17 D25 V82V13-M21 HydrophobicContact CG1-SD 4.14Å; L14-M21 HydrophobicContact CD2-CB 4.04Å; L14-M21 HydrophobicContact CD2-CG 4.05Å; H17-M21 HydrophobicContact CB-CE 4.05Å; H17-M21 HydrophobicContact CB-CG 3.66Å; H17-M21 HydrophobicContact CB-SD 3.44Å; H17-M21 WeakPolarHBondContact CB-SD 3.47Å; H17-M21 VanDerWaalsContact CG-SD 3.55Å; M21-D25 HydrophobicContact CE-CB 3.88Å; M21-V82 PolarHBondContact N-O 2.98Å; M21-V82 PolarHBondContact O-N 3.28Å
22F95.4Very high95.2Very high70 Ų7058.8 Ų58.831%0.30730%0.3SS..EExtended strand (participates in β ladder)trans-73.7149.8163.9-66.3-70.2000110.9R24 D25 L26 V54 T56 A79 W80 R81F22-R24 PolarHBondContact O-N 3.37Å; F22-D25 PolarHBondContact O-N 3.06Å; F22-D25 VanDerWaalsContact O-N 3.09Å; F22-L26 PolarHBondContact O-N 2.92Å; F22-V54 HydrophobicContact CE1-CG2 3.71Å; F22-T56 HydrophobicContact CE1-CG2 4.24Å; F22-T56 HydrophobicContact CZ-CG2 4.15Å; F22-A79 HydrophobicContact CD1-CB 3.88Å; F22-A79 HydrophobicContact CE1-CB 3.99Å; F22-W80 CarbonylContact C-O 3.52Å; F22-W80 WeakPolarHBondContact CA-O 3.32Å; F22-R81 HydrophobicContact CD1-CB 4.35Å; F22-R81 HydrophobicContact CE1-CB 4.46Å
23L94.7Very high95Very high4 Ų457.5 Ų57.52%0.02130%0.302CS..Hα-helixtrans-58.1-37.6179.4-177.466.6000111.7D25 L26 R27 E34 L37 L41 W80 V82L23-D25 VanDerWaalsContact C-N 3.35Å; L23-L26 PolarHBondContact O-N 3.47Å; L23-R27 WeakPolarHBondContact O-CB 3.48Å; L23-R27 PolarHBondContact O-N 3.44Å; L23-E34 HydrophobicContact CD2-CG 4.02Å; L23-E34 HydrophobicContact CG-CG 4.41Å; L23-L37 HydrophobicContact CD1-CD2 3.73Å; L23-L37 HydrophobicContact CD1-CG 3.91Å; L23-L41 HydrophobicContact CD1-CD1 3.58Å; L23-W80 HydrophobicContact CB-CB 3.87Å; L23-W80 HydrophobicContact CD2-CB 4.11Å; L23-W80 PolarHBondContact N-O 3.49Å; L23-V82 HydrophobicContact CB-CG2 4.18Å; L23-V82 HydrophobicContact CD1-CG2 4.01Å
24R92.4Very high94.7Very high189 Ų18960 Ų6071%0.71331%0.313SS*.Hα-helixtrans-59.9-44.6175.7-176.7-178.368-167.9-0.7111.7F22 R27F22-R24 PolarHBondContact O-N 3.37Å; R24-R27 WeakPolarHBondContact O-CB 3.33Å; R24-R27 PolarHBondContact O-N 3.41Å
25D94.3Very high94.4Very high63 Ų6363.1 Ų63.134%0.33734%0.339SS..Hα-helixtrans-74.3-40.5-177.7-52.1-26.4000110.3M21 F22 L23 R27 G28 H29M21-D25 HydrophobicContact CE-CB 3.88Å; F22-D25 PolarHBondContact O-N 3.06Å; F22-D25 VanDerWaalsContact O-N 3.09Å; L23-D25 VanDerWaalsContact C-N 3.35Å; D25-R27 PolarHBondContact O-N 2.74Å; D25-G28 PolarHBondContact O-N 2.94Å; D25-H29 PolarHBondContact O-CD2 2.61Å; D25-H29 VanDerWaalsContact O-CD2 3.31Å
26L95.9Very high94.2Very high0 Ų070 Ų700%036%0.364CS..Hα-helixtrans-58.7-37.2174.7-177.460.4000112L10 V13 L14 F22 L23 G28 H29 L37 L41 V82L10-L26 HydrophobicContact CD2-CD1 4.01Å; L10-L26 HydrophobicContact CD2-CD2 4.25Å; L10-L26 HydrophobicContact CD2-CG 4.21Å; V13-L26 HydrophobicContact CB-CD1 4.28Å; V13-L26 HydrophobicContact CG1-CD1 3.77Å; L14-L26 HydrophobicContact CD2-CD1 4.3Å; L14-L26 HydrophobicContact CD2-CD2 4.35Å; L14-L26 HydrophobicContact CG-CD1 4.38Å; F22-L26 PolarHBondContact O-N 2.92Å; L23-L26 PolarHBondContact O-N 3.47Å; L26-G28 PolarHBondContact O-N 2.87Å; L26-H29 PolarHBondContact O-N 3.07Å; L26-H29 VanDerWaalsContact O-N 3.08Å; L26-L37 HydrophobicContact CD2-CD1 4.48Å; L26-L37 HydrophobicContact CD2-CD2 4.37Å; L26-L37 HydrophobicContact CG-CD2 4.2Å; L26-L41 HydrophobicContact CD2-CD1 4.33Å; L26-L41 HydrophobicContact CD2-CD2 4.5Å; L26-V82 HydrophobicContact CD2-CB 4.27Å; L26-V82 HydrophobicContact CD2-CG1 4.14Å; L26-V82 HydrophobicContact CD2-CG2 4.21Å
27R94.5Very high94.1Very high120 Ų12067 Ų6745%0.45334%0.34SS..Hα-helixtrans-59.8-31.5174.5-178.7-177.5164.9-157.8-10.2112.3L23 R24 D25 H29 V30 L37L23-R27 WeakPolarHBondContact O-CB 3.48Å; L23-R27 PolarHBondContact O-N 3.44Å; R24-R27 WeakPolarHBondContact O-CB 3.33Å; R24-R27 PolarHBondContact O-N 3.41Å; D25-R27 PolarHBondContact O-N 2.74Å; R27-H29 PolarHBondContact O-N 2.81Å; R27-H29 VanDerWaalsContact O-N 3.1Å; R27-V30 PolarHBondContact O-N 2.8Å; R27-V30 VanDerWaalsContact O-N 3.17Å; R27-L37 HydrophobicContact CB-CD2 4.05Å
28G93.6Very high94Very high71 Ų7165.6 Ų65.673%0.73233%0.331SS*.THydrogen-bonded Turntrans-62.1-15.1175.600000114.4D25 L26D25-G28 PolarHBondContact O-N 2.94Å; L26-G28 PolarHBondContact O-N 2.87Å
29H94.6Very high93.9Very high81 Ų8167.1 Ų67.138%0.37533%0.333SS..THydrogen-bonded Turntrans-102.1-1.6179.6-63-86000114F9 V13 H17 D25 L26 R27F9-H29 WeakPolarHBondContact CE1-O 3.41Å; V13-H29 HydrophobicContact CG1-CB 3.86Å; V13-H29 HydrophobicContact CG2-CB 4.24Å; H17-H29 AromaticContact CE1-CE1 3.82Å; H17-H29 AromaticContact CE1-NE2 3.83Å; H17-H29 AromaticContact NE2-CE1 3.39Å; H17-H29 PolarHBondContact NE2-CE1 3.47Å; H17-H29 AromaticContact NE2-NE2 3.65Å; D25-H29 PolarHBondContact O-CD2 2.61Å; D25-H29 VanDerWaalsContact O-CD2 3.31Å; L26-H29 PolarHBondContact O-N 3.07Å; L26-H29 VanDerWaalsContact O-N 3.08Å; R27-H29 PolarHBondContact O-N 2.81Å; R27-H29 VanDerWaalsContact O-N 3.1Å
30V91.2Very high93.8Very high24 Ų2467.6 Ų67.615%0.14534%0.336CS..SBendtrans-135.7140.1-178-70.20000111.5F9 L10 R27 L32 L37F9-V30 HydrophobicContact CD1-CG1 3.96Å; F9-V30 HydrophobicContact CE1-CG1 3.55Å; L10-V30 HydrophobicContact CD2-CG1 3.81Å; R27-V30 PolarHBondContact O-N 2.8Å; R27-V30 VanDerWaalsContact O-N 3.17Å; V30-L32 HydrophobicContact CB-CB 4.45Å; V30-L32 HydrophobicContact CB-CD1 4.43Å; V30-L32 HydrophobicContact CB-CG 4.29Å; V30-L32 HydrophobicContact CG2-CB 4.12Å; V30-L32 HydrophobicContact CG2-CD1 4.45Å; V30-L32 HydrophobicContact CG2-CG 4.42Å; V30-L32 PolarHBondContact O-N 2.99Å; V30-L37 HydrophobicContact CG2-CD1 4.25Å; V30-L37 HydrophobicContact CG2-CD2 4.02Å
31E89.1Confident93.8Very high205 Ų20565.7 Ų65.796%0.95833%0.329SS*.SBendtrans-79.649.7173.2-62.4-177.7176.700111.5
32L90.1Very high93.8Very high54 Ų5470.2 Ų70.228%0.28335%0.35SS..SBendtrans-119.1142.4178.4-64177.6000110V30 L37V30-L32 HydrophobicContact CB-CB 4.45Å; V30-L32 HydrophobicContact CB-CD1 4.43Å; V30-L32 HydrophobicContact CB-CG 4.29Å; V30-L32 HydrophobicContact CG2-CB 4.12Å; V30-L32 HydrophobicContact CG2-CD1 4.45Å; V30-L32 HydrophobicContact CG2-CG 4.42Å; V30-L32 PolarHBondContact O-N 2.99Å; L32-L37 HydrophobicContact CB-CB 4.37Å
33S92.8Very high93.8Very high64 Ų6472.3 Ų72.345%0.44836%0.356SS..  trans-63.2152.5164.971.50000109.9A35 R36 L37S33-A35 VanDerWaalsContact C-N 3.26Å; S33-A35 PolarHBondContact O-N 2.99Å; S33-R36 PolarHBondContact O-N 2.9Å; S33-R36 VanDerWaalsContact OG-CG 3.26Å; S33-R36 WeakPolarHBondContact OG-CG 3.43Å; S33-R36 PolarHBondContact OG-N 2.95Å; S33-L37 PolarHBondContact O-N 3.49Å
34E92.2Very high93.8Very high67 Ų6773.5 Ų73.531%0.31337%0.366SS..Hα-helixtrans-57.9-40.5-178.4-169.9-178.9126.800112.4L23 R36 L37 R38L23-E34 HydrophobicContact CD2-CG 4.02Å; L23-E34 HydrophobicContact CG-CG 4.41Å; E34-R36 VanDerWaalsContact C-N 3.33Å; E34-R36 PolarHBondContact O-N 2.95Å; E34-L37 PolarHBondContact O-N 2.82Å; E34-R38 WeakPolarHBondContact O-CB 3.25Å; E34-R38 PolarHBondContact O-N 3.31Å; E34-R38 IonicContact OE1-CZ 3.16Å; E34-R38 IonicContact OE1-NH1 2.79Å; E34-R38 IonicContact OE1-NH2 2.74Å; E34-R38 PolarHBondContact OE1-NH2 2.75Å
35A92.7Very high94Very high66 Ų6665.2 Ų65.255%0.54534%0.34SS..Hα-helixtrans-60.1-42.3176.200000112S33 D39S33-A35 VanDerWaalsContact C-N 3.26Å; S33-A35 PolarHBondContact O-N 2.99Å; A35-D39 WeakPolarHBondContact O-CB 3.31Å; A35-D39 PolarHBondContact O-N 3.45Å
36R93.6Very high94.1Very high146 Ų14664.2 Ų64.255%0.55134%0.336SS*.Hα-helixtrans-69.8-40177.8-71.1-65.2-59.9-132.7-4.9112.1S33 E34 D39 V40S33-R36 PolarHBondContact O-N 2.9Å; S33-R36 VanDerWaalsContact OG-CG 3.26Å; S33-R36 WeakPolarHBondContact OG-CG 3.43Å; S33-R36 PolarHBondContact OG-N 2.95Å; E34-R36 VanDerWaalsContact C-N 3.33Å; E34-R36 PolarHBondContact O-N 2.95Å; R36-D39 PolarHBondContact O-N 3.36Å; R36-V40 VanDerWaalsContact O-CG2 3.31Å; R36-V40 WeakPolarHBondContact O-CG2 3.29Å; R36-V40 PolarHBondContact O-N 2.82Å
37L95.4Very high94.1Very high0 Ų068.8 Ų68.80%036%0.358CS..Hα-helixtrans-62.8-46.1175177.757.6000111L10 L23 L26 R27 V30 L32 S33 E34 D39 V40 L41L10-L37 HydrophobicContact CD1-CD1 3.94Å; L10-L37 HydrophobicContact CD2-CD1 3.86Å; L23-L37 HydrophobicContact CD1-CD2 3.73Å; L23-L37 HydrophobicContact CD1-CG 3.91Å; L26-L37 HydrophobicContact CD2-CD1 4.48Å; L26-L37 HydrophobicContact CD2-CD2 4.37Å; L26-L37 HydrophobicContact CG-CD2 4.2Å; R27-L37 HydrophobicContact CB-CD2 4.05Å; V30-L37 HydrophobicContact CG2-CD1 4.25Å; V30-L37 HydrophobicContact CG2-CD2 4.02Å; L32-L37 HydrophobicContact CB-CB 4.37Å; S33-L37 PolarHBondContact O-N 3.49Å; E34-L37 PolarHBondContact O-N 2.82Å; L37-D39 PolarHBondContact O-N 3.25Å; L37-V40 PolarHBondContact O-N 3.46Å; L37-L41 HydrophobicContact CD1-CD1 4.07Å; L37-L41 HydrophobicContact CD1-CG 4.18Å; L37-L41 HydrophobicContact CG-CD1 3.97Å; L37-L41 VanDerWaalsContact O-CG 3.25Å; L37-L41 WeakPolarHBondContact O-CG 3.4Å; L37-L41 PolarHBondContact O-N 2.87Å
38R94.8Very high94.2Very high65 Ų6565.5 Ų65.525%0.24535%0.345CS..Hα-helixtrans-59.2-45.8176.8-172.9-179.9-70.3119.73.8111.6E34 V40 L41 Q42 L51E34-R38 WeakPolarHBondContact O-CB 3.25Å; E34-R38 PolarHBondContact O-N 3.31Å; E34-R38 IonicContact OE1-CZ 3.16Å; E34-R38 IonicContact OE1-NH1 2.79Å; E34-R38 IonicContact OE1-NH2 2.74Å; E34-R38 PolarHBondContact OE1-NH2 2.75Å; R38-V40 PolarHBondContact O-N 2.99Å; R38-L41 PolarHBondContact O-N 3.24Å; R38-Q42 HydrophobicContact CG-CG 4.42Å; R38-Q42 WeakPolarHBondContact O-CB 3.41Å; R38-Q42 VanDerWaalsContact O-CG 3.29Å; R38-Q42 WeakPolarHBondContact O-CG 3.46Å; R38-Q42 PolarHBondContact O-N 2.79Å; R38-L51 HydrophobicContact CG-CD2 4.35Å
39D94.5Very high94.4Very high56 Ų5662.2 Ų62.230%0.29931%0.311SS..Hα-helixtrans-59.1-45.6175.5168.672.1000112.2A35 R36 L37 L41 Q42 R43A35-D39 WeakPolarHBondContact O-CB 3.31Å; A35-D39 PolarHBondContact O-N 3.45Å; R36-D39 PolarHBondContact O-N 3.36Å; L37-D39 PolarHBondContact O-N 3.25Å; D39-L41 PolarHBondContact O-N 3.38Å; D39-Q42 PolarHBondContact O-N 3.31Å; D39-R43 WeakPolarHBondContact O-CB 3.37Å; D39-R43 WeakPolarHBondContact O-CG 3.35Å; D39-R43 PolarHBondContact O-N 3.46Å; D39-R43 IonicContact OD1-NE 3.29Å; D39-R43 PolarHBondContact OD1-NE 3.45Å; D39-R43 IonicContact OD2-CZ 2.65Å; D39-R43 IonicContact OD2-NE 2.65Å; D39-R43 PolarHBondContact OD2-NE 2.85Å; D39-R43 IonicContact OD2-NH2 3.96Å; D39-R43 PolarHBondContact OD2-NH2 3.43Å
40V95.6Very high94.6Very high10 Ų1058.6 Ų58.66%0.06129%0.294CS..Hα-helixtrans-59.2-47176.9167.20000111.2A2 V6 L10 R36 L37 R38 R43 A44A2-V40 HydrophobicContact CB-CG1 4.3Å; V6-V40 HydrophobicContact CG1-CG1 3.94Å; L10-V40 HydrophobicContact CD1-CG1 3.99Å; R36-V40 VanDerWaalsContact O-CG2 3.31Å; R36-V40 WeakPolarHBondContact O-CG2 3.29Å; R36-V40 PolarHBondContact O-N 2.82Å; L37-V40 PolarHBondContact O-N 3.46Å; R38-V40 PolarHBondContact O-N 2.99Å; V40-R43 PolarHBondContact O-N 2.71Å; V40-A44 WeakPolarHBondContact O-CB 3.45Å; V40-A44 PolarHBondContact O-N 2.94Å
41L96.6Very high94.8Very high0 Ų059.1 Ų59.10%030%0.296CS..Hα-helixtrans-64.1-44.7180-66.3165.6000111.6L10 L23 L26 L37 R38 D39 A44 G45 F49 L51 V82L10-L41 HydrophobicContact CD1-CD2 3.95Å; L23-L41 HydrophobicContact CD1-CD1 3.58Å; L26-L41 HydrophobicContact CD2-CD1 4.33Å; L26-L41 HydrophobicContact CD2-CD2 4.5Å; L37-L41 HydrophobicContact CD1-CD1 4.07Å; L37-L41 HydrophobicContact CD1-CG 4.18Å; L37-L41 HydrophobicContact CG-CD1 3.97Å; L37-L41 VanDerWaalsContact O-CG 3.25Å; L37-L41 WeakPolarHBondContact O-CG 3.4Å; L37-L41 PolarHBondContact O-N 2.87Å; R38-L41 PolarHBondContact O-N 3.24Å; D39-L41 PolarHBondContact O-N 3.38Å; L41-A44 PolarHBondContact O-N 3.29Å; L41-G45 PolarHBondContact O-N 3.11Å; L41-G45 VanDerWaalsContact O-N 3.09Å; L41-F49 HydrophobicContact CB-CB 4.49Å; L41-F49 HydrophobicContact CD2-CB 3.78Å; L41-F49 HydrophobicContact CD2-CD1 3.94Å; L41-F49 HydrophobicContact CD2-CD2 3.64Å; L41-F49 HydrophobicContact CD2-CE1 4.45Å; L41-F49 HydrophobicContact CD2-CE2 4.19Å; L41-F49 HydrophobicContact CD2-CG 3.5Å; L41-L51 HydrophobicContact CB-CD1 3.65Å; L41-L51 HydrophobicContact CB-CD2 4.16Å; L41-L51 HydrophobicContact CD1-CD1 4.11Å; L41-L51 HydrophobicContact CD1-CD2 4.36Å; L41-L51 HydrophobicContact CG-CD1 4.31Å; L41-V82 HydrophobicContact CD1-CG1 4.23Å; L41-V82 HydrophobicContact CD1-CG2 4Å; L41-V82 HydrophobicContact CD2-CG1 3.97Å
42Q95.5Very high95Very high120 Ų12051.7 Ų51.756%0.56126%0.262SS*.Hα-helixtrans-63.8-42.5177.8-74.3173.9-24.100112R38 D39 A44 G45 L51R38-Q42 HydrophobicContact CG-CG 4.42Å; R38-Q42 WeakPolarHBondContact O-CB 3.41Å; R38-Q42 VanDerWaalsContact O-CG 3.29Å; R38-Q42 WeakPolarHBondContact O-CG 3.46Å; R38-Q42 PolarHBondContact O-N 2.79Å; D39-Q42 PolarHBondContact O-N 3.31Å; Q42-A44 VanDerWaalsContact C-N 3.31Å; Q42-A44 PolarHBondContact O-N 2.95Å; Q42-G45 WeakPolarHBondContact O-CA 3.41Å; Q42-G45 PolarHBondContact O-N 3.28Å; Q42-G45 VanDerWaalsContact O-N 3.12Å; Q42-L51 HydrophobicContact CG-CD2 4.35Å
43R95.6Very high95.1Very high114 Ų11453.7 Ų53.743%0.4327%0.269SS..Hα-helixtrans-67.5-29176.7-76-168.7-68.7135.1-0.3113.5M1 A2 D39 V40 G45M1-R43 PolarHBondContact O-NH1 2.88Å; A2-R43 HydrophobicContact CB-CB 4.16Å; D39-R43 WeakPolarHBondContact O-CB 3.37Å; D39-R43 WeakPolarHBondContact O-CG 3.35Å; D39-R43 PolarHBondContact O-N 3.46Å; D39-R43 IonicContact OD1-NE 3.29Å; D39-R43 PolarHBondContact OD1-NE 3.45Å; D39-R43 IonicContact OD2-CZ 2.65Å; D39-R43 IonicContact OD2-NE 2.65Å; D39-R43 PolarHBondContact OD2-NE 2.85Å; D39-R43 IonicContact OD2-NH2 3.96Å; D39-R43 PolarHBondContact OD2-NH2 3.43Å; V40-R43 PolarHBondContact O-N 2.71Å; R43-G45 VanDerWaalsContact C-N 3.31Å
44A95.8Very high94.9Very high28 Ų2851 Ų5123%0.23125%0.25CS..Hα-helixtrans-74.7-25.5172.600000112.3A2 V40 L41 Q42 F49A2-A44 HydrophobicContact CB-CB 4.11Å; V40-A44 WeakPolarHBondContact O-CB 3.45Å; V40-A44 PolarHBondContact O-N 2.94Å; L41-A44 PolarHBondContact O-N 3.29Å; Q42-A44 VanDerWaalsContact C-N 3.31Å; Q42-A44 PolarHBondContact O-N 2.95Å; A44-F49 HydrophobicContact CB-CD2 3.6Å; A44-F49 HydrophobicContact CB-CE2 3.8Å
45G96Very high94.4Very high16 Ų1651.2 Ų51.217%0.16525%0.251CS..  trans80.2168.7170.900000114.6L41 Q42 R43 E47 R48 F49L41-G45 PolarHBondContact O-N 3.11Å; L41-G45 VanDerWaalsContact O-N 3.09Å; Q42-G45 WeakPolarHBondContact O-CA 3.41Å; Q42-G45 PolarHBondContact O-N 3.28Å; Q42-G45 VanDerWaalsContact O-N 3.12Å; R43-G45 VanDerWaalsContact C-N 3.31Å; G45-E47 PolarHBondContact O-N 3.11Å; G45-R48 PolarHBondContact O-N 2.97Å; G45-F49 PolarHBondContact O-N 3.25Å
46P96.4Very high93.2Very high41 Ų4150.3 Ų50.327%0.26624%0.239SC..THydrogen-bonded Turntrans-69.5-17.9-171.429.4-37.6000114.2R48 F49 Y241P46-R48 PolarHBondContact O-N 3.47Å; P46-F49 WeakPolarHBondContact CA-O 3.4Å; P46-Y241 HydrophobicContact CB-CE1 3.62Å; P46-Y241 WeakPolarHBondContact CB-OH 3.43Å; P46-Y241 HydrophobicContact CG-CE1 4.26Å; P46-Y241 WeakPolarHBondContact CG-OH 3.39Å
47E95.3Very high91.7Very high97 Ų9752.1 Ų52.145%0.45325%0.253SS..THydrogen-bonded Turntrans-73.3-10.4174.6-56.2-53.6140.300112.3G45 V85 K245G45-E47 PolarHBondContact O-N 3.11Å; E47-V85 CarbonylContact O-C 3.6Å; E47-V85 WeakPolarHBondContact O-CG1 3.35Å; E47-K245 IonicContact OE1-NZ 2.76Å; E47-K245 PolarHBondContact OE1-NZ 3.43Å
48R96.7Very high89.3Confident50 Ų5061.9 Ų61.919%0.18930%0.299CS..THydrogen-bonded Turntrans-122.7-41.5175.9-163.9164.7-175.4171.3-1.3113.3G45 P46 V85 G144G45-R48 PolarHBondContact O-N 2.97Å; P46-R48 PolarHBondContact O-N 3.47Å; R48-V85 WeakPolarHBondContact CA-O 3.36Å; R48-V85 PolarHBondContact O-N 3.37Å; R48-G144 PolarHBondContact NH2-O 3.1Å
49F98.1Very high87.1Confident3 Ų361.8 Ų61.81%0.01332%0.319CS..EExtended strand (participates in β ladder)trans-135.6111.8175-54.8-67.8000110.6C7 L10 L14 L41 A44 G45 P46 L51 V82 V83C7-F49 HydrophobicContact CB-CE2 4Å; C7-F49 HydrophobicContact CB-CZ 4.22Å; C7-F49 WeakPolarHBondContact O-CZ 3.45Å; L10-F49 HydrophobicContact CB-CE1 3.94Å; L10-F49 HydrophobicContact CB-CZ 3.71Å; L10-F49 HydrophobicContact CD1-CZ 4.43Å; L14-F49 HydrophobicContact CD1-CD1 3.66Å; L14-F49 HydrophobicContact CD1-CE1 3.76Å; L41-F49 HydrophobicContact CB-CB 4.49Å; L41-F49 HydrophobicContact CD2-CB 3.78Å; L41-F49 HydrophobicContact CD2-CD1 3.94Å; L41-F49 HydrophobicContact CD2-CD2 3.64Å; L41-F49 HydrophobicContact CD2-CE1 4.45Å; L41-F49 HydrophobicContact CD2-CE2 4.19Å; L41-F49 HydrophobicContact CD2-CG 3.5Å; A44-F49 HydrophobicContact CB-CD2 3.6Å; A44-F49 HydrophobicContact CB-CE2 3.8Å; G45-F49 PolarHBondContact O-N 3.25Å; P46-F49 WeakPolarHBondContact CA-O 3.4Å; F49-L51 HydrophobicContact CB-CD1 4.14Å; F49-V82 HydrophobicContact CB-CG1 4.31Å; F49-V83 WeakPolarHBondContact CA-O 3.4Å
50L97.9Very high84.7Confident5 Ų568 Ų683%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-85.1117173.1173.160.2000109.2V82 V83 V85 I237 I238 Y241L50-V82 WeakPolarHBondContact O-CA 3.49Å; L50-V83 HydrophobicContact CB-CB 4.28Å; L50-V83 PolarHBondContact N-O 3.22Å; L50-V83 PolarHBondContact O-N 2.85Å; L50-V85 HydrophobicContact CB-CG2 3.83Å; L50-I237 HydrophobicContact CD2-CG2 3.96Å; L50-I238 HydrophobicContact CD2-CG1 4.4Å; L50-Y241 HydrophobicContact CD1-CD1 3.88Å; L50-Y241 HydrophobicContact CD1-CD2 3.38Å; L50-Y241 HydrophobicContact CD1-CE1 4.2Å; L50-Y241 HydrophobicContact CD1-CE2 3.71Å; L50-Y241 HydrophobicContact CD1-CG 3.47Å; L50-Y241 VanDerWaalsContact CD1-CG 3.47Å; L50-Y241 HydrophobicContact CD2-CD1 4.38Å; L50-Y241 HydrophobicContact CD2-CG 3.97Å; L50-Y241 HydrophobicContact CG-CG 4.38Å
51L96.1Very high82.9Confident34 Ų3470.3 Ų70.318%0.17838%0.377CS..EExtended strand (participates in β ladder)trans-98.3124.6173.1-87.966.9000108.7R38 L41 Q42 F49 W80 R81 V82R38-L51 HydrophobicContact CG-CD2 4.35Å; L41-L51 HydrophobicContact CB-CD1 3.65Å; L41-L51 HydrophobicContact CB-CD2 4.16Å; L41-L51 HydrophobicContact CD1-CD1 4.11Å; L41-L51 HydrophobicContact CD1-CD2 4.36Å; L41-L51 HydrophobicContact CG-CD1 4.31Å; Q42-L51 HydrophobicContact CG-CD2 4.35Å; F49-L51 HydrophobicContact CB-CD1 4.14Å; L51-W80 HydrophobicContact CB-CE3 4.1Å; L51-W80 HydrophobicContact CB-CZ3 4.2Å; L51-R81 WeakPolarHBondContact CA-O 3.39Å; L51-V82 HydrophobicContact CD1-CG1 4.13Å; L51-V82 HydrophobicContact CD1-CG2 4.4Å; L51-V82 HydrophobicContact CG-CG2 4.36Å
52Q93.9Very high81.7Confident50 Ų5074.3 Ų74.323%0.23440%0.398CS..EExtended strand (participates in β ladder)trans-133.7128.2179.3-171.5-175.636.100109.4V54 R81Q52-V54 HydrophobicContact CG-CG1 4.17Å; Q52-R81 PolarHBondContact N-O 3.2Å; Q52-R81 PolarHBondContact O-N 2.93Å; Q52-R81 VanDerWaalsContact OE1-NH2 3.11Å
53E91.4Very high80.7Confident95 Ų9569.5 Ų69.544%0.44438%0.379SS..EExtended strand (participates in β ladder)trans-76.7133.2168.7-171.6173.2-169.100109.6S78 W80E53-S78 WeakPolarHBondContact OE1-CB 3.48Å; E53-S78 PolarHBondContact OE1-OG 2.96Å; E53-S78 VanDerWaalsContact OE1-OG 3.08Å; E53-W80 HydrophobicContact CB-CD2 4.33Å; E53-W80 HydrophobicContact CB-CE3 4.28Å; E53-W80 HydrophobicContact CB-CH2 4.03Å; E53-W80 HydrophobicContact CB-CZ2 4.06Å; E53-W80 HydrophobicContact CB-CZ3 4.14Å; E53-W80 HydrophobicContact CG-CZ2 4.49Å
54V88.3Confident79.6Confident8 Ų867.2 Ų67.25%0.04837%0.373CS..EExtended strand (participates in β ladder)trans-136.6142.4-178.1-61.30000109.8F22 Q52 A79 R81F22-V54 HydrophobicContact CE1-CG2 3.71Å; Q52-V54 HydrophobicContact CG-CG1 4.17Å; V54-A79 WeakPolarHBondContact CG2-O 3.47Å; V54-A79 PolarHBondContact N-O 3.5Å; V54-A79 PolarHBondContact O-N 3.27Å; V54-R81 HydrophobicContact CG1-CB 4.44Å; V54-R81 VanDerWaalsContact CG1-NH2 3.27Å; V54-R81 HydrophobicContact CG2-CB 4.24Å
55E83.1Confident78.8Confident72 Ų7268.6 Ų68.634%0.33639%0.385SS..EExtended strand (participates in β ladder)trans-77.4134.2169.4-61-168.3159.100108.9G73 G74E55-G73 WeakPolarHBondContact OE1-CA 3.41Å; E55-G74 PolarHBondContact OE1-N 2.96Å; E55-G74 PolarHBondContact OE2-N 3.39Å
56T67.6Low78Confident46 Ų4671.1 Ų71.128%0.28239%0.392SS..EExtended strand (participates in β ladder)trans-93.5114.4175.846.80000109F22 T77 A79F22-T56 HydrophobicContact CE1-CG2 4.24Å; F22-T56 HydrophobicContact CZ-CG2 4.15Å; T56-T77 PolarHBondContact N-O 2.9Å; T56-T77 PolarHBondContact OG1-O 2.94Å; T56-T77 PolarHBondContact OG1-OG1 3.38Å; T56-A79 HydrophobicContact CG2-CB 3.78Å
57Q61.1Low76.9Confident184 Ų18470 Ų7086%0.8639%0.387SS*.  trans-96.3126163.1-79.5-172-13.900108.6G59Q57-G59 PolarHBondContact O-N 3.35Å
58E44.9Very low75.9Confident205 Ų20569.1 Ų69.196%0.95840%0.396SS*.  trans-74.7100.3173.4-66.2-170.2152.500109.2
59G49Very low74.6Confident64 Ų6468.3 Ų68.366%0.6640%0.4SS*.SBendtrans169.1152.7178.800000112.9Q57 G61Q57-G59 PolarHBondContact O-N 3.35Å; G59-G61 PolarHBondContact O-N 3.2Å
60L43.3Very low72.6Confident185 Ų18570 Ų7097%0.96942%0.418SS*.  trans-37.3113.9-172.9-71.9155.3000113.4D62L60-D62 PolarHBondContact O-N 3.45Å
61G57.6Low70Confident59 Ų5974.8 Ų74.861%0.60846%0.458SS*.  trans-6497-176.700000112.6G59G59-G61 PolarHBondContact O-N 3.2Å
62D72.5Confident67.4Low84 Ų8478.8 Ų78.845%0.44948%0.484SS..  trans-71.7126.3164.4-178.1-4.5000108.8L60 E64 A65 E66L60-D62 PolarHBondContact O-N 3.45Å; D62-E64 PolarHBondContact O-N 2.75Å; D62-E64 WeakPolarHBondContact OD1-CB 3.02Å; D62-E64 PolarHBondContact OD1-N 2.93Å; D62-A65 HydrophobicContact CB-CB 3.93Å; D62-A65 PolarHBondContact O-N 3.28Å; D62-A65 VanDerWaalsContact O-N 3.08Å; D62-E66 WeakPolarHBondContact O-CG 3.43Å; D62-E66 PolarHBondContact O-N 3.47Å
63A73.7Confident65.1Low20 Ų2080.1 Ų80.117%0.16551%0.511CS..Hα-helixtrans-57.3-31.1177.700000112.3A67 I214 L219 I229 V233A63-A67 VanDerWaalsContact O-CB 3.31Å; A63-A67 WeakPolarHBondContact O-CB 3.28Å; A63-A67 PolarHBondContact O-N 2.86Å; A63-I214 HydrophobicContact CB-CG2 3.99Å; A63-L219 HydrophobicContact CB-CD2 4.46Å; A63-I229 HydrophobicContact CB-CG2 4.06Å; A63-V233 HydrophobicContact CB-CG2 3.91Å
64E73.8Confident62.8Low65 Ų6577.9 Ų77.930%0.30451%0.514SS..Hα-helixtrans-69.9-46.8174.9-172.6166.4169.500111.1D62 E66 A67 A68 Q212 I214 H215D62-E64 PolarHBondContact O-N 2.75Å; D62-E64 WeakPolarHBondContact OD1-CB 3.02Å; D62-E64 PolarHBondContact OD1-N 2.93Å; E64-E66 PolarHBondContact O-N 3.43Å; E64-A67 WeakPolarHBondContact O-CB 3.23Å; E64-A67 PolarHBondContact O-N 3.47Å; E64-A68 WeakPolarHBondContact O-CB 3.2Å; E64-A68 PolarHBondContact O-N 3.33Å; E64-Q212 PolarHBondContact OE1-NE2 3.45Å; E64-I214 HydrophobicContact CB-CG2 4.28Å; E64-H215 WeakPolarHBondContact OE2-CA 3.39Å
65A77.9Confident61Low58 Ų5882.1 Ų82.148%0.47956%0.559SS.*Hα-helixtrans-63.3-41.9176.200000112.2D62 A67 A68 A69D62-A65 HydrophobicContact CB-CB 3.93Å; D62-A65 PolarHBondContact O-N 3.28Å; D62-A65 VanDerWaalsContact O-N 3.08Å; A65-A67 VanDerWaalsContact C-N 3.28Å; A65-A67 PolarHBondContact O-N 3.08Å; A65-A68 PolarHBondContact O-N 3.14Å; A65-A69 WeakPolarHBondContact O-CB 3.43Å; A65-A69 PolarHBondContact O-N 2.93Å
66E79.2Confident60Low68 Ų6880.6 Ų80.632%0.31856%0.562SS.*Hα-helixtrans-63.4-34.7177.1-73.9-173.1152.300113.1R20 D62 E64 R81 V233R20-E66 IonicContact CZ-OE2 3.36Å; R20-E66 IonicContact NH2-OE1 2.99Å; R20-E66 IonicContact NH2-OE2 2.75Å; R20-E66 PolarHBondContact NH2-OE2 3.03Å; D62-E66 WeakPolarHBondContact O-CG 3.43Å; D62-E66 PolarHBondContact O-N 3.47Å; E64-E66 PolarHBondContact O-N 3.43Å; E66-R81 PolarHBondContact O-NH1 3.02Å; E66-R81 PolarHBondContact O-NH2 3.01Å; E66-V233 HydrophobicContact CB-CG1 4.19Å
67A74.1Confident60.2Low19 Ų1983.3 Ų83.316%0.15758%0.579CS.*Hα-helixtrans-72.5-36.8176.100000111.8A63 E64 A65 I214 V233 Q236A63-A67 VanDerWaalsContact O-CB 3.31Å; A63-A67 WeakPolarHBondContact O-CB 3.28Å; A63-A67 PolarHBondContact O-N 2.86Å; E64-A67 WeakPolarHBondContact O-CB 3.23Å; E64-A67 PolarHBondContact O-N 3.47Å; A65-A67 VanDerWaalsContact C-N 3.28Å; A65-A67 PolarHBondContact O-N 3.08Å; A67-I214 HydrophobicContact CB-CB 4.47Å; A67-I214 HydrophobicContact CB-CG1 4.47Å; A67-V233 HydrophobicContact CB-CG1 3.94Å; A67-Q236 HydrophobicContact CB-CB 4.37Å; A67-Q236 HydrophobicContact CB-CG 3.96Å
68A73.3Confident61.1Low77 Ų7778 Ų7864%0.63656%0.562SS**Hα-helixtrans-80.5-21179.500000113.5E64 A65 G70E64-A68 WeakPolarHBondContact O-CB 3.2Å; E64-A68 PolarHBondContact O-N 3.33Å; A65-A68 PolarHBondContact O-N 3.14Å; A68-G70 PolarHBondContact O-N 2.76Å
69A69.5Low63.2Low34 Ų3469.3 Ų69.328%0.28153%0.525SS..  trans-60.499.4-179.100000111.7A65 R81A65-A69 WeakPolarHBondContact O-CB 3.43Å; A65-A69 PolarHBondContact O-N 2.93Å; A69-R81 PolarHBondContact O-NH2 3.18Å; A69-R81 VanDerWaalsContact O-NH2 3.12Å
70G55.8Low65.3Low37 Ų3770.6 Ų70.638%0.38151%0.51SS..SBendtrans-175.7110.4176.600000111.5A68A68-G70 PolarHBondContact O-N 2.76Å
71A44.4Very low67.8Low106 Ų10662.6 Ų62.688%0.87647%0.467SS*.SBendtrans5567173.400000116.5
72V40.9Very low69.7Low119 Ų11959.8 Ų59.872%0.72144%0.438SS*.  trans-127.4120.3153.6-176.50000105.6
73G45.2Very low70.9Confident78 Ų7855.8 Ų55.880%0.80442%0.417SS*.  trans-77121.2-17600000111.7E55E55-G73 WeakPolarHBondContact OE1-CA 3.41Å
74G44.7Very low72.1Confident48 Ų4854.8 Ų54.850%0.49541%0.409SS..  trans-166.686.5174.100000113.2E55 G76E55-G74 PolarHBondContact OE1-N 2.96Å; E55-G74 PolarHBondContact OE2-N 3.39Å; G74-G76 PolarHBondContact O-N 3.45Å
75G50.1Low73.3Confident97 Ų9752 Ų52100%140%0.396SS*.SBendtrans55.4-4.2150.500000120.8
76G61Low74.2Confident39 Ų3949.6 Ų49.640%0.40238%0.376SS..SBendtrans-87.7171.4-178.500000113.3G74 S78G74-G76 PolarHBondContact O-N 3.45Å; G76-S78 PolarHBondContact O-N 3.08Å
77T71.6Confident75Confident104 Ų10450 Ų5064%0.63839%0.387SS*.EExtended strand (participates in β ladder)trans-73.6116.2172.945.50000110.3T56T56-T77 PolarHBondContact N-O 2.9Å; T56-T77 PolarHBondContact OG1-O 2.94Å; T56-T77 PolarHBondContact OG1-OG1 3.38Å
78S81.1Confident76.1Confident71 Ų7149.3 Ų49.350%0.49738%0.38SS..EExtended strand (participates in β ladder)trans-67.6134.6172.2-67.90000111.4E53 G76E53-S78 WeakPolarHBondContact OE1-CB 3.48Å; E53-S78 PolarHBondContact OE1-OG 2.96Å; E53-S78 VanDerWaalsContact OE1-OG 3.08Å; G76-S78 PolarHBondContact O-N 3.08Å
79A89.3Confident77.2Confident23 Ų2347.8 Ų47.819%0.1936%0.358CS..EExtended strand (participates in β ladder)trans-130.1150.9172.900000111.1F22 V54 T56F22-A79 HydrophobicContact CD1-CB 3.88Å; F22-A79 HydrophobicContact CE1-CB 3.99Å; V54-A79 WeakPolarHBondContact CG2-O 3.47Å; V54-A79 PolarHBondContact N-O 3.5Å; V54-A79 PolarHBondContact O-N 3.27Å; T56-A79 HydrophobicContact CG2-CB 3.78Å
80W92.7Very high78.5Confident92 Ų9246.4 Ų46.435%0.34835%0.346SS..EExtended strand (participates in β ladder)trans-93.4120.7174.6-74.186.8000110.3F22 L23 L51 E53F22-W80 CarbonylContact C-O 3.52Å; F22-W80 WeakPolarHBondContact CA-O 3.32Å; L23-W80 HydrophobicContact CB-CB 3.87Å; L23-W80 HydrophobicContact CD2-CB 4.11Å; L23-W80 PolarHBondContact N-O 3.49Å; L51-W80 HydrophobicContact CB-CE3 4.1Å; L51-W80 HydrophobicContact CB-CZ3 4.2Å; E53-W80 HydrophobicContact CB-CD2 4.33Å; E53-W80 HydrophobicContact CB-CE3 4.28Å; E53-W80 HydrophobicContact CB-CH2 4.03Å; E53-W80 HydrophobicContact CB-CZ2 4.06Å; E53-W80 HydrophobicContact CB-CZ3 4.14Å; E53-W80 HydrophobicContact CG-CZ2 4.49Å
81R95.2Very high80.5Confident16 Ų1644.9 Ų44.96%0.0633%0.329CS..EExtended strand (participates in β ladder)trans-93.9138.6169.2171.3165.151.1-173.43.3109.9F22 L51 Q52 V54 E66 A69 V83F22-R81 HydrophobicContact CD1-CB 4.35Å; F22-R81 HydrophobicContact CE1-CB 4.46Å; L51-R81 WeakPolarHBondContact CA-O 3.39Å; Q52-R81 PolarHBondContact N-O 3.2Å; Q52-R81 PolarHBondContact O-N 2.93Å; Q52-R81 VanDerWaalsContact OE1-NH2 3.11Å; V54-R81 HydrophobicContact CG1-CB 4.44Å; V54-R81 VanDerWaalsContact CG1-NH2 3.27Å; V54-R81 HydrophobicContact CG2-CB 4.24Å; E66-R81 PolarHBondContact O-NH1 3.02Å; E66-R81 PolarHBondContact O-NH2 3.01Å; A69-R81 PolarHBondContact O-NH2 3.18Å; A69-R81 VanDerWaalsContact O-NH2 3.12Å; R81-V83 HydrophobicContact CG-CG2 4.06Å
82V97.9Very high82.9Confident0 Ų042.6 Ų42.60%031%0.31CS..EExtended strand (participates in β ladder)trans-116.6124.6176.7-172.40000108.5L14 R20 M21 L23 L26 L41 F49 L50 L51L14-V82 HydrophobicContact CD1-CG1 3.98Å; L14-V82 HydrophobicContact CD2-CB 4.36Å; L14-V82 HydrophobicContact CD2-CG1 4.33Å; R20-V82 CarbonylContact C-O 3.52Å; R20-V82 WeakPolarHBondContact CA-O 3.31Å; M21-V82 PolarHBondContact N-O 2.98Å; M21-V82 PolarHBondContact O-N 3.28Å; L23-V82 HydrophobicContact CB-CG2 4.18Å; L23-V82 HydrophobicContact CD1-CG2 4.01Å; L26-V82 HydrophobicContact CD2-CB 4.27Å; L26-V82 HydrophobicContact CD2-CG1 4.14Å; L26-V82 HydrophobicContact CD2-CG2 4.21Å; L41-V82 HydrophobicContact CD1-CG1 4.23Å; L41-V82 HydrophobicContact CD1-CG2 4Å; L41-V82 HydrophobicContact CD2-CG1 3.97Å; F49-V82 HydrophobicContact CB-CG1 4.31Å; L50-V82 WeakPolarHBondContact O-CA 3.49Å; L51-V82 HydrophobicContact CD1-CG1 4.13Å; L51-V82 HydrophobicContact CD1-CG2 4.4Å; L51-V82 HydrophobicContact CG-CG2 4.36Å
83V98.5Very high85.6Confident0 Ų043.7 Ų43.70%030%0.301CS..EExtended strand (participates in β ladder)trans-118133.6179.1-171.10000109.9R20 F49 L50 R81 N234 I237 I238R20-V83 HydrophobicContact CB-CB 4.4Å; R20-V83 HydrophobicContact CB-CG1 4.36Å; R20-V83 HydrophobicContact CB-CG2 3.97Å; F49-V83 WeakPolarHBondContact CA-O 3.4Å; L50-V83 HydrophobicContact CB-CB 4.28Å; L50-V83 PolarHBondContact N-O 3.22Å; L50-V83 PolarHBondContact O-N 2.85Å; R81-V83 HydrophobicContact CG-CG2 4.06Å; V83-N234 HydrophobicContact CG1-CB 4.27Å; V83-I237 HydrophobicContact CG2-CG2 4.25Å; V83-I238 HydrophobicContact CG1-CD1 3.91Å; V83-I238 HydrophobicContact CG1-CG1 4.04Å
84A98.4Very high88Confident0 Ų041.6 Ų41.60%027%0.269CS..EExtended strand (participates in β ladder)trans-75127.1175.900000111.3L14 G19 L156 Q159 N160L14-A84 HydrophobicContact CB-CB 3.96Å; L14-A84 HydrophobicContact CD1-CB 3.94Å; G19-A84 PolarHBondContact O-N 3.41Å; A84-L156 HydrophobicContact CB-CD1 3.91Å; A84-Q159 PolarHBondContact O-NE2 3.27Å; A84-N160 PolarHBondContact O-ND2 2.95Å
85V98.3Very high90.4Very high5 Ų541.9 Ų41.93%0.0326%0.258CS..  trans-120146.2-178.7-173.80000109.4E47 R48 L50 N160 I238E47-V85 CarbonylContact O-C 3.6Å; E47-V85 WeakPolarHBondContact O-CG1 3.35Å; R48-V85 WeakPolarHBondContact CA-O 3.36Å; R48-V85 PolarHBondContact O-N 3.37Å; L50-V85 HydrophobicContact CB-CG2 3.83Å; V85-N160 WeakPolarHBondContact CA-OD1 3.4Å; V85-N160 WeakPolarHBondContact CG1-OD1 3.43Å; V85-I238 HydrophobicContact CG1-CG2 4.41Å; V85-I238 HydrophobicContact CG2-CD1 4.12Å; V85-I238 HydrophobicContact CG2-CG1 4.06Å
86S97.1Very high92.5Very high9 Ų944.2 Ų44.26%0.06324%0.236CC..  trans-149148.5175.5-174.20000111.7V88 R89 N160S86-V88 PolarHBondContact OG-N 3.39Å; S86-V88 VanDerWaalsContact OG-N 3.11Å; S86-R89 PolarHBondContact O-NH1 3.31Å; S86-R89 PolarHBondContact O-NH2 3.23Å; S86-R89 VanDerWaalsContact O-NH2 3.09Å; S86-N160 PolarHBondContact N-OD1 3.49Å; S86-N160 PolarHBondContact O-OD1 2.85Å
87S96Very high94Very high77 Ų7745 Ų4554%0.53825%0.245SC..  trans-89.2-6.2168.955.60000113.6R89 H143S87-R89 PolarHBondContact O-N 3.09Å; S87-R89 PolarHBondContact O-NH1 3.44Å; S87-H143 PolarHBondContact OG-CE1 3.12Å; S87-H143 VanDerWaalsContact OG-CE1 3.31Å; S87-H143 PolarHBondContact OG-ND1 3.35Å
88V96.6Very high95.1Very high3 Ų344.8 Ų44.82%0.01824%0.237CC..  trans-67.9131.7180178.60000111.3S86 L105 V139 H143 L145 L157S86-V88 PolarHBondContact OG-N 3.39Å; S86-V88 VanDerWaalsContact OG-N 3.11Å; V88-L105 HydrophobicContact CG1-CD1 3.44Å; V88-L105 VanDerWaalsContact CG1-CD1 3.44Å; V88-L105 HydrophobicContact CG1-CD2 4.41Å; V88-L105 HydrophobicContact CG1-CG 3.57Å; V88-V139 HydrophobicContact CG1-CG1 4.15Å; V88-H143 HydrophobicContact CG2-CB 3.49Å; V88-H143 VanDerWaalsContact CG2-CB 3.49Å; V88-L145 HydrophobicContact CB-CD1 4.23Å; V88-L145 HydrophobicContact CG2-CD1 3.66Å; V88-L157 HydrophobicContact CB-CD2 4.44Å; V88-L157 HydrophobicContact CG1-CD2 4.12Å; V88-L157 WeakPolarHBondContact O-CD2 3.28Å
89R97.2Very high95.8Very high45 Ų4541.9 Ų41.917%0.1722%0.216CC..  trans-129.5159.7-179.3-58.3-65.3173.5-913.8111S86 S87 L105 N160 D161S86-R89 PolarHBondContact O-NH1 3.31Å; S86-R89 PolarHBondContact O-NH2 3.23Å; S86-R89 VanDerWaalsContact O-NH2 3.09Å; S87-R89 PolarHBondContact O-N 3.09Å; S87-R89 PolarHBondContact O-NH1 3.44Å; R89-L105 PolarHBondContact O-N 2.92Å; R89-N160 PolarHBondContact NE-O 3.09Å; R89-N160 PolarHBondContact NH2-O 3.23Å; R89-D161 WeakPolarHBondContact CA-OD2 3.44Å; R89-D161 WeakPolarHBondContact CD-OD1 3.09Å
90L97Very high95.8Very high6 Ų648.9 Ų48.93%0.03125%0.245CC..BIsolated β-bridgetrans-70.1135.7165.1-67.1-175.2000110.2A92 Q104 L105 F107 R109 L157 D161 L164L90-A92 PolarHBondContact O-N 2.88Å; L90-A92 VanDerWaalsContact O-N 3.13Å; L90-Q104 PolarHBondContact O-OE1 3.03Å; L90-L105 HydrophobicContact CD2-CB 4.02Å; L90-F107 HydrophobicContact CD2-CB 3.94Å; L90-R109 HydrophobicContact CD1-CB 3.97Å; L90-R109 HydrophobicContact CD1-CG 4.24Å; L90-L157 HydrophobicContact CD2-CD1 4.24Å; L90-D161 PolarHBondContact N-OD2 3.4Å; L90-L164 HydrophobicContact CD1-CD2 3.68Å; L90-L164 HydrophobicContact CD1-CG 4.35Å
91C97.3Very high95.7Very high4 Ų448.2 Ų48.23%0.02726%0.259CS..  trans-69.5111.8177.3178.60000110.7R93 Y94 Q95 C99 C102 Q104 L105C91-R93 VanDerWaalsContact C-N 3.27Å; C91-R93 PolarHBondContact O-N 3.45Å; C91-Y94 WeakPolarHBondContact O-CB 3.47Å; C91-Y94 PolarHBondContact O-N 2.89Å; C91-Y94 PolarHBondContact SG-N 3.12Å; C91-Q95 WeakPolarHBondContact O-CG 3.48Å; C91-Q95 PolarHBondContact O-N 3.29Å; C91-Q95 VanDerWaalsContact O-N 3.14Å; C91-C99 VanDerWaalsContact SG-SG 3.69Å; C91-C102 PolarHBondContact SG-SG 3Å; C91-Q104 HydrophobicContact CB-CB 3.65Å; C91-L105 PolarHBondContact N-O 3.35Å
92A95.2Very high95.8Very high58 Ų5849.5 Ų49.548%0.47927%0.27SS..THydrogen-bonded Turntrans-63.3-32.1178.500000113.1L90 R96L90-A92 PolarHBondContact O-N 2.88Å; L90-A92 VanDerWaalsContact O-N 3.13Å; A92-R96 PolarHBondContact O-NH1 3.47Å
93R96.9Very high95.6Very high142 Ų14254.8 Ų54.854%0.53630%0.298SS..THydrogen-bonded Turntrans-70-38.3174.7-69176.558.8-176.5-2.1111.6C91 Q95 R96 G97 E98 C99C91-R93 VanDerWaalsContact C-N 3.27Å; C91-R93 PolarHBondContact O-N 3.45Å; R93-Q95 VanDerWaalsContact C-N 3.31Å; R93-Q95 PolarHBondContact O-N 3Å; R93-R96 PolarHBondContact O-N 2.93Å; R93-R96 VanDerWaalsContact O-N 3.08Å; R93-G97 PolarHBondContact O-N 3.45Å; R93-E98 HydrophobicContact CB-CB 4.4Å; R93-E98 PolarHBondContact NE-O 2.91Å; R93-E98 PolarHBondContact NH2-O 3.29Å; R93-E98 PolarHBondContact O-N 2.91Å; R93-C99 HydrophobicContact CB-CB 3.74Å
94Y96.1Very high95.6Very high34 Ų3458 Ų5813%0.13331%0.313CS..G310 helixtrans-62.3-40175.5-178.4-103.4000111.6C91 R96 G97 H106 L127 S128C91-Y94 WeakPolarHBondContact O-CB 3.47Å; C91-Y94 PolarHBondContact O-N 2.89Å; C91-Y94 PolarHBondContact SG-N 3.12Å; Y94-R96 PolarHBondContact O-N 2.65Å; Y94-G97 PolarHBondContact O-N 2.65Å; Y94-H106 VanDerWaalsContact CD1-CA 3.5Å; Y94-H106 HydrophobicContact CD1-CB 3.99Å; Y94-H106 HydrophobicContact CD2-CB 3.71Å; Y94-H106 AromaticContact CD2-CG 3.5Å; Y94-H106 VanDerWaalsContact CD2-CG 3.5Å; Y94-H106 AromaticContact CD2-ND1 3.56Å; Y94-H106 HydrophobicContact CE1-CB 4Å; Y94-H106 HydrophobicContact CE2-CB 3.74Å; Y94-H106 AromaticContact CE2-CG 3.94Å; Y94-H106 AromaticContact CE2-ND1 3.93Å; Y94-H106 HydrophobicContact CG-CB 3.83Å; Y94-H106 AromaticContact CG-CD2 3.96Å; Y94-H106 AromaticContact CG-CG 3.75Å; Y94-L127 HydrophobicContact CD1-CD2 4.23Å; Y94-L127 HydrophobicContact CE1-CB 4.09Å; Y94-L127 HydrophobicContact CE1-CD2 3.9Å; Y94-L127 HydrophobicContact CE1-CG 4.48Å; Y94-L127 VanDerWaalsContact O-CD2 3.27Å; Y94-L127 WeakPolarHBondContact O-CD2 3.42Å; Y94-S128 WeakPolarHBondContact OH-CB 3.31Å; Y94-S128 PolarHBondContact OH-N 2.8Å
95Q94.2Very high95.5Very high54 Ų5458.1 Ų58.125%0.25231%0.314SS..G310 helixtrans-59.8-18.4175.6-55.7-48.6-59.500113.6C91 R93 F107C91-Q95 WeakPolarHBondContact O-CG 3.48Å; C91-Q95 PolarHBondContact O-N 3.29Å; C91-Q95 VanDerWaalsContact O-N 3.14Å; R93-Q95 VanDerWaalsContact C-N 3.31Å; R93-Q95 PolarHBondContact O-N 3Å; Q95-F107 PolarHBondContact NE2-O 3.05Å
96R94.4Very high95.4Very high146 Ų14658.3 Ų58.355%0.55131%0.314SS*.G310 helixtrans-102.30.4175.7-61.3-168.3-58.7-85.9-0.3113.9A92 R93 Y94 E98A92-R96 PolarHBondContact O-NH1 3.47Å; R93-R96 PolarHBondContact O-N 2.93Å; R93-R96 VanDerWaalsContact O-N 3.08Å; Y94-R96 PolarHBondContact O-N 2.65Å; R96-E98 VanDerWaalsContact C-N 3.33Å; R96-E98 HydrophobicContact CB-CG 4.01Å; R96-E98 IonicContact CZ-OE2 3.28Å; R96-E98 VanDerWaalsContact CZ-OE2 3.28Å; R96-E98 VanDerWaalsContact NE-CD 3.31Å; R96-E98 IonicContact NE-OE1 3.14Å; R96-E98 PolarHBondContact NE-OE1 2.86Å; R96-E98 VanDerWaalsContact NE-OE1 3.14Å; R96-E98 IonicContact NE-OE2 2.91Å; R96-E98 PolarHBondContact NE-OE2 3.19Å; R96-E98 IonicContact NH2-OE2 2.79Å; R96-E98 PolarHBondContact NH2-OE2 2.84Å
97G93.4Very high95.3Very high56 Ų5658 Ų5858%0.57731%0.312SS*.THydrogen-bonded Turntrans75.916.6-174.800000114.5R93 Y94R93-G97 PolarHBondContact O-N 3.45Å; Y94-G97 PolarHBondContact O-N 2.65Å
98E94.9Very high95.2Very high100 Ų10054.4 Ų54.447%0.46729%0.286SS..  trans-106.218.5-172.2-62.1164.9-16700113.1R93 R96R93-E98 HydrophobicContact CB-CB 4.4Å; R93-E98 PolarHBondContact NE-O 2.91Å; R93-E98 PolarHBondContact NH2-O 3.29Å; R93-E98 PolarHBondContact O-N 2.91Å; R96-E98 VanDerWaalsContact C-N 3.33Å; R96-E98 HydrophobicContact CB-CG 4.01Å; R96-E98 IonicContact CZ-OE2 3.28Å; R96-E98 VanDerWaalsContact CZ-OE2 3.28Å; R96-E98 VanDerWaalsContact NE-CD 3.31Å; R96-E98 IonicContact NE-OE1 3.14Å; R96-E98 PolarHBondContact NE-OE1 2.86Å; R96-E98 VanDerWaalsContact NE-OE1 3.14Å; R96-E98 IonicContact NE-OE2 2.91Å; R96-E98 PolarHBondContact NE-OE2 3.19Å; R96-E98 IonicContact NH2-OE2 2.79Å; R96-E98 PolarHBondContact NH2-OE2 2.84Å
99C95.9Very high95.1Very high9 Ų958 Ų586%0.06130%0.3CS..  trans-137.9127.7-175.4-1630000112.5C91 R93 C102 H106C91-C99 VanDerWaalsContact SG-SG 3.69Å; R93-C99 HydrophobicContact CB-CB 3.74Å; C99-C102 VanDerWaalsContact SG-SG 3.69Å; C99-H106 PolarHBondContact SG-NE2 3.38Å
100Q89.1Confident94.9Very high170 Ų17061.1 Ų61.179%0.79431%0.312SS*.SBendtrans-100.4-43.8178.2-62.4-59.5-3100111.8H106Q100-H106 PolarHBondContact O-CE1 3.03Å
101A91.1Very high94.6Very high78 Ų7861.7 Ų61.765%0.64531%0.314SS*.SBendtrans-150.5140.8172.300000110.4
102C95.6Very high94.3Very high43 Ų4362 Ų6229%0.29132%0.315SS..  trans-159.9-175.3171.468.80000110.1C91 C99 Q104 H106C91-C102 PolarHBondContact SG-SG 3Å; C99-C102 VanDerWaalsContact SG-SG 3.69Å; C102-Q104 VanDerWaalsContact C-N 3.29Å; C102-Q104 PolarHBondContact SG-N 3.2Å; C102-Q104 VanDerWaalsContact SG-N 3.42Å; C102-H106 PolarHBondContact SG-NE2 2.86Å
103D95.5Very high94.1Very high111 Ų11161 Ų6159%0.59430%0.302SS*.SBendtrans-88.213.3177.864.1-18000113.9
104Q97.2Very high93.7Very high68 Ų6857.3 Ų57.332%0.31831%0.307SS..SBendtrans-118.4158.8179.4-71.2173.265.900111.6L90 C91 C102 H106L90-Q104 PolarHBondContact O-OE1 3.03Å; C91-Q104 HydrophobicContact CB-CB 3.65Å; C102-Q104 VanDerWaalsContact C-N 3.29Å; C102-Q104 PolarHBondContact SG-N 3.2Å; C102-Q104 VanDerWaalsContact SG-N 3.42Å; Q104-H106 PolarHBondContact O-CD2 3.26Å; Q104-H106 PolarHBondContact O-N 2.9Å
105L97.1Very high93.3Very high2 Ų260.1 Ų60.11%0.0132%0.32CS..BIsolated β-bridgetrans-70.8124.1-176.4-69.6174.7000111.8V88 R89 L90 C91 F107 N136 V139 L140 L153 L157V88-L105 HydrophobicContact CG1-CD1 3.44Å; V88-L105 VanDerWaalsContact CG1-CD1 3.44Å; V88-L105 HydrophobicContact CG1-CD2 4.41Å; V88-L105 HydrophobicContact CG1-CG 3.57Å; R89-L105 PolarHBondContact O-N 2.92Å; L90-L105 HydrophobicContact CD2-CB 4.02Å; C91-L105 PolarHBondContact N-O 3.35Å; L105-F107 PolarHBondContact O-N 3.34Å; L105-N136 WeakPolarHBondContact CA-OD1 3.43Å; L105-N136 HydrophobicContact CD2-CB 3.99Å; L105-V139 HydrophobicContact CD2-CB 4.23Å; L105-V139 HydrophobicContact CD2-CG1 3.99Å; L105-V139 HydrophobicContact CG-CG1 4.27Å; L105-L140 HydrophobicContact CD2-CD2 4.21Å; L105-L140 HydrophobicContact CD2-CG 4.19Å; L105-L153 HydrophobicContact CD1-CD1 4.32Å; L105-L153 HydrophobicContact CD1-CD2 4.05Å; L105-L157 HydrophobicContact CD1-CD1 3.75Å; L105-L157 HydrophobicContact CD1-CD2 4.05Å; L105-L157 HydrophobicContact CD1-CG 4.43Å
106H96.7Very high93.1Very high10 Ų1058.4 Ų58.45%0.04631%0.314CS..  trans-87.782.3170.8-72.8-163.4000108.6Y94 C99 Q100 C102 Q104 N136Y94-H106 VanDerWaalsContact CD1-CA 3.5Å; Y94-H106 HydrophobicContact CD1-CB 3.99Å; Y94-H106 HydrophobicContact CD2-CB 3.71Å; Y94-H106 AromaticContact CD2-CG 3.5Å; Y94-H106 VanDerWaalsContact CD2-CG 3.5Å; Y94-H106 AromaticContact CD2-ND1 3.56Å; Y94-H106 HydrophobicContact CE1-CB 4Å; Y94-H106 HydrophobicContact CE2-CB 3.74Å; Y94-H106 AromaticContact CE2-CG 3.94Å; Y94-H106 AromaticContact CE2-ND1 3.93Å; Y94-H106 HydrophobicContact CG-CB 3.83Å; Y94-H106 AromaticContact CG-CD2 3.96Å; Y94-H106 AromaticContact CG-CG 3.75Å; C99-H106 PolarHBondContact SG-NE2 3.38Å; Q100-H106 PolarHBondContact O-CE1 3.03Å; C102-H106 PolarHBondContact SG-NE2 2.86Å; Q104-H106 PolarHBondContact O-CD2 3.26Å; Q104-H106 PolarHBondContact O-N 2.9Å; H106-N136 PolarHBondContact N-OD1 2.89Å; H106-N136 PolarHBondContact O-ND2 2.99Å
107F94.7Very high92.2Very high3 Ų355.3 Ų55.31%0.01331%0.313CS..  trans-146.3140.7-175.3-161.8-84.2000111.2L90 Q95 L105 R109 H111 M112 H129 D130 I131 E150L90-F107 HydrophobicContact CD2-CB 3.94Å; Q95-F107 PolarHBondContact NE2-O 3.05Å; L105-F107 PolarHBondContact O-N 3.34Å; F107-R109 PolarHBondContact O-N 3.47Å; F107-H111 HydrophobicContact CE1-CB 4.36Å; F107-H111 AromaticContact CE1-CD2 3.43Å; F107-H111 VanDerWaalsContact CE1-CD2 3.43Å; F107-H111 WeakPolarHBondContact CE1-CD2 3.45Å; F107-H111 AromaticContact CZ-CD2 3.35Å; F107-H111 WeakPolarHBondContact CZ-CD2 3.37Å; F107-H111 AromaticContact CZ-NE2 3.97Å; F107-M112 HydrophobicContact CD1-CE 3.72Å; F107-M112 HydrophobicContact CD1-CG 3.41Å; F107-M112 VanDerWaalsContact CD1-CG 3.41Å; F107-M112 HydrophobicContact CD1-SD 4.17Å; F107-M112 HydrophobicContact CE1-CE 3.02Å; F107-M112 HydrophobicContact CE1-CG 3.57Å; F107-M112 HydrophobicContact CE1-SD 4.01Å; F107-M112 HydrophobicContact CE2-CE 4.33Å; F107-M112 HydrophobicContact CZ-CE 3.36Å; F107-H129 WeakPolarHBondContact CE2-O 3.38Å; F107-H129 VanDerWaalsContact CZ-O 3.28Å; F107-H129 WeakPolarHBondContact CZ-O 3.5Å; F107-D130 VanDerWaalsContact CE2-C 3.44Å; F107-I131 HydrophobicContact CD2-CB 4.38Å; F107-I131 HydrophobicContact CD2-CG2 3.56Å; F107-I131 HydrophobicContact CE2-CB 4.16Å; F107-I131 HydrophobicContact CE2-CG2 3.17Å; F107-I131 HydrophobicContact CG-CG2 4.45Å; F107-I131 HydrophobicContact CZ-CG2 3.82Å; F107-E150 HydrophobicContact CZ-CG 4.41Å
108C94Very high90.5Very high0 Ų056.5 Ų56.50%031%0.306CS..  trans-64.5116.1-177178.10000111.6R110 H111 M112 C125 L127 S128 H129C108-R110 VanDerWaalsContact C-N 3.3Å; C108-R110 PolarHBondContact O-N 3.37Å; C108-H111 HydrophobicContact CB-CB 3.85Å; C108-H111 PolarHBondContact O-N 3.39Å; C108-H111 VanDerWaalsContact O-N 3.15Å; C108-H111 PolarHBondContact SG-N 2.96Å; C108-M112 PolarHBondContact O-N 3.2Å; C108-C125 VanDerWaalsContact SG-SG 3.62Å; C108-L127 HydrophobicContact CB-CB 3.7Å; C108-L127 HydrophobicContact CB-CD1 4.47Å; C108-S128 VanDerWaalsContact CB-O 3.3Å; C108-S128 WeakPolarHBondContact CB-O 3.33Å; C108-S128 PolarHBondContact N-O 3.39Å; C108-H129 VanDerWaalsContact CB-CD2 3.42Å; C108-H129 WeakPolarHBondContact CB-CD2 3.29Å
109R94.4Very high88.6Confident79 Ų7961 Ų6130%0.29832%0.319SS..Hα-helixtrans-55.6-43.5175.9-178.6-152173.1933.3112.3L90 F107 H111 M112 L113 C163 L164 L165L90-R109 HydrophobicContact CD1-CB 3.97Å; L90-R109 HydrophobicContact CD1-CG 4.24Å; F107-R109 PolarHBondContact O-N 3.47Å; R109-H111 VanDerWaalsContact C-N 3.3Å; R109-H111 PolarHBondContact O-N 3.02Å; R109-M112 WeakPolarHBondContact O-CB 3.45Å; R109-M112 PolarHBondContact O-N 3.49Å; R109-L113 HydrophobicContact CG-CD1 4.28Å; R109-L113 WeakPolarHBondContact O-CG 3.46Å; R109-L113 PolarHBondContact O-N 3.48Å; R109-C163 PolarHBondContact NH1-O 3.21Å; R109-C163 PolarHBondContact NH2-O 3.33Å; R109-L164 HydrophobicContact CG-CD2 3.97Å; R109-L165 PolarHBondContact NH2-O 3.33Å
110R91.6Very high86.6Confident111 Ų11167.7 Ų67.742%0.41935%0.354SS..Hα-helixtrans-63.1-39.4180-66.6-170.3-63.2161.7-0.6111.3C108 L113 G114 K115 C116C108-R110 VanDerWaalsContact C-N 3.3Å; C108-R110 PolarHBondContact O-N 3.37Å; R110-L113 CarbonylContact O-C 3.31Å; R110-L113 PolarHBondContact O-N 2.79Å; R110-G114 PolarHBondContact O-N 3.47Å; R110-G114 VanDerWaalsContact O-N 3.12Å; R110-K115 PolarHBondContact O-N 3.3Å; R110-C116 HydrophobicContact CB-CB 4.05Å; R110-C116 PolarHBondContact O-N 3.24Å
111H91.8Very high84.7Confident17 Ų1761.9 Ų61.98%0.07933%0.332CS..Hα-helixtrans-71.6-35.9177.6-178.362.5000112.1F107 C108 R109 L113 G114 C116 H129 E150 R154F107-H111 HydrophobicContact CE1-CB 4.36Å; F107-H111 AromaticContact CE1-CD2 3.43Å; F107-H111 VanDerWaalsContact CE1-CD2 3.43Å; F107-H111 WeakPolarHBondContact CE1-CD2 3.45Å; F107-H111 AromaticContact CZ-CD2 3.35Å; F107-H111 WeakPolarHBondContact CZ-CD2 3.37Å; F107-H111 AromaticContact CZ-NE2 3.97Å; C108-H111 HydrophobicContact CB-CB 3.85Å; C108-H111 PolarHBondContact O-N 3.39Å; C108-H111 VanDerWaalsContact O-N 3.15Å; C108-H111 PolarHBondContact SG-N 2.96Å; R109-H111 VanDerWaalsContact C-N 3.3Å; R109-H111 PolarHBondContact O-N 3.02Å; H111-L113 PolarHBondContact O-N 3.16Å; H111-G114 PolarHBondContact O-N 3.25Å; H111-G114 VanDerWaalsContact O-N 3.1Å; H111-C116 HydrophobicContact CB-CB 3.91Å; H111-H129 AromaticContact CD2-CG 3.71Å; H111-H129 AromaticContact CG-CD2 3.79Å; H111-H129 AromaticContact CG-CG 3.65Å; H111-H129 AromaticContact CG-ND1 3.89Å; H111-H129 AromaticContact ND1-ND1 3.91Å; H111-E150 IonicContact CE1-OE1 3.84Å; H111-E150 IonicContact NE2-OE1 3.67Å; H111-E150 PolarHBondContact NE2-OE1 3.07Å; H111-E150 IonicContact NE2-OE2 3.88Å; H111-R154 PolarHBondContact NE2-NH2 3.13Å; H111-R154 PolarHBondContact O-NH2 3.47Å
112M91.5Very high82.9Confident10 Ų1069.8 Ų69.85%0.04935%0.345CS..Hα-helixtrans-56.2-40.2168.9-86.6-68103.400112.3F107 C108 R109 G114 E150 R154 L157 L164F107-M112 HydrophobicContact CD1-CE 3.72Å; F107-M112 HydrophobicContact CD1-CG 3.41Å; F107-M112 VanDerWaalsContact CD1-CG 3.41Å; F107-M112 HydrophobicContact CD1-SD 4.17Å; F107-M112 HydrophobicContact CE1-CE 3.02Å; F107-M112 HydrophobicContact CE1-CG 3.57Å; F107-M112 HydrophobicContact CE1-SD 4.01Å; F107-M112 HydrophobicContact CE2-CE 4.33Å; F107-M112 HydrophobicContact CZ-CE 3.36Å; C108-M112 PolarHBondContact O-N 3.2Å; R109-M112 WeakPolarHBondContact O-CB 3.45Å; R109-M112 PolarHBondContact O-N 3.49Å; M112-G114 VanDerWaalsContact C-N 3.33Å; M112-G114 PolarHBondContact O-N 2.97Å; M112-E150 HydrophobicContact CE-CG 3.72Å; M112-R154 HydrophobicContact CE-CG 3.58Å; M112-R154 WeakPolarHBondContact O-CD 3.15Å; M112-R154 PolarHBondContact O-NE 3.12Å; M112-R154 HydrophobicContact SD-CB 4.36Å; M112-R154 HydrophobicContact SD-CG 3.45Å; M112-R154 WeakPolarHBondContact SD-CG 3.47Å; M112-L157 HydrophobicContact SD-CD1 4.16Å; M112-L164 HydrophobicContact CB-CD2 4.36Å
113L90.6Very high81.2Confident38 Ų3872.4 Ų72.420%0.19936%0.364CS..THydrogen-bonded Turntrans-85.32.4178.9-62.2176.3000114.2R109 R110 H111 K115 L164 L227R109-L113 HydrophobicContact CG-CD1 4.28Å; R109-L113 WeakPolarHBondContact O-CG 3.46Å; R109-L113 PolarHBondContact O-N 3.48Å; R110-L113 CarbonylContact O-C 3.31Å; R110-L113 PolarHBondContact O-N 2.79Å; H111-L113 PolarHBondContact O-N 3.16Å; L113-K115 VanDerWaalsContact C-N 3.26Å; L113-K115 HydrophobicContact CB-CD 4.29Å; L113-K115 HydrophobicContact CB-CG 4.3Å; L113-K115 PolarHBondContact O-N 2.95Å; L113-L164 HydrophobicContact CD2-CB 4.49Å; L113-L164 HydrophobicContact CD2-CD2 4.13Å; L113-L164 HydrophobicContact CG-CD2 4.22Å; L113-L227 HydrophobicContact CD2-CD2 3.73Å
114G88.4Confident80.3Confident64 Ų6471.4 Ų71.466%0.6636%0.362SS*.THydrogen-bonded Turntrans70.716.2-177.900000115R110 H111 M112R110-G114 PolarHBondContact O-N 3.47Å; R110-G114 VanDerWaalsContact O-N 3.12Å; H111-G114 PolarHBondContact O-N 3.25Å; H111-G114 VanDerWaalsContact O-N 3.1Å; M112-G114 VanDerWaalsContact C-N 3.33Å; M112-G114 PolarHBondContact O-N 2.97Å
115K87.8Confident79.8Confident93 Ų9368.9 Ų68.940%0.40435%0.352SS..  trans-108.810.6-174.2-61.3179-175.7-1790113.9R110 L113 Q225R110-K115 PolarHBondContact O-N 3.3Å; L113-K115 VanDerWaalsContact C-N 3.26Å; L113-K115 HydrophobicContact CB-CD 4.29Å; L113-K115 HydrophobicContact CB-CG 4.3Å; L113-K115 PolarHBondContact O-N 2.95Å; K115-Q225 WeakPolarHBondContact CE-O 3.47Å; K115-Q225 PolarHBondContact NZ-O 3.4Å
116C89.4Confident79.4Confident18 Ų1875.6 Ų75.612%0.12239%0.393CS..SBendtrans-83.3126.1178.8-155.30000109.6R110 H111 N118 C125 H129R110-C116 HydrophobicContact CB-CB 4.05Å; R110-C116 PolarHBondContact O-N 3.24Å; H111-C116 HydrophobicContact CB-CB 3.91Å; C116-N118 PolarHBondContact O-N 3.1Å; C116-C125 VanDerWaalsContact SG-SG 3.68Å; C116-H129 PolarHBondContact SG-CE1 2.86Å; C116-H129 PolarHBondContact SG-NE2 3.06Å
117P76.4Confident79.2Confident82 Ų8276.5 Ų76.553%0.53240%0.398SS..SBendtrans-67.66.3-163.521.8-32000117.8
118N57.9Low79.1Confident81 Ų8177.7 Ų77.743%0.43341%0.407SS..  trans-166146159.8-126.9-26.4000112.5C116 D120 C121C116-N118 PolarHBondContact O-N 3.1Å; N118-D120 VanDerWaalsContact C-N 3.33Å; N118-C121 HydrophobicContact CB-CB 3.56Å; N118-C121 WeakPolarHBondContact ND2-CB 3.24Å
119R53.6Low79Confident194 Ų19479.6 Ų79.673%0.73242%0.416SS*.SBendtrans-76.3-24.6164.2-92.3-176.6171.5-113.1-3.7111.6
120D53.4Low78.8Confident149 Ų14979.4 Ų79.480%0.79742%0.421SS*.SBendtrans-118.25.3-166.1-53.2-41.7000114.7N118N118-D120 VanDerWaalsContact C-N 3.33Å
121C50.5Low78.9Confident49 Ų4974.3 Ų74.333%0.33140%0.402SS..  trans-123.181.7-178.1-154.40000110N118 S123N118-C121 HydrophobicContact CB-CB 3.56Å; N118-C121 WeakPolarHBondContact ND2-CB 3.24Å; C121-S123 PolarHBondContact O-N 3.36Å; C121-S123 PolarHBondContact SG-OG 3.25Å
122W52.7Low79Confident243 Ų24378.6 Ų78.692%0.9242%0.421SS*.THydrogen-bonded Turntrans-56.2-10.3173.7-95.9-29.1000114.1T124W122-T124 VanDerWaalsContact C-N 3.34Å; W122-T124 PolarHBondContact O-N 2.9Å
123S60Low79.1Confident99 Ų9979.6 Ų79.669%0.69243%0.428SS*.THydrogen-bonded Turntrans-77.1-8.7-172.561.30000115.5C121C121-S123 PolarHBondContact O-N 3.36Å; C121-S123 PolarHBondContact SG-OG 3.25Å
124T76.5Confident79.2Confident89 Ų8983 Ų8355%0.54645%0.452SS..SBendtrans-120.3-18.3-176.363.50000115.7W122W122-T124 VanDerWaalsContact C-N 3.34Å; W122-T124 PolarHBondContact O-N 2.9Å
125C87.3Confident79.5Confident16 Ų1681.9 Ų81.911%0.10843%0.433CS..  trans-111.4114.6177.7-170.50000110.4C108 C116 L127 H129C108-C125 VanDerWaalsContact SG-SG 3.62Å; C116-C125 VanDerWaalsContact SG-SG 3.68Å; C125-L127 VanDerWaalsContact C-N 3.28Å; C125-H129 PolarHBondContact SG-NE2 3.12Å; C125-H129 VanDerWaalsContact SG-NE2 3.35Å
126T88.4Confident79.9Confident143 Ų14377.4 Ų77.488%0.87741%0.413SS*.  trans-82.2-7178.1560000113.4
127L92.2Very high80.2Confident29 Ų2980.2 Ų80.215%0.15243%0.426CS..SBendtrans-95.8143.6-179.8-56.7-178000110.9Y94 C108 C125 H129Y94-L127 HydrophobicContact CD1-CD2 4.23Å; Y94-L127 HydrophobicContact CE1-CB 4.09Å; Y94-L127 HydrophobicContact CE1-CD2 3.9Å; Y94-L127 HydrophobicContact CE1-CG 4.48Å; Y94-L127 VanDerWaalsContact O-CD2 3.27Å; Y94-L127 WeakPolarHBondContact O-CD2 3.42Å; C108-L127 HydrophobicContact CB-CB 3.7Å; C108-L127 HydrophobicContact CB-CD1 4.47Å; C125-L127 VanDerWaalsContact C-N 3.28Å; L127-H129 PolarHBondContact O-CD2 3.42Å
128S92.1Very high81.1Confident28 Ų2881.1 Ų81.120%0.19642%0.423CS..  trans-61.2136-179.6-177.70000111.8Y94 C108 D130Y94-S128 WeakPolarHBondContact OH-CB 3.31Å; Y94-S128 PolarHBondContact OH-N 2.8Å; C108-S128 VanDerWaalsContact CB-O 3.3Å; C108-S128 WeakPolarHBondContact CB-O 3.33Å; C108-S128 PolarHBondContact N-O 3.39Å; S128-D130 PolarHBondContact OG-N 3.05Å; S128-D130 PolarHBondContact OG-O 2.73Å
129H92.3Very high82.9Confident39 Ų3977.5 Ų77.518%0.18140%0.403CS..  trans-103.86.4168.6-66-179.8000111.8F107 C108 H111 C116 C125 L127F107-H129 WeakPolarHBondContact CE2-O 3.38Å; F107-H129 VanDerWaalsContact CZ-O 3.28Å; F107-H129 WeakPolarHBondContact CZ-O 3.5Å; C108-H129 VanDerWaalsContact CB-CD2 3.42Å; C108-H129 WeakPolarHBondContact CB-CD2 3.29Å; H111-H129 AromaticContact CD2-CG 3.71Å; H111-H129 AromaticContact CG-CD2 3.79Å; H111-H129 AromaticContact CG-CG 3.65Å; H111-H129 AromaticContact CG-ND1 3.89Å; H111-H129 AromaticContact ND1-ND1 3.91Å; C116-H129 PolarHBondContact SG-CE1 2.86Å; C116-H129 PolarHBondContact SG-NE2 3.06Å; C125-H129 PolarHBondContact SG-NE2 3.12Å; C125-H129 VanDerWaalsContact SG-NE2 3.35Å; L127-H129 PolarHBondContact O-CD2 3.42Å
130D91.6Very high84.9Confident75 Ų7568.5 Ų68.540%0.40137%0.37SS..  trans-105.6123.9-179.6-179.320.7000111.5F107 S128 H132 T133 N136F107-D130 VanDerWaalsContact CE2-C 3.44Å; S128-D130 PolarHBondContact OG-N 3.05Å; S128-D130 PolarHBondContact OG-O 2.73Å; D130-H132 VanDerWaalsContact C-N 3.27Å; D130-H132 WeakPolarHBondContact OD1-CB 3.43Å; D130-H132 IonicContact OD1-CD2 2.78Å; D130-H132 IonicContact OD1-CG 2.89Å; D130-H132 PolarHBondContact OD1-N 2.93Å; D130-T133 HydrophobicContact CB-CG2 4.26Å; D130-T133 WeakPolarHBondContact O-CG2 3.43Å; D130-N136 PolarHBondContact O-ND2 2.94Å
131I93.1Very high86.8Confident4 Ų468 Ų682%0.02136%0.361CS..THydrogen-bonded Turntrans-79.5-13.9176.362.1166.3000111.6F107 N136 E150 L153F107-I131 HydrophobicContact CD2-CB 4.38Å; F107-I131 HydrophobicContact CD2-CG2 3.56Å; F107-I131 HydrophobicContact CE2-CB 4.16Å; F107-I131 HydrophobicContact CE2-CG2 3.17Å; F107-I131 HydrophobicContact CG-CG2 4.45Å; F107-I131 HydrophobicContact CZ-CG2 3.82Å; I131-N136 WeakPolarHBondContact O-CB 3.49Å; I131-E150 HydrophobicContact CD1-CB 4.22Å; I131-E150 HydrophobicContact CG2-CG 4.38Å; I131-L153 HydrophobicContact CB-CD2 4.27Å; I131-L153 HydrophobicContact CG2-CD2 3.75Å
132H92.4Very high88.9Confident107 Ų10771 Ų7150%0.49537%0.373SS..THydrogen-bonded Turntrans-98.317.9-175.8-57.8-61.4000113.4D130D130-H132 VanDerWaalsContact C-N 3.27Å; D130-H132 WeakPolarHBondContact OD1-CB 3.43Å; D130-H132 IonicContact OD1-CD2 2.78Å; D130-H132 IonicContact OD1-CG 2.89Å; D130-H132 PolarHBondContact OD1-N 2.93Å
133T94Very high90.8Very high31 Ų3162.4 Ų62.419%0.1934%0.343CS..SBendtrans-60.5151.2168.267.90000110.8D130 V135 N136 M137D130-T133 HydrophobicContact CB-CG2 4.26Å; D130-T133 WeakPolarHBondContact O-CG2 3.43Å; T133-V135 VanDerWaalsContact C-N 3.26Å; T133-V135 PolarHBondContact O-N 3.46Å; T133-N136 PolarHBondContact O-N 3.14Å; T133-N136 WeakPolarHBondContact OG1-CB 3.24Å; T133-N136 PolarHBondContact OG1-N 3.4Å; T133-N136 PolarHBondContact OG1-ND2 2.86Å; T133-N136 VanDerWaalsContact OG1-ND2 3.11Å; T133-M137 WeakPolarHBondContact O-CG 3.46Å; T133-M137 PolarHBondContact O-N 3.05Å
134P94Very high92.4Very high109 Ų10958.7 Ų58.771%0.70832%0.32SS*.Hα-helixtrans-53.8-39.9-179.5-29.135.7000114.1Q138P134-Q138 PolarHBondContact O-N 3.2Å
135V94.1Very high93.3Very high41 Ų4154.7 Ų54.725%0.24830%0.296CS..Hα-helixtrans-63.2-48.9176.4-179.90000110.6T133 Q138 V139T133-V135 VanDerWaalsContact C-N 3.26Å; T133-V135 PolarHBondContact O-N 3.46Å; V135-Q138 PolarHBondContact O-N 3.34Å; V135-V139 WeakPolarHBondContact O-CG2 3.34Å; V135-V139 PolarHBondContact O-N 3.5Å; V135-V139 VanDerWaalsContact O-N 3.15Å
136N95.9Very high93.3Very high0 Ų059.6 Ų59.60%032%0.315CS..Hα-helixtrans-67.1-39-179.1-69.7-19.3000112.1L105 H106 D130 I131 T133 Q138 V139 L140L105-N136 WeakPolarHBondContact CA-OD1 3.43Å; L105-N136 HydrophobicContact CD2-CB 3.99Å; H106-N136 PolarHBondContact N-OD1 2.89Å; H106-N136 PolarHBondContact O-ND2 2.99Å; D130-N136 PolarHBondContact O-ND2 2.94Å; I131-N136 WeakPolarHBondContact O-CB 3.49Å; T133-N136 PolarHBondContact O-N 3.14Å; T133-N136 WeakPolarHBondContact OG1-CB 3.24Å; T133-N136 PolarHBondContact OG1-N 3.4Å; T133-N136 PolarHBondContact OG1-ND2 2.86Å; T133-N136 VanDerWaalsContact OG1-ND2 3.11Å; N136-Q138 VanDerWaalsContact C-N 3.29Å; N136-Q138 PolarHBondContact O-N 2.92Å; N136-V139 PolarHBondContact O-N 3.27Å; N136-L140 WeakPolarHBondContact O-CB 3.48Å; N136-L140 VanDerWaalsContact O-CG 3.26Å; N136-L140 WeakPolarHBondContact O-CG 3.46Å; N136-L140 PolarHBondContact O-N 2.89Å
137M95.1Very high93.2Very high76 Ų7654.9 Ų54.937%0.37430%0.296SS..Hα-helixtrans-58.6-41.6175.5-74.9178.357.200111.9T133 L140 K141 F146T133-M137 WeakPolarHBondContact O-CG 3.46Å; T133-M137 PolarHBondContact O-N 3.05Å; M137-L140 PolarHBondContact O-N 3.4Å; M137-K141 VanDerWaalsContact O-CB 3.29Å; M137-K141 WeakPolarHBondContact O-CB 3.47Å; M137-K141 PolarHBondContact O-N 2.92Å; M137-F146 HydrophobicContact CE-CE2 4.09Å
138Q95.2Very high93.4Very high102 Ų10253.7 Ų53.748%0.47729%0.29SS..Hα-helixtrans-65-45177-171.96252.400111.6P134 V135 N136 K141 N142P134-Q138 PolarHBondContact O-N 3.2Å; V135-Q138 PolarHBondContact O-N 3.34Å; N136-Q138 VanDerWaalsContact C-N 3.29Å; N136-Q138 PolarHBondContact O-N 2.92Å; Q138-K141 PolarHBondContact O-N 3.04Å; Q138-N142 PolarHBondContact NE2-OD1 3.39Å; Q138-N142 WeakPolarHBondContact O-CB 3.48Å; Q138-N142 PolarHBondContact O-N 2.74Å; Q138-N142 PolarHBondContact O-OD1 2.87Å
139V96.3Very high93.5Very high4 Ų456.1 Ų56.12%0.02430%0.3CS..Hα-helixtrans-59.1-51.8175.2174.70000110.4V88 L105 V135 N136 K141 N142 H143V88-V139 HydrophobicContact CG1-CG1 4.15Å; L105-V139 HydrophobicContact CD2-CB 4.23Å; L105-V139 HydrophobicContact CD2-CG1 3.99Å; L105-V139 HydrophobicContact CG-CG1 4.27Å; V135-V139 WeakPolarHBondContact O-CG2 3.34Å; V135-V139 PolarHBondContact O-N 3.5Å; V135-V139 VanDerWaalsContact O-N 3.15Å; N136-V139 PolarHBondContact O-N 3.27Å; V139-K141 VanDerWaalsContact C-N 3.29Å; V139-K141 PolarHBondContact O-N 2.82Å; V139-N142 PolarHBondContact O-N 3.02Å; V139-H143 PolarHBondContact O-CD2 2.79Å; V139-H143 VanDerWaalsContact O-CD2 3.22Å; V139-H143 PolarHBondContact O-N 2.69Å; V139-H143 VanDerWaalsContact O-N 3.13Å
140L95.7Very high93.6Very high6 Ų656.4 Ų56.43%0.03130%0.302CS..Hα-helixtrans-59.8-39.6179.9-68172.7000112L105 N136 M137 H143 G144 L145 F146 L153L105-L140 HydrophobicContact CD2-CD2 4.21Å; L105-L140 HydrophobicContact CD2-CG 4.19Å; N136-L140 WeakPolarHBondContact O-CB 3.48Å; N136-L140 VanDerWaalsContact O-CG 3.26Å; N136-L140 WeakPolarHBondContact O-CG 3.46Å; N136-L140 PolarHBondContact O-N 2.89Å; M137-L140 PolarHBondContact O-N 3.4Å; L140-H143 PolarHBondContact O-N 3.22Å; L140-G144 PolarHBondContact O-N 3.12Å; L140-G144 VanDerWaalsContact O-N 3.16Å; L140-L145 HydrophobicContact CB-CB 4.44Å; L140-L145 HydrophobicContact CD2-CB 3.89Å; L140-L145 HydrophobicContact CD2-CD1 4.36Å; L140-L145 WeakPolarHBondContact O-CA 3.35Å; L140-L145 PolarHBondContact O-N 3.29Å; L140-F146 PolarHBondContact O-N 3.2Å; L140-L153 HydrophobicContact CD2-CD1 3.98Å; L140-L153 HydrophobicContact CD2-CD2 4.34Å
141K94.1Very high93.8Very high139 Ų13955.7 Ų55.760%0.60431%0.306SS*.Hα-helixtrans-64.5-47.4176.2-173.1178.2179.2-178.60111.9M137 Q138 V139 H143 G144M137-K141 VanDerWaalsContact O-CB 3.29Å; M137-K141 WeakPolarHBondContact O-CB 3.47Å; M137-K141 PolarHBondContact O-N 2.92Å; Q138-K141 PolarHBondContact O-N 3.04Å; V139-K141 VanDerWaalsContact C-N 3.29Å; V139-K141 PolarHBondContact O-N 2.82Å; K141-H143 PolarHBondContact O-N 3.37Å; K141-G144 PolarHBondContact O-N 3.5Å
142N94Very high94Very high110 Ų11056.2 Ų56.259%0.58831%0.308SS*.Hα-helixtrans-59.9-32.4-179.9-71-5.4000112.5Q138 V139Q138-N142 PolarHBondContact NE2-OD1 3.39Å; Q138-N142 WeakPolarHBondContact O-CB 3.48Å; Q138-N142 PolarHBondContact O-N 2.74Å; Q138-N142 PolarHBondContact O-OD1 2.87Å; V139-N142 PolarHBondContact O-N 3.02Å
143H93.3Very high94.2Very high63 Ų6351.3 Ų51.329%0.29229%0.286SS..THydrogen-bonded Turntrans-93.94.3178.3-70.3-91.1000114S87 V88 V139 L140 K141 L145S87-H143 PolarHBondContact OG-CE1 3.12Å; S87-H143 VanDerWaalsContact OG-CE1 3.31Å; S87-H143 PolarHBondContact OG-ND1 3.35Å; V88-H143 HydrophobicContact CG2-CB 3.49Å; V88-H143 VanDerWaalsContact CG2-CB 3.49Å; V139-H143 PolarHBondContact O-CD2 2.79Å; V139-H143 VanDerWaalsContact O-CD2 3.22Å; V139-H143 PolarHBondContact O-N 2.69Å; V139-H143 VanDerWaalsContact O-N 3.13Å; L140-H143 PolarHBondContact O-N 3.22Å; K141-H143 PolarHBondContact O-N 3.37Å; H143-L145 VanDerWaalsContact C-N 3.28Å; H143-L145 HydrophobicContact CB-CD1 4.14Å; H143-L145 HydrophobicContact CB-CG 4.1Å; H143-L145 PolarHBondContact O-N 3.34Å
144G93.2Very high94.3Very high21 Ų2152.7 Ų52.722%0.21629%0.287CS..THydrogen-bonded Turntrans6530.6-179.800000113.8S8 R48 L140 K141S8-G144 WeakPolarHBondContact CB-O 3.35Å; S8-G144 PolarHBondContact OG-O 3.3Å; R48-G144 PolarHBondContact NH2-O 3.1Å; L140-G144 PolarHBondContact O-N 3.12Å; L140-G144 VanDerWaalsContact O-N 3.16Å; K141-G144 PolarHBondContact O-N 3.5Å
145L95.1Very high94.5Very high5 Ų548.8 Ų48.83%0.02626%0.26CS..  trans-108.69.3178.9-56.7179.8000112.3T11 V88 L140 H143 G147 L148 L156T11-L145 HydrophobicContact CG2-CD2 3.85Å; V88-L145 HydrophobicContact CB-CD1 4.23Å; V88-L145 HydrophobicContact CG2-CD1 3.66Å; L140-L145 HydrophobicContact CB-CB 4.44Å; L140-L145 HydrophobicContact CD2-CB 3.89Å; L140-L145 HydrophobicContact CD2-CD1 4.36Å; L140-L145 WeakPolarHBondContact O-CA 3.35Å; L140-L145 PolarHBondContact O-N 3.29Å; H143-L145 VanDerWaalsContact C-N 3.28Å; H143-L145 HydrophobicContact CB-CD1 4.14Å; H143-L145 HydrophobicContact CB-CG 4.1Å; H143-L145 PolarHBondContact O-N 3.34Å; L145-G147 PolarHBondContact O-N 2.72Å; L145-L148 HydrophobicContact CB-CD1 4.12Å; L145-L148 HydrophobicContact CD2-CD1 4.1Å; L145-L148 PolarHBondContact O-N 3.33Å; L145-L156 HydrophobicContact CD1-CD2 3.75Å; L145-L156 HydrophobicContact CD2-CD2 3.69Å; L145-L156 HydrophobicContact CG-CD2 4.35Å
146F86.9Confident94.6Very high119 Ų11946.9 Ų46.952%0.52225%0.249SC..THydrogen-bonded Turntrans-61124.4175.8-168-96.3000109.8S8 M137 L140S8-F146 PolarHBondContact OG-O 2.85Å; M137-F146 HydrophobicContact CE-CE2 4.09Å; L140-F146 PolarHBondContact O-N 3.2Å
147G87.8Confident94.7Very high45 Ų4547 Ų4746%0.46425%0.249SC..THydrogen-bonded Turntrans99.80.1-178.900000115.7K12 L145K12-G147 PolarHBondContact NZ-O 3.32Å; L145-G147 PolarHBondContact O-N 2.72Å
148L94.8Very high94.8Very high4 Ų444 Ų442%0.02124%0.235CC..  trans-69.3136.2161.6-65.8-173.1000109.8T11 K12 L145 Q152 L153 L156T11-L148 HydrophobicContact CG2-CD1 4.32Å; K12-L148 HydrophobicContact CB-CD2 3.82Å; K12-L148 HydrophobicContact CG-CD2 4.08Å; L145-L148 HydrophobicContact CB-CD1 4.12Å; L145-L148 HydrophobicContact CD2-CD1 4.1Å; L145-L148 PolarHBondContact O-N 3.33Å; L148-Q152 HydrophobicContact CB-CB 4.31Å; L148-Q152 HydrophobicContact CD2-CB 4.09Å; L148-L153 HydrophobicContact CD1-CD1 4.49Å; L148-L156 HydrophobicContact CD1-CD2 3.77Å
149N94.8Very high94.9Very high78 Ų7839.2 Ų39.242%0.41721%0.212SC..  trans-82.1171.2168.56937.4000111A151 Q152 L153N149-A151 VanDerWaalsContact C-N 3.31Å; N149-A151 PolarHBondContact O-N 3.28Å; N149-A151 PolarHBondContact OD1-N 2.83Å; N149-A151 VanDerWaalsContact OD1-N 3.11Å; N149-Q152 VanDerWaalsContact N-OE1 3.08Å; N149-Q152 PolarHBondContact O-N 3.38Å; N149-Q152 WeakPolarHBondContact OD1-CG 3.27Å; N149-Q152 PolarHBondContact OD1-N 3.36Å; N149-L153 WeakPolarHBondContact O-CB 3.38Å; N149-L153 PolarHBondContact O-N 3.3Å
150E94.7Very high95Very high46 Ų4639.2 Ų39.222%0.21521%0.212CC..Hα-helixtrans-58.1-38.7-177.9-171-172.612100113.3F107 H111 M112 I131 L153 R154F107-E150 HydrophobicContact CZ-CG 4.41Å; H111-E150 IonicContact CE1-OE1 3.84Å; H111-E150 IonicContact NE2-OE1 3.67Å; H111-E150 PolarHBondContact NE2-OE1 3.07Å; H111-E150 IonicContact NE2-OE2 3.88Å; M112-E150 HydrophobicContact CE-CG 3.72Å; I131-E150 HydrophobicContact CD1-CB 4.22Å; I131-E150 HydrophobicContact CG2-CG 4.38Å; E150-L153 PolarHBondContact O-N 3.35Å; E150-R154 WeakPolarHBondContact O-CG 3.49Å; E150-R154 PolarHBondContact O-N 2.96Å; E150-R154 IonicContact OE1-CZ 3.63Å; E150-R154 IonicContact OE1-NH1 2.61Å; E150-R154 PolarHBondContact OE1-NH1 3.22Å; E150-R154 IonicContact OE1-NH2 3.74Å; E150-R154 PolarHBondContact OE1-NH2 3.21Å
151A95.1Very high95.1Very high59 Ų5939.3 Ų39.349%0.48821%0.213SC..Hα-helixtrans-67.6-43178.900000112N149 R154 I155N149-A151 VanDerWaalsContact C-N 3.31Å; N149-A151 PolarHBondContact O-N 3.28Å; N149-A151 PolarHBondContact OD1-N 2.83Å; N149-A151 VanDerWaalsContact OD1-N 3.11Å; A151-R154 WeakPolarHBondContact O-CB 3.37Å; A151-R154 PolarHBondContact O-N 3.5Å; A151-I155 PolarHBondContact O-N 3.24Å
152Q97.3Very high95.1Very high16 Ų1634.6 Ų34.68%0.07520%0.197CC..Hα-helixtrans-65.5-40.9175.5-69.8168.1-30.600111.4K12 C15 L148 N149 R154 I155 L156K12-Q152 VanDerWaalsContact CG-NE2 3.3Å; K12-Q152 PolarHBondContact O-NE2 2.92Å; C15-Q152 HydrophobicContact CB-CB 3.79Å; C15-Q152 HydrophobicContact CB-CG 4.13Å; L148-Q152 HydrophobicContact CB-CB 4.31Å; L148-Q152 HydrophobicContact CD2-CB 4.09Å; N149-Q152 VanDerWaalsContact N-OE1 3.08Å; N149-Q152 PolarHBondContact O-N 3.38Å; N149-Q152 WeakPolarHBondContact OD1-CG 3.27Å; N149-Q152 PolarHBondContact OD1-N 3.36Å; Q152-R154 VanDerWaalsContact C-N 3.35Å; Q152-I155 PolarHBondContact O-N 3.24Å; Q152-L156 PolarHBondContact O-N 2.86Å
153L96.8Very high95Very high3 Ų331.5 Ų31.52%0.01618%0.183CC..Hα-helixtrans-65.2-37.9177.1-17163.1000111.7L105 I131 L140 L148 N149 E150 I155 L156 L157L105-L153 HydrophobicContact CD1-CD1 4.32Å; L105-L153 HydrophobicContact CD1-CD2 4.05Å; I131-L153 HydrophobicContact CB-CD2 4.27Å; I131-L153 HydrophobicContact CG2-CD2 3.75Å; L140-L153 HydrophobicContact CD2-CD1 3.98Å; L140-L153 HydrophobicContact CD2-CD2 4.34Å; L148-L153 HydrophobicContact CD1-CD1 4.49Å; N149-L153 WeakPolarHBondContact O-CB 3.38Å; N149-L153 PolarHBondContact O-N 3.3Å; E150-L153 PolarHBondContact O-N 3.35Å; L153-I155 PolarHBondContact O-N 3.23Å; L153-L156 PolarHBondContact O-N 2.73Å; L153-L157 HydrophobicContact CD1-CD1 4.23Å; L153-L157 HydrophobicContact CD1-CG 4.09Å; L153-L157 HydrophobicContact CD2-CD1 4.37Å; L153-L157 HydrophobicContact CG-CD1 3.86Å; L153-L157 HydrophobicContact CG-CG 4.15Å; L153-L157 WeakPolarHBondContact O-CB 3.38Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.43Å; L153-L157 PolarHBondContact O-N 3.24Å
154R96.1Very high95.1Very high60 Ų6028.7 Ų28.723%0.22617%0.17CC..Hα-helixtrans-55.9-48.6173-81.6-178.9175.1109.97.9112H111 M112 E150 A151 Q152 L158H111-R154 PolarHBondContact NE2-NH2 3.13Å; H111-R154 PolarHBondContact O-NH2 3.47Å; M112-R154 HydrophobicContact CE-CG 3.58Å; M112-R154 WeakPolarHBondContact O-CD 3.15Å; M112-R154 PolarHBondContact O-NE 3.12Å; M112-R154 HydrophobicContact SD-CB 4.36Å; M112-R154 HydrophobicContact SD-CG 3.45Å; M112-R154 WeakPolarHBondContact SD-CG 3.47Å; E150-R154 WeakPolarHBondContact O-CG 3.49Å; E150-R154 PolarHBondContact O-N 2.96Å; E150-R154 IonicContact OE1-CZ 3.63Å; E150-R154 IonicContact OE1-NH1 2.61Å; E150-R154 PolarHBondContact OE1-NH1 3.22Å; E150-R154 IonicContact OE1-NH2 3.74Å; E150-R154 PolarHBondContact OE1-NH2 3.21Å; A151-R154 WeakPolarHBondContact O-CB 3.37Å; A151-R154 PolarHBondContact O-N 3.5Å; Q152-R154 VanDerWaalsContact C-N 3.35Å; R154-L158 VanDerWaalsContact O-CB 3.24Å; R154-L158 WeakPolarHBondContact O-CB 3.12Å; R154-L158 PolarHBondContact O-N 3.31Å
155I97.5Very high95.1Very high28 Ų2827.9 Ų27.914%0.14416%0.161CC..Hα-helixtrans-60.5-51.3177.9-64.8-62.5000110.3A151 Q152 L153 L157 L158 Q159A151-I155 PolarHBondContact O-N 3.24Å; Q152-I155 PolarHBondContact O-N 3.24Å; L153-I155 PolarHBondContact O-N 3.23Å; I155-L157 VanDerWaalsContact C-N 3.34Å; I155-L157 PolarHBondContact O-N 3.02Å; I155-L158 PolarHBondContact O-N 3.4Å; I155-Q159 WeakPolarHBondContact O-CG 3.3Å; I155-Q159 PolarHBondContact O-N 3.38Å
156L98.1Very high95Very high0 Ų028 Ų280%016%0.161CC..Hα-helixtrans-60.3-43.7-177.9-172.962.9000112.1T11 A84 L145 L148 Q152 L153 Q159 N160T11-L156 HydrophobicContact CG2-CD1 4.45Å; T11-L156 HydrophobicContact CG2-CD2 4.12Å; A84-L156 HydrophobicContact CB-CD1 3.91Å; L145-L156 HydrophobicContact CD1-CD2 3.75Å; L145-L156 HydrophobicContact CD2-CD2 3.69Å; L145-L156 HydrophobicContact CG-CD2 4.35Å; L148-L156 HydrophobicContact CD1-CD2 3.77Å; Q152-L156 PolarHBondContact O-N 2.86Å; L153-L156 PolarHBondContact O-N 2.73Å; L156-Q159 WeakPolarHBondContact O-CG 3.39Å; L156-N160 WeakPolarHBondContact O-CB 3.15Å; L156-N160 PolarHBondContact O-N 2.79Å; L156-N160 PolarHBondContact O-ND2 3.29Å
157L97.7Very high95.2Very high2 Ų227.6 Ų27.61%0.0116%0.162CC..Hα-helixtrans-71-44.7179.3-69176.2000111.6V88 L90 L105 M112 L153 I155 Q159 N160 D161 L164V88-L157 HydrophobicContact CB-CD2 4.44Å; V88-L157 HydrophobicContact CG1-CD2 4.12Å; V88-L157 WeakPolarHBondContact O-CD2 3.28Å; L90-L157 HydrophobicContact CD2-CD1 4.24Å; L105-L157 HydrophobicContact CD1-CD1 3.75Å; L105-L157 HydrophobicContact CD1-CD2 4.05Å; L105-L157 HydrophobicContact CD1-CG 4.43Å; M112-L157 HydrophobicContact SD-CD1 4.16Å; L153-L157 HydrophobicContact CD1-CD1 4.23Å; L153-L157 HydrophobicContact CD1-CG 4.09Å; L153-L157 HydrophobicContact CD2-CD1 4.37Å; L153-L157 HydrophobicContact CG-CD1 3.86Å; L153-L157 HydrophobicContact CG-CG 4.15Å; L153-L157 WeakPolarHBondContact O-CB 3.38Å; L153-L157 VanDerWaalsContact O-CG 3.31Å; L153-L157 WeakPolarHBondContact O-CG 3.43Å; L153-L157 PolarHBondContact O-N 3.24Å; I155-L157 VanDerWaalsContact C-N 3.34Å; I155-L157 PolarHBondContact O-N 3.02Å; L157-Q159 PolarHBondContact O-N 2.75Å; L157-N160 PolarHBondContact O-N 3.11Å; L157-D161 WeakPolarHBondContact O-CA 3.17Å; L157-D161 VanDerWaalsContact O-CB 3.27Å; L157-D161 WeakPolarHBondContact O-CB 3.49Å; L157-D161 PolarHBondContact O-N 3.31Å; L157-L164 HydrophobicContact CB-CD1 3.59Å
158L96.8Very high95.6Very high15 Ų1526.3 Ų26.38%0.07915%0.145CC..Hα-helixtrans-61.3-34.8-176.9-179.358.2000112.3R154 I155 L164 L227 N228R154-L158 VanDerWaalsContact O-CB 3.24Å; R154-L158 WeakPolarHBondContact O-CB 3.12Å; R154-L158 PolarHBondContact O-N 3.31Å; I155-L158 PolarHBondContact O-N 3.4Å; L158-L164 HydrophobicContact CB-CD1 4.47Å; L158-L164 HydrophobicContact CD1-CB 3.87Å; L158-L227 HydrophobicContact CD1-CD2 4.11Å; L158-N228 HydrophobicContact CD2-CB 3.81Å
159Q97.5Very high95.6Very high0 Ų026.4 Ų26.40%015%0.145CC..THydrogen-bonded Turntrans-83-8176.876.2-169.118.900114.8G19 A84 I155 L156 L157 S231 N234 F235 I238G19-Q159 PolarHBondContact O-NE2 3.07Å; A84-Q159 PolarHBondContact O-NE2 3.27Å; I155-Q159 WeakPolarHBondContact O-CG 3.3Å; I155-Q159 PolarHBondContact O-N 3.38Å; L156-Q159 WeakPolarHBondContact O-CG 3.39Å; L157-Q159 PolarHBondContact O-N 2.75Å; Q159-S231 WeakPolarHBondContact CA-O 3.33Å; Q159-S231 VanDerWaalsContact CB-O 3.24Å; Q159-S231 WeakPolarHBondContact CB-O 3.42Å; Q159-N234 HydrophobicContact CB-CB 3.63Å; Q159-N234 HydrophobicContact CG-CB 4.27Å; Q159-N234 PolarHBondContact OE1-ND2 3.17Å; Q159-F235 WeakPolarHBondContact O-CA 3.38Å; Q159-F235 WeakPolarHBondContact O-CD2 3.27Å; Q159-I238 HydrophobicContact CB-CD1 4.48Å; Q159-I238 HydrophobicContact CG-CD1 4.16Å; Q159-I238 WeakPolarHBondContact O-CD1 3.47Å
160N98Very high95.7Very high5 Ų526.8 Ų26.83%0.02715%0.147CC..THydrogen-bonded Turntrans-121-29.7-176-78.3-81000114.4A84 V85 S86 R89 L156 L157 P162A84-N160 PolarHBondContact O-ND2 2.95Å; V85-N160 WeakPolarHBondContact CA-OD1 3.4Å; V85-N160 WeakPolarHBondContact CG1-OD1 3.43Å; S86-N160 PolarHBondContact N-OD1 3.49Å; S86-N160 PolarHBondContact O-OD1 2.85Å; R89-N160 PolarHBondContact NE-O 3.09Å; R89-N160 PolarHBondContact NH2-O 3.23Å; L156-N160 WeakPolarHBondContact O-CB 3.15Å; L156-N160 PolarHBondContact O-N 2.79Å; L156-N160 PolarHBondContact O-ND2 3.29Å; L157-N160 PolarHBondContact O-N 3.11Å; N160-P162 WeakPolarHBondContact O-CD 3.35Å
161D97.3Very high95.7Very high7 Ų728.8 Ų28.84%0.03716%0.159CC..  trans-98.4107.6-172-169.3-16.7000111.1R89 L90 L157 C163 L164R89-D161 WeakPolarHBondContact CA-OD2 3.44Å; R89-D161 WeakPolarHBondContact CD-OD1 3.09Å; L90-D161 PolarHBondContact N-OD2 3.4Å; L157-D161 WeakPolarHBondContact O-CA 3.17Å; L157-D161 VanDerWaalsContact O-CB 3.27Å; L157-D161 WeakPolarHBondContact O-CB 3.49Å; L157-D161 PolarHBondContact O-N 3.31Å; D161-C163 PolarHBondContact O-N 3.47Å; D161-C163 VanDerWaalsContact OD1-CB 3.3Å; D161-C163 WeakPolarHBondContact OD1-CB 2.98Å; D161-C163 PolarHBondContact OD1-N 2.67Å; D161-C163 PolarHBondContact OD1-SG 2.86Å; D161-C163 PolarHBondContact OD2-SG 3.44Å; D161-L164 HydrophobicContact CB-CD1 4.24Å; D161-L164 HydrophobicContact CB-CG 4.33Å; D161-L164 PolarHBondContact O-N 3.27Å
162P95.3Very high95.8Very high41 Ų4126.7 Ų26.727%0.26614%0.138SC..G310 helixtrans-61.6-21.1-179.8-18.230.3000112.7N160 L164 L165 V198 F235N160-P162 WeakPolarHBondContact O-CD 3.35Å; P162-L164 PolarHBondContact O-N 3.08Å; P162-L165 PolarHBondContact O-N 3.01Å; P162-V198 HydrophobicContact CB-CG1 3.86Å; P162-V198 VanDerWaalsContact CG-O 3.3Å; P162-V198 WeakPolarHBondContact CG-O 3.11Å; P162-F235 HydrophobicContact CB-CE2 4.34Å; P162-F235 HydrophobicContact CB-CZ 4.03Å; P162-F235 HydrophobicContact CG-CE2 4.19Å; P162-F235 HydrophobicContact CG-CZ 3.96Å
163C92.3Very high95.7Very high45 Ų4527.9 Ų27.930%0.30415%0.145SC..G310 helixtrans-62-39176.987.90000109.2R109 D161 L165R109-C163 PolarHBondContact NH1-O 3.21Å; R109-C163 PolarHBondContact NH2-O 3.33Å; D161-C163 PolarHBondContact O-N 3.47Å; D161-C163 VanDerWaalsContact OD1-CB 3.3Å; D161-C163 WeakPolarHBondContact OD1-CB 2.98Å; D161-C163 PolarHBondContact OD1-N 2.67Å; D161-C163 PolarHBondContact OD1-SG 2.86Å; D161-C163 PolarHBondContact OD2-SG 3.44Å; C163-L165 PolarHBondContact O-N 2.9Å
164L94.4Very high95.6Very high3 Ų333.6 Ų33.62%0.01617%0.17CC..G310 helixtrans-71.6-10.8-174.3-67.9176.6000115.1L90 R109 M112 L113 L157 L158 D161 P162L90-L164 HydrophobicContact CD1-CD2 3.68Å; L90-L164 HydrophobicContact CD1-CG 4.35Å; R109-L164 HydrophobicContact CG-CD2 3.97Å; M112-L164 HydrophobicContact CB-CD2 4.36Å; L113-L164 HydrophobicContact CD2-CB 4.49Å; L113-L164 HydrophobicContact CD2-CD2 4.13Å; L113-L164 HydrophobicContact CG-CD2 4.22Å; L157-L164 HydrophobicContact CB-CD1 3.59Å; L158-L164 HydrophobicContact CB-CD1 4.47Å; L158-L164 HydrophobicContact CD1-CB 3.87Å; D161-L164 HydrophobicContact CB-CD1 4.24Å; D161-L164 HydrophobicContact CB-CG 4.33Å; D161-L164 PolarHBondContact O-N 3.27Å; P162-L164 PolarHBondContact O-N 3.08Å
165L93.6Very high95.2Very high5 Ų531.8 Ų31.83%0.02617%0.17CC..SBendtrans-74.9162.3174.9-64.8-178.2000112.3R109 P162 C163 V198 V232 F235R109-L165 PolarHBondContact NH2-O 3.33Å; P162-L165 PolarHBondContact O-N 3.01Å; C163-L165 PolarHBondContact O-N 2.9Å; L165-V198 HydrophobicContact CD1-CG1 4.14Å; L165-V232 HydrophobicContact CD2-CG1 4.24Å; L165-V232 HydrophobicContact CD2-CG2 4.25Å; L165-F235 HydrophobicContact CD1-CD1 3.77Å; L165-F235 HydrophobicContact CD1-CD2 3.99Å; L165-F235 HydrophobicContact CD1-CE1 3.52Å; L165-F235 HydrophobicContact CD1-CE2 3.77Å; L165-F235 HydrophobicContact CD1-CG 4.01Å; L165-F235 HydrophobicContact CD1-CZ 3.53Å; L165-F235 HydrophobicContact CG-CD2 4.37Å; L165-F235 HydrophobicContact CG-CE2 4.29Å; L165-F235 HydrophobicContact CG-CZ 4.49Å
166P91.7Very high94.6Very high6 Ų636.9 Ų36.94%0.03919%0.193CC..PPolyproline II helixtrans-53.6152.1166.3-24.333.7000112.1V168 F191 L221 L222 L227P166-V168 PolarHBondContact O-N 2.8Å; P166-F191 HydrophobicContact CB-CD1 4.36Å; P166-F191 HydrophobicContact CB-CD2 3.99Å; P166-F191 HydrophobicContact CB-CE1 4.34Å; P166-F191 HydrophobicContact CB-CE2 4.03Å; P166-F191 HydrophobicContact CB-CG 4.2Å; P166-F191 HydrophobicContact CB-CZ 4.22Å; P166-F191 VanDerWaalsContact CD-CE2 3.48Å; P166-F191 HydrophobicContact CG-CD2 4.22Å; P166-F191 HydrophobicContact CG-CE1 4.09Å; P166-F191 HydrophobicContact CG-CE2 3.72Å; P166-F191 HydrophobicContact CG-CZ 3.67Å; P166-L221 HydrophobicContact CB-CD2 4.38Å; P166-L222 HydrophobicContact CG-CD2 3.94Å; P166-L227 HydrophobicContact CG-CD1 3.61Å
167E92.8Very high94.2Very high112 Ų11239.9 Ų39.952%0.52322%0.218SC..PPolyproline II helixtrans-62.6132.8-179.4-163.3-167.3155.600111.1K190 F191E167-K190 HydrophobicContact CB-CD 4.46Å; E167-K190 HydrophobicContact CB-CG 4.47Å; E167-K190 HydrophobicContact CG-CD 4.39Å; E167-K190 CarbonylContact O-C 3.57Å; E167-K190 WeakPolarHBondContact O-CA 3.31Å; E167-K190 WeakPolarHBondContact O-CB 3.46Å; E167-K190 IonicContact OE1-NZ 3.74Å; E167-K190 PolarHBondContact OE1-NZ 3.11Å; E167-K190 WeakPolarHBondContact OE2-CE 3.42Å; E167-K190 IonicContact OE2-NZ 2.65Å; E167-K190 PolarHBondContact OE2-NZ 3.1Å; E167-F191 PolarHBondContact O-N 3.36Å
168V94.8Very high93.7Very high18 Ų1846.5 Ų46.511%0.10925%0.252CS..BIsolated β-bridgetrans-76.8131.5172.9177.30000109.9P166 L170 N173 F191 V193 K195 V198P166-V168 PolarHBondContact O-N 2.8Å; V168-L170 PolarHBondContact O-N 2.9Å; V168-L170 VanDerWaalsContact O-N 3.15Å; V168-N173 WeakPolarHBondContact CG1-ND2 3.46Å; V168-F191 HydrophobicContact CG2-CB 4.4Å; V168-V193 HydrophobicContact CG1-CG2 4.28Å; V168-V193 WeakPolarHBondContact CG1-O 3.26Å; V168-V193 HydrophobicContact CG2-CG2 3.95Å; V168-K195 HydrophobicContact CG1-CB 4.06Å; V168-V198 HydrophobicContact CG2-CG1 4.46Å; V168-V198 HydrophobicContact CG2-CG2 4.27Å
169C95.3Very high93.5Very high5 Ų548.4 Ų48.43%0.03426%0.259CS..  trans-67.1113.1177.5-174.90000110.7L171 Y172 N173 K190 F191 H192C169-L171 VanDerWaalsContact C-N 3.33Å; C169-Y172 WeakPolarHBondContact O-CB 3.44Å; C169-Y172 PolarHBondContact O-N 3.35Å; C169-Y172 PolarHBondContact SG-N 3.39Å; C169-N173 PolarHBondContact O-N 2.96Å; C169-N173 PolarHBondContact O-ND2 3.45Å; C169-K190 HydrophobicContact CB-CB 3.71Å; C169-F191 PolarHBondContact N-O 3.04Å; C169-H192 VanDerWaalsContact CB-CD2 3.45Å; C169-H192 WeakPolarHBondContact CB-CD2 3.03Å
170L95.9Very high93.3Very high86 Ų8649 Ų4945%0.4527%0.265SS..THydrogen-bonded Turntrans-70.8-30.3178.7-60.3-177.3000112.6V168 N173 K174 K195V168-L170 PolarHBondContact O-N 2.9Å; V168-L170 VanDerWaalsContact O-N 3.15Å; L170-N173 CarbonylContact O-C 3.45Å; L170-N173 PolarHBondContact O-N 2.78Å; L170-K174 WeakPolarHBondContact O-CG 3.29Å; L170-K174 PolarHBondContact O-N 2.98Å; L170-K195 HydrophobicContact CD2-CD 3.92Å
171L96.8Very high93.2Very high89 Ų8955.7 Ų55.747%0.46629%0.291SS..THydrogen-bonded Turntrans-70.6-38.4176.1-64.8179.3000111.4C169 N173 K174 Y181 C182C169-L171 VanDerWaalsContact C-N 3.33Å; L171-N173 VanDerWaalsContact C-N 3.29Å; L171-N173 PolarHBondContact O-N 3.3Å; L171-K174 PolarHBondContact O-N 2.87Å; L171-Y181 PolarHBondContact O-N 3.05Å; L171-C182 HydrophobicContact CB-CB 4.13Å
172Y95.4Very high93.1Very high15 Ų1555.7 Ų55.76%0.05929%0.291CS..THydrogen-bonded Turntrans-53.7-52.8168.2172.4-102.6000108.6C169 K174 L178 Y179 G180 H192 R209 S210C169-Y172 WeakPolarHBondContact O-CB 3.44Å; C169-Y172 PolarHBondContact O-N 3.35Å; C169-Y172 PolarHBondContact SG-N 3.39Å; Y172-K174 PolarHBondContact O-N 3.33Å; Y172-L178 WeakPolarHBondContact CE2-O 3.46Å; Y172-Y179 WeakPolarHBondContact CA-O 3.41Å; Y172-G180 WeakPolarHBondContact O-CA 3.29Å; Y172-H192 HydrophobicContact CD1-CB 4.21Å; Y172-H192 HydrophobicContact CD2-CB 3.76Å; Y172-H192 AromaticContact CD2-CG 3.74Å; Y172-H192 HydrophobicContact CE1-CB 4.39Å; Y172-H192 HydrophobicContact CE2-CB 3.93Å; Y172-H192 HydrophobicContact CG-CB 3.91Å; Y172-H192 AromaticContact CG-CD2 3.9Å; Y172-H192 AromaticContact CG-CG 3.91Å; Y172-R209 HydrophobicContact CE1-CB 4.18Å; Y172-R209 PolarHBondContact O-NH1 3.16Å; Y172-R209 PolarHBondContact O-NH2 3.4Å; Y172-S210 PolarHBondContact OH-N 3.41Å
173N95.7Very high93.1Very high40 Ų4061 Ų6121%0.21432%0.317CS..THydrogen-bonded Turntrans-65.89.5-179.2-76.8-91.1000116.6V168 C169 L170 L171 V193 K195V168-N173 WeakPolarHBondContact CG1-ND2 3.46Å; C169-N173 PolarHBondContact O-N 2.96Å; C169-N173 PolarHBondContact O-ND2 3.45Å; L170-N173 CarbonylContact O-C 3.45Å; L170-N173 PolarHBondContact O-N 2.78Å; L171-N173 VanDerWaalsContact C-N 3.29Å; L171-N173 PolarHBondContact O-N 3.3Å; N173-V193 PolarHBondContact ND2-O 3.19Å; N173-V193 PolarHBondContact OD1-O 2.76Å; N173-K195 PolarHBondContact OD1-N 2.91Å
174K94.6Very high93.2Very high123 Ų12363.8 Ų63.854%0.53533%0.329SS..SBendtrans-120143.2173.2-69.8179.5178.7-172.70111.5L170 L171 Y172 G180 Y181 R209L170-K174 WeakPolarHBondContact O-CG 3.29Å; L170-K174 PolarHBondContact O-N 2.98Å; L171-K174 PolarHBondContact O-N 2.87Å; Y172-K174 PolarHBondContact O-N 3.33Å; K174-G180 CarbonylContact O-C 3.36Å; K174-G180 WeakPolarHBondContact O-CA 3.4Å; K174-Y181 HydrophobicContact CB-CD2 3.71Å; K174-Y181 HydrophobicContact CB-CE2 4.08Å; K174-Y181 HydrophobicContact CB-CG 4.24Å; K174-Y181 HydrophobicContact CD-CD2 4.49Å; K174-Y181 PolarHBondContact O-N 2.99Å; K174-Y181 VanDerWaalsContact O-N 3.14Å; K174-R209 VanDerWaalsContact C-NH2 3.32Å; K174-R209 PolarHBondContact O-NH2 3.42Å
175G88.8Confident93Very high22 Ų2269.2 Ų69.223%0.22735%0.352CS..SBendtrans80172.1-179.700000114.2R209G175-R209 PolarHBondContact O-NH2 2.89Å
176E85Confident92.6Very high135 Ų13574.5 Ų74.563%0.63138%0.38SS*.SBendtrans-101.1-10.8-174.3-64.3-62.8127.200113.8K208E176-K208 WeakPolarHBondContact OE2-CD 3.33Å; E176-K208 WeakPolarHBondContact OE2-CE 3.41Å; E176-K208 IonicContact OE2-NZ 3.66Å; E176-K208 PolarHBondContact OE2-NZ 3.39Å
177A88.5Confident92.5Very high63 Ų6383.2 Ų83.252%0.52142%0.418SS..SBendtrans-66159.8179.100000112Y179 G180A177-Y179 PolarHBondContact O-N 3.01Å; A177-Y179 VanDerWaalsContact O-N 3.11Å; A177-G180 PolarHBondContact O-N 3.37Å
178L88.4Confident92.4Very high141 Ų14178.9 Ų78.974%0.73840%0.4SS*.THydrogen-bonded Turntrans-49-41.7-178.918062.8000113.8Y172Y172-L178 WeakPolarHBondContact CE2-O 3.46Å
179Y91.4Very high92.1Very high55 Ų5583.4 Ų83.422%0.21642%0.423CS..THydrogen-bonded Turntrans-10512.3177.5-67.5-81.1000113.3Y172 A177 Y181 C182 K185 D186 H192Y172-Y179 WeakPolarHBondContact CA-O 3.41Å; A177-Y179 PolarHBondContact O-N 3.01Å; A177-Y179 VanDerWaalsContact O-N 3.11Å; Y179-Y181 PolarHBondContact O-N 3.34Å; Y179-C182 VanDerWaalsContact O-CB 3.29Å; Y179-C182 WeakPolarHBondContact O-CB 3.36Å; Y179-C182 PolarHBondContact O-N 3.35Å; Y179-K185 HydrophobicContact CD1-CB 3.94Å; Y179-K185 HydrophobicContact CD1-CG 4.28Å; Y179-K185 HydrophobicContact CD2-CB 4.2Å; Y179-K185 HydrophobicContact CD2-CD 4.14Å; Y179-K185 HydrophobicContact CD2-CG 3.87Å; Y179-K185 HydrophobicContact CE1-CB 3.88Å; Y179-K185 HydrophobicContact CE2-CB 4.17Å; Y179-K185 HydrophobicContact CE2-CD 4.23Å; Y179-K185 HydrophobicContact CE2-CG 4.21Å; Y179-K185 HydrophobicContact CG-CB 4.07Å; Y179-K185 HydrophobicContact CG-CG 3.91Å; Y179-D186 VanDerWaalsContact CE1-OD1 3.31Å; Y179-D186 WeakPolarHBondContact CE1-OD1 3.39Å; Y179-D186 PolarHBondContact OH-OD1 3.45Å; Y179-D186 PolarHBondContact OH-OD2 3.15Å; Y179-D186 VanDerWaalsContact OH-OD2 3.05Å; Y179-H192 AromaticContact CD1-CE1 3.9Å; Y179-H192 AromaticContact CD1-ND1 3.66Å
180G93.6Very high92Very high12 Ų1286.4 Ų86.412%0.12444%0.436CS..THydrogen-bonded Turntrans53.7-129.7-16900000111.7Y172 K174 A177Y172-G180 WeakPolarHBondContact O-CA 3.29Å; K174-G180 CarbonylContact O-C 3.36Å; K174-G180 WeakPolarHBondContact O-CA 3.4Å; A177-G180 PolarHBondContact O-N 3.37Å
181Y95.9Very high91.8Very high147 Ų14782.5 Ų82.558%0.57642%0.415SS*.THydrogen-bonded Turntrans-95.512.6174.8-60.7-16.6000113.3L171 K174 Y179 N183L171-Y181 PolarHBondContact O-N 3.05Å; K174-Y181 HydrophobicContact CB-CD2 3.71Å; K174-Y181 HydrophobicContact CB-CE2 4.08Å; K174-Y181 HydrophobicContact CB-CG 4.24Å; K174-Y181 HydrophobicContact CD-CD2 4.49Å; K174-Y181 PolarHBondContact O-N 2.99Å; K174-Y181 VanDerWaalsContact O-N 3.14Å; Y179-Y181 PolarHBondContact O-N 3.34Å; Y181-N183 PolarHBondContact O-N 3.3Å
182C95.9Very high91.6Very high6 Ų679.6 Ų79.64%0.04140%0.399CS..  trans-80.4106178.8-172.50000111.3L171 Y179 L184 K185 H192L171-C182 HydrophobicContact CB-CB 4.13Å; Y179-C182 VanDerWaalsContact O-CB 3.29Å; Y179-C182 WeakPolarHBondContact O-CB 3.36Å; Y179-C182 PolarHBondContact O-N 3.35Å; C182-L184 VanDerWaalsContact C-N 3.25Å; C182-L184 PolarHBondContact O-N 3.45Å; C182-K185 PolarHBondContact O-N 3.36Å; C182-H192 PolarHBondContact SG-NE2 3.18Å
183N94.8Very high91.6Very high152 Ų15278.9 Ų78.981%0.81340%0.396SS*.THydrogen-bonded Turntrans-72.5-17.8178.2-62.3-30.6000113.6Y181 K185Y181-N183 PolarHBondContact O-N 3.3Å; N183-K185 VanDerWaalsContact C-N 3.34Å
184L93.1Very high91.6Very high105 Ų10577.2 Ų77.255%0.5539%0.388SS..THydrogen-bonded Turntrans-78.6-17.9179.9-62.7177.8000113C182 D186 K187 C188C182-L184 VanDerWaalsContact C-N 3.25Å; C182-L184 PolarHBondContact O-N 3.45Å; L184-D186 PolarHBondContact O-N 3.26Å; L184-K187 WeakPolarHBondContact O-CA 3.27Å; L184-K187 WeakPolarHBondContact O-CB 3.5Å; L184-K187 PolarHBondContact O-N 3.42Å; L184-C188 HydrophobicContact CB-CB 3.89Å
185K90.3Very high91.7Very high116 Ų11675.4 Ų75.450%0.50438%0.38SS..G310 helixtrans46.6-127.8179.3-55.4-178.5-176.9179.70111Y179 C182 N183 K187 C188 H192Y179-K185 HydrophobicContact CD1-CB 3.94Å; Y179-K185 HydrophobicContact CD1-CG 4.28Å; Y179-K185 HydrophobicContact CD2-CB 4.2Å; Y179-K185 HydrophobicContact CD2-CD 4.14Å; Y179-K185 HydrophobicContact CD2-CG 3.87Å; Y179-K185 HydrophobicContact CE1-CB 3.88Å; Y179-K185 HydrophobicContact CE2-CB 4.17Å; Y179-K185 HydrophobicContact CE2-CD 4.23Å; Y179-K185 HydrophobicContact CE2-CG 4.21Å; Y179-K185 HydrophobicContact CG-CB 4.07Å; Y179-K185 HydrophobicContact CG-CG 3.91Å; C182-K185 PolarHBondContact O-N 3.36Å; N183-K185 VanDerWaalsContact C-N 3.34Å; K185-K187 PolarHBondContact O-N 3.33Å; K185-K187 VanDerWaalsContact O-N 3.16Å; K185-C188 VanDerWaalsContact O-CB 3.27Å; K185-C188 WeakPolarHBondContact O-CB 3.21Å; K185-C188 PolarHBondContact O-N 2.94Å; K185-H192 PolarHBondContact O-CE1 2.79Å
186D86.8Confident92.1Very high116 Ų11676.8 Ų76.862%0.6239%0.386SS*.G310 helixtrans-68.5-11.4-178.6-48.4-51000114.1Y179 L184 C188Y179-D186 VanDerWaalsContact CE1-OD1 3.31Å; Y179-D186 WeakPolarHBondContact CE1-OD1 3.39Å; Y179-D186 PolarHBondContact OH-OD1 3.45Å; Y179-D186 PolarHBondContact OH-OD2 3.15Å; Y179-D186 VanDerWaalsContact OH-OD2 3.05Å; L184-D186 PolarHBondContact O-N 3.26Å; D186-C188 VanDerWaalsContact C-N 3.31Å
187K88.3Confident92.7Very high190 Ų19070.5 Ų70.583%0.82636%0.356SS*.G310 helixtrans-87.4-0.1173.9-54.9-178.8-178.8179.60112.5L184 K185L184-K187 WeakPolarHBondContact O-CA 3.27Å; L184-K187 WeakPolarHBondContact O-CB 3.5Å; L184-K187 PolarHBondContact O-N 3.42Å; K185-K187 PolarHBondContact O-N 3.33Å; K185-K187 VanDerWaalsContact O-N 3.16Å
188C91Very high93.1Very high21 Ų2167.9 Ų67.914%0.14233%0.334CS..  trans-69.5132.8177-1650000110.5L184 K185 D186 K190 H192L184-C188 HydrophobicContact CB-CB 3.89Å; K185-C188 VanDerWaalsContact O-CB 3.27Å; K185-C188 WeakPolarHBondContact O-CB 3.21Å; K185-C188 PolarHBondContact O-N 2.94Å; D186-C188 VanDerWaalsContact C-N 3.31Å; C188-K190 PolarHBondContact O-N 2.81Å; C188-H192 VanDerWaalsContact CB-NE2 3.35Å; C188-H192 WeakPolarHBondContact CB-NE2 3.29Å
189N88.9Confident93.4Very high112 Ų11266.3 Ų66.360%0.59932%0.321SS*.SBendtrans-87.512.2176.766.3-12.1000113.5L221N189-L221 WeakPolarHBondContact O-CD1 3.42Å
190K91.9Very high93.5Very high68 Ų6865 Ų6530%0.29633%0.325SS..SBendtrans-115154.4177.9-64.3-170.7-176.6-164.40109.7E167 C169 C188 H192E167-K190 HydrophobicContact CB-CD 4.46Å; E167-K190 HydrophobicContact CB-CG 4.47Å; E167-K190 HydrophobicContact CG-CD 4.39Å; E167-K190 CarbonylContact O-C 3.57Å; E167-K190 WeakPolarHBondContact O-CA 3.31Å; E167-K190 WeakPolarHBondContact O-CB 3.46Å; E167-K190 IonicContact OE1-NZ 3.74Å; E167-K190 PolarHBondContact OE1-NZ 3.11Å; E167-K190 WeakPolarHBondContact OE2-CE 3.42Å; E167-K190 IonicContact OE2-NZ 2.65Å; E167-K190 PolarHBondContact OE2-NZ 3.1Å; C169-K190 HydrophobicContact CB-CB 3.71Å; C188-K190 PolarHBondContact O-N 2.81Å; K190-H192 PolarHBondContact O-N 2.89Å
191F91.8Very high93.7Very high5 Ų569.8 Ų69.82%0.02234%0.344CS..BIsolated β-bridgetrans-67.5121.9179.2-84.6-17.6000112.8P166 E167 V168 C169 V193 L213 L221 L222P166-F191 HydrophobicContact CB-CD1 4.36Å; P166-F191 HydrophobicContact CB-CD2 3.99Å; P166-F191 HydrophobicContact CB-CE1 4.34Å; P166-F191 HydrophobicContact CB-CE2 4.03Å; P166-F191 HydrophobicContact CB-CG 4.2Å; P166-F191 HydrophobicContact CB-CZ 4.22Å; P166-F191 VanDerWaalsContact CD-CE2 3.48Å; P166-F191 HydrophobicContact CG-CD2 4.22Å; P166-F191 HydrophobicContact CG-CE1 4.09Å; P166-F191 HydrophobicContact CG-CE2 3.72Å; P166-F191 HydrophobicContact CG-CZ 3.67Å; E167-F191 PolarHBondContact O-N 3.36Å; V168-F191 HydrophobicContact CG2-CB 4.4Å; C169-F191 PolarHBondContact N-O 3.04Å; F191-V193 VanDerWaalsContact C-N 3.28Å; F191-V193 HydrophobicContact CB-CG1 4.5Å; F191-V193 HydrophobicContact CB-CG2 3.91Å; F191-V193 PolarHBondContact O-N 3.18Å; F191-L213 HydrophobicContact CD2-CD2 4.39Å; F191-L213 HydrophobicContact CE2-CD2 4.28Å; F191-L221 HydrophobicContact CD1-CD2 3.59Å; F191-L221 HydrophobicContact CE1-CD2 3.77Å; F191-L222 HydrophobicContact CE1-CD2 4.32Å; F191-L222 HydrophobicContact CE1-CG 4.25Å; F191-L222 HydrophobicContact CE2-CD2 4.4Å; F191-L222 HydrophobicContact CZ-CD1 4.27Å; F191-L222 HydrophobicContact CZ-CD2 3.55Å; F191-L222 HydrophobicContact CZ-CG 3.85Å
192H93.5Very high93.7Very high28 Ų2863 Ų6313%0.1332%0.318CS..  trans-86.667.9169.3-74.4-175.6000110.5C169 Y172 Y179 C182 K185 C188 K190C169-H192 VanDerWaalsContact CB-CD2 3.45Å; C169-H192 WeakPolarHBondContact CB-CD2 3.03Å; Y172-H192 HydrophobicContact CD1-CB 4.21Å; Y172-H192 HydrophobicContact CD2-CB 3.76Å; Y172-H192 AromaticContact CD2-CG 3.74Å; Y172-H192 HydrophobicContact CE1-CB 4.39Å; Y172-H192 HydrophobicContact CE2-CB 3.93Å; Y172-H192 HydrophobicContact CG-CB 3.91Å; Y172-H192 AromaticContact CG-CD2 3.9Å; Y172-H192 AromaticContact CG-CG 3.91Å; Y179-H192 AromaticContact CD1-CE1 3.9Å; Y179-H192 AromaticContact CD1-ND1 3.66Å; C182-H192 PolarHBondContact SG-NE2 3.18Å; K185-H192 PolarHBondContact O-CE1 2.79Å; C188-H192 VanDerWaalsContact CB-NE2 3.35Å; C188-H192 WeakPolarHBondContact CB-NE2 3.29Å; K190-H192 PolarHBondContact O-N 2.89Å
193V95Very high93.7Very high0 Ų069.7 Ų69.70%035%0.346CS..SBendtrans-132.9161.2178.3-58.30000110.6V168 N173 F191 K195 V198 S210 L213V168-V193 HydrophobicContact CG1-CG2 4.28Å; V168-V193 WeakPolarHBondContact CG1-O 3.26Å; V168-V193 HydrophobicContact CG2-CG2 3.95Å; N173-V193 PolarHBondContact ND2-O 3.19Å; N173-V193 PolarHBondContact OD1-O 2.76Å; F191-V193 VanDerWaalsContact C-N 3.28Å; F191-V193 HydrophobicContact CB-CG1 4.5Å; F191-V193 HydrophobicContact CB-CG2 3.91Å; F191-V193 PolarHBondContact O-N 3.18Å; V193-K195 PolarHBondContact O-N 3.28Å; V193-V198 HydrophobicContact CG2-CG2 3.59Å; V193-S210 CarbonylContact C-O 3.57Å; V193-S210 VanDerWaalsContact CA-O 3.31Å; V193-S210 WeakPolarHBondContact CA-O 3.49Å; V193-L213 HydrophobicContact CB-CD2 4.3Å; V193-L213 HydrophobicContact CG1-CD2 4.04Å; V193-L213 HydrophobicContact CG2-CD2 3.95Å
194C96.4Very high93.5Very high5 Ų567.7 Ų67.73%0.03434%0.335CS..  trans-61.9115.7175.3-177.90000110.4S196 F197 V198 R209 S210 H211C194-S196 VanDerWaalsContact C-N 3.27Å; C194-S196 PolarHBondContact O-N 2.76Å; C194-F197 HydrophobicContact CB-CB 3.66Å; C194-F197 WeakPolarHBondContact O-CB 3.47Å; C194-F197 PolarHBondContact O-N 3.33Å; C194-F197 VanDerWaalsContact O-N 3.17Å; C194-F197 PolarHBondContact SG-N 2.9Å; C194-F197 VanDerWaalsContact SG-N 3.42Å; C194-V198 PolarHBondContact O-N 2.63Å; C194-V198 VanDerWaalsContact O-N 3.15Å; C194-R209 HydrophobicContact CB-CB 3.75Å; C194-S210 PolarHBondContact N-O 3.3Å; C194-H211 VanDerWaalsContact CB-CD2 3.43Å; C194-H211 WeakPolarHBondContact CB-CD2 3.33Å
195K96.5Very high93.2Very high85 Ų8567.4 Ų67.437%0.3733%0.331SS..Hα-helixtrans-59.2-40.3177.9-179.1-177.3177-177.60111.6V168 L170 N173 V193 F197 V198 K199V168-K195 HydrophobicContact CG1-CB 4.06Å; L170-K195 HydrophobicContact CD2-CD 3.92Å; N173-K195 PolarHBondContact OD1-N 2.91Å; V193-K195 PolarHBondContact O-N 3.28Å; K195-F197 VanDerWaalsContact C-N 3.33Å; K195-V198 PolarHBondContact O-N 3.35Å; K195-K199 WeakPolarHBondContact O-CG 3.32Å; K195-K199 PolarHBondContact O-N 3.39Å
196S96.9Very high93.1Very high51 Ų5168 Ų6836%0.35735%0.345SS..Hα-helixtrans-68.1-35179.5-52.90000111.4C194 K199 G200 E201 C202C194-S196 VanDerWaalsContact C-N 3.27Å; C194-S196 PolarHBondContact O-N 2.76Å; S196-K199 PolarHBondContact O-N 3.01Å; S196-G200 PolarHBondContact O-N 3.19Å; S196-G200 VanDerWaalsContact O-N 3.11Å; S196-E201 CarbonylContact O-C 3.53Å; S196-E201 WeakPolarHBondContact O-CA 3.24Å; S196-E201 PolarHBondContact O-N 3.15Å; S196-C202 PolarHBondContact O-N 2.81Å; S196-C202 VanDerWaalsContact O-N 3.17Å
197F97.5Very high93.4Very high2 Ų263.8 Ų63.81%0.00932%0.324CS..Hα-helixtrans-64.5-47.4176.1174.8-101.6000111.6C194 K195 K199 G200 C202 H211 L213 H243C194-F197 HydrophobicContact CB-CB 3.66Å; C194-F197 WeakPolarHBondContact O-CB 3.47Å; C194-F197 PolarHBondContact O-N 3.33Å; C194-F197 VanDerWaalsContact O-N 3.17Å; C194-F197 PolarHBondContact SG-N 2.9Å; C194-F197 VanDerWaalsContact SG-N 3.42Å; K195-F197 VanDerWaalsContact C-N 3.33Å; F197-K199 PolarHBondContact O-N 3.12Å; F197-K199 VanDerWaalsContact O-N 3.14Å; F197-G200 PolarHBondContact O-N 3.31Å; F197-C202 HydrophobicContact CB-CB 4.13Å; F197-H211 VanDerWaalsContact CB-CD2 3.47Å; F197-H211 WeakPolarHBondContact CB-CD2 3.44Å; F197-H211 HydrophobicContact CD1-CB 3.98Å; F197-H211 HydrophobicContact CD2-CB 3.91Å; F197-H211 AromaticContact CD2-CD2 3.85Å; F197-H211 AromaticContact CD2-CE1 3.87Å; F197-H211 AromaticContact CD2-CG 3.5Å; F197-H211 AromaticContact CD2-ND1 3.52Å; F197-H211 HydrophobicContact CE1-CB 3.98Å; F197-H211 WeakPolarHBondContact CE1-O 3.42Å; F197-H211 HydrophobicContact CE2-CB 3.91Å; F197-H211 AromaticContact CE2-CG 3.95Å; F197-H211 AromaticContact CE2-ND1 3.95Å; F197-H211 HydrophobicContact CG-CB 3.95Å; F197-H211 AromaticContact CG-CD2 3.59Å; F197-H211 AromaticContact CG-CG 3.62Å; F197-H211 HydrophobicContact CZ-CB 3.94Å; F197-L213 HydrophobicContact CE1-CD1 4.46Å; F197-H243 HydrophobicContact CD2-CB 4.03Å; F197-H243 HydrophobicContact CE2-CB 3.84Å
198V96.5Very high93.6Very high9 Ų962.3 Ų62.36%0.05532%0.317CS..Hα-helixtrans-58.4-28.8177.1170.50000112.1P162 L165 V168 V193 C194 K195 L213 F235P162-V198 HydrophobicContact CB-CG1 3.86Å; P162-V198 VanDerWaalsContact CG-O 3.3Å; P162-V198 WeakPolarHBondContact CG-O 3.11Å; L165-V198 HydrophobicContact CD1-CG1 4.14Å; V168-V198 HydrophobicContact CG2-CG1 4.46Å; V168-V198 HydrophobicContact CG2-CG2 4.27Å; V193-V198 HydrophobicContact CG2-CG2 3.59Å; C194-V198 PolarHBondContact O-N 2.63Å; C194-V198 VanDerWaalsContact O-N 3.15Å; K195-V198 PolarHBondContact O-N 3.35Å; V198-L213 HydrophobicContact CG2-CD2 3.85Å; V198-F235 HydrophobicContact CG1-CE1 4.42Å; V198-F235 HydrophobicContact CG1-CZ 4.28Å; V198-F235 WeakPolarHBondContact O-CZ 3.35Å
199K94.9Very high93.8Very high108 Ų10862.8 Ų62.847%0.4732%0.316SS..Hα-helixtrans-86.9-9.5174.9-69.3-177.6167.4-158.10114.6K195 S196 F197 E201K195-K199 WeakPolarHBondContact O-CG 3.32Å; K195-K199 PolarHBondContact O-N 3.39Å; S196-K199 PolarHBondContact O-N 3.01Å; F197-K199 PolarHBondContact O-N 3.12Å; F197-K199 VanDerWaalsContact O-N 3.14Å; K199-E201 VanDerWaalsContact C-N 3.34Å; K199-E201 HydrophobicContact CB-CB 4.33Å; K199-E201 HydrophobicContact CB-CG 3.96Å; K199-E201 WeakPolarHBondContact CD-OE2 3.38Å
200G94.8Very high94Very high28 Ų2859.2 Ų59.229%0.28930%0.3SS..THydrogen-bonded Turntrans74.522.4-171.600000114.1S196 F197S196-G200 PolarHBondContact O-N 3.19Å; S196-G200 VanDerWaalsContact O-N 3.11Å; F197-G200 PolarHBondContact O-N 3.31Å
201E96.1Very high94.1Very high111 Ų11157.8 Ų57.852%0.51929%0.294SS..  trans-115.34-173.7-63.7169-17900112.7S196 K199 K203S196-E201 CarbonylContact O-C 3.53Å; S196-E201 WeakPolarHBondContact O-CA 3.24Å; S196-E201 PolarHBondContact O-N 3.15Å; K199-E201 VanDerWaalsContact C-N 3.34Å; K199-E201 HydrophobicContact CB-CB 4.33Å; K199-E201 HydrophobicContact CB-CG 3.96Å; K199-E201 WeakPolarHBondContact CD-OE2 3.38Å; E201-K203 PolarHBondContact O-N 3.17Å
202C96.8Very high94.2Very high4 Ų461.1 Ų61.13%0.02731%0.31CS..  trans-71.1113.8179.4-170.40000110.5S196 F197 H243 L246 H247S196-C202 PolarHBondContact O-N 2.81Å; S196-C202 VanDerWaalsContact O-N 3.17Å; F197-C202 HydrophobicContact CB-CB 4.13Å; C202-H243 PolarHBondContact O-ND1 3.17Å; C202-L246 WeakPolarHBondContact O-CD2 3.39Å; C202-H247 PolarHBondContact O-NE2 2.59Å
203K95Very high94.2Very high148 Ų14859.8 Ų59.864%0.64330%0.304SS*.  trans-98.17.3179.6-55.4-176.9-178.3-176.40113.7E201 L246 H247 L250E201-K203 PolarHBondContact O-N 3.17Å; K203-L246 HydrophobicContact CG-CD2 4.38Å; K203-H247 PolarHBondContact O-CE1 3.29Å; K203-L250 HydrophobicContact CB-CD1 4.02Å; K203-L250 HydrophobicContact CG-CD1 4.21Å
204L91.9Very high94Very high109 Ų10959.9 Ų59.957%0.57130%0.304SS*.  trans-98.6116.6-177.8-62177.9000110.1T206 C207 H247L204-T206 VanDerWaalsContact C-N 3.34Å; L204-T206 PolarHBondContact O-N 3.5Å; L204-C207 HydrophobicContact CB-CB 4.06Å; L204-C207 PolarHBondContact O-N 3.41Å; L204-H247 PolarHBondContact O-NE2 3.23Å
205Q86.1Confident93.5Very high100 Ų10062 Ų6247%0.46731%0.314SS..THydrogen-bonded Turntrans-59.9-47.8178.4-68.9-73.43.900110.6H247 E251Q205-H247 VanDerWaalsContact CD-CG 3.4Å; Q205-H247 WeakPolarHBondContact CG-ND1 3.41Å; Q205-H247 PolarHBondContact N-CE1 3.08Å; Q205-H247 VanDerWaalsContact NE2-CB 3.35Å; Q205-H247 VanDerWaalsContact NE2-CG 3.33Å; Q205-H247 PolarHBondContact NE2-ND1 2.96Å; Q205-H247 PolarHBondContact OE1-ND1 2.81Å; Q205-E251 PolarHBondContact NE2-OE1 3.3Å
206T89.4Confident92.8Very high129 Ų12961.8 Ų61.879%0.79133%0.328SS*.THydrogen-bonded Turntrans-106.565.4176.6490000109.4L204 K208L204-T206 VanDerWaalsContact C-N 3.34Å; L204-T206 PolarHBondContact O-N 3.5Å; T206-K208 PolarHBondContact O-N 2.82Å
207C92.8Very high92.1Very high27 Ų2762.1 Ų62.118%0.18233%0.333CS..  trans-63.1124.1177.3-165.10000110.4L204 R209 H211L204-C207 HydrophobicContact CB-CB 4.06Å; L204-C207 PolarHBondContact O-N 3.41Å; C207-R209 PolarHBondContact O-N 3.41Å; C207-R209 VanDerWaalsContact O-N 3.11Å; C207-H211 VanDerWaalsContact CB-CE1 3.46Å; C207-H211 WeakPolarHBondContact CB-CE1 3.19Å; C207-H211 VanDerWaalsContact CB-NE2 3.29Å; C207-H211 WeakPolarHBondContact CB-NE2 3.49Å; C207-H211 PolarHBondContact SG-NE2 3.14Å
208K92.2Very high91.5Very high158 Ų15862.2 Ų62.269%0.68733%0.334SS*.SBendtrans-68.6-6.4175.8-61.6-178.1-176179.70113.5E176 T206E176-K208 WeakPolarHBondContact OE2-CD 3.33Å; E176-K208 WeakPolarHBondContact OE2-CE 3.41Å; E176-K208 IonicContact OE2-NZ 3.66Å; E176-K208 PolarHBondContact OE2-NZ 3.39Å; T206-K208 PolarHBondContact O-N 2.82Å
209R94.4Very high91.2Very high31 Ų3163.3 Ų63.312%0.11734%0.339CS..SBendtrans-106.7143.7-174.9-50.7-38.1-155.581.5-5.6109.1Y172 K174 G175 C194 C207 H211Y172-R209 HydrophobicContact CE1-CB 4.18Å; Y172-R209 PolarHBondContact O-NH1 3.16Å; Y172-R209 PolarHBondContact O-NH2 3.4Å; K174-R209 VanDerWaalsContact C-NH2 3.32Å; K174-R209 PolarHBondContact O-NH2 3.42Å; G175-R209 PolarHBondContact O-NH2 2.89Å; C194-R209 HydrophobicContact CB-CB 3.75Å; C207-R209 PolarHBondContact O-N 3.41Å; C207-R209 VanDerWaalsContact O-N 3.11Å; R209-H211 PolarHBondContact O-CD2 2.88Å; R209-H211 PolarHBondContact O-N 3.07Å
210S93.6Very high90.8Very high38 Ų3864.5 Ų64.527%0.26635%0.345SS..  trans-60.5130.9-176.6-179.40000111.3Y172 V193 C194 Q212Y172-S210 PolarHBondContact OH-N 3.41Å; V193-S210 CarbonylContact C-O 3.57Å; V193-S210 VanDerWaalsContact CA-O 3.31Å; V193-S210 WeakPolarHBondContact CA-O 3.49Å; C194-S210 PolarHBondContact N-O 3.3Å; S210-Q212 PolarHBondContact OG-N 3.05Å; S210-Q212 VanDerWaalsContact OG-N 3.08Å
211H95.1Very high90.5Very high38 Ų3864.5 Ų64.518%0.17634%0.338CS..  trans-98.37.6168.2-69.1178.9000111.6C194 F197 C207 R209 Q236 H243C194-H211 VanDerWaalsContact CB-CD2 3.43Å; C194-H211 WeakPolarHBondContact CB-CD2 3.33Å; F197-H211 VanDerWaalsContact CB-CD2 3.47Å; F197-H211 WeakPolarHBondContact CB-CD2 3.44Å; F197-H211 HydrophobicContact CD1-CB 3.98Å; F197-H211 HydrophobicContact CD2-CB 3.91Å; F197-H211 AromaticContact CD2-CD2 3.85Å; F197-H211 AromaticContact CD2-CE1 3.87Å; F197-H211 AromaticContact CD2-CG 3.5Å; F197-H211 AromaticContact CD2-ND1 3.52Å; F197-H211 HydrophobicContact CE1-CB 3.98Å; F197-H211 WeakPolarHBondContact CE1-O 3.42Å; F197-H211 HydrophobicContact CE2-CB 3.91Å; F197-H211 AromaticContact CE2-CG 3.95Å; F197-H211 AromaticContact CE2-ND1 3.95Å; F197-H211 HydrophobicContact CG-CB 3.95Å; F197-H211 AromaticContact CG-CD2 3.59Å; F197-H211 AromaticContact CG-CG 3.62Å; F197-H211 HydrophobicContact CZ-CB 3.94Å; C207-H211 VanDerWaalsContact CB-CE1 3.46Å; C207-H211 WeakPolarHBondContact CB-CE1 3.19Å; C207-H211 VanDerWaalsContact CB-NE2 3.29Å; C207-H211 WeakPolarHBondContact CB-NE2 3.49Å; C207-H211 PolarHBondContact SG-NE2 3.14Å; R209-H211 PolarHBondContact O-CD2 2.88Å; R209-H211 PolarHBondContact O-N 3.07Å; H211-Q236 PolarHBondContact O-NE2 3.05Å; H211-Q236 PolarHBondContact O-OE1 3.3Å; H211-H243 AromaticContact CE1-CD2 3.95Å; H211-H243 AromaticContact CE1-CE1 3.48Å; H211-H243 PolarHBondContact CE1-CE1 3.27Å; H211-H243 VanDerWaalsContact CE1-CE1 3.48Å; H211-H243 AromaticContact CE1-NE2 3.27Å; H211-H243 PolarHBondContact CE1-NE2 3.28Å; H211-H243 VanDerWaalsContact CE1-NE2 3.27Å; H211-H243 AromaticContact ND1-CD2 3.76Å; H211-H243 AromaticContact ND1-NE2 3.46Å; H211-H243 PolarHBondContact ND1-NE2 3.28Å
212Q93.4Very high90.3Very high75 Ų7559.2 Ų59.235%0.3531%0.313SS..  trans-97.9102.9-174.8-173.6174.6600111.2E64 S210 I214 H215E64-Q212 PolarHBondContact OE1-NE2 3.45Å; S210-Q212 PolarHBondContact OG-N 3.05Å; S210-Q212 VanDerWaalsContact OG-N 3.08Å; Q212-I214 WeakPolarHBondContact CG-O 3.3Å; Q212-I214 PolarHBondContact NE2-O 2.63Å; Q212-H215 HydrophobicContact CG-CB 4.28Å; Q212-H215 PolarHBondContact O-ND1 3.38Å
213L92.8Very high90Very high0 Ų065 Ų650%034%0.34CS..SBendtrans-77.5-24.2177.4-62.1167000112.7F191 V193 F197 V198 S218 V232 F235 Q236F191-L213 HydrophobicContact CD2-CD2 4.39Å; F191-L213 HydrophobicContact CE2-CD2 4.28Å; V193-L213 HydrophobicContact CB-CD2 4.3Å; V193-L213 HydrophobicContact CG1-CD2 4.04Å; V193-L213 HydrophobicContact CG2-CD2 3.95Å; F197-L213 HydrophobicContact CE1-CD1 4.46Å; V198-L213 HydrophobicContact CG2-CD2 3.85Å; L213-S218 VanDerWaalsContact O-CB 3.31Å; L213-S218 WeakPolarHBondContact O-CB 3.49Å; L213-S218 PolarHBondContact O-OG 3.48Å; L213-V232 HydrophobicContact CB-CG1 4.45Å; L213-F235 HydrophobicContact CD1-CD1 3.36Å; L213-F235 HydrophobicContact CD1-CE1 3.81Å; L213-F235 HydrophobicContact CD1-CG 4.44Å; L213-Q236 HydrophobicContact CD1-CB 4.4Å
214I90.8Very high89.6Confident1 Ų163.7 Ų63.71%0.00534%0.34CS..  trans-114.4104.7-178.8-52.8-62.1000108.8A63 E64 A67 Q212 L219 L222 V232 V233A63-I214 HydrophobicContact CB-CG2 3.99Å; E64-I214 HydrophobicContact CB-CG2 4.28Å; A67-I214 HydrophobicContact CB-CB 4.47Å; A67-I214 HydrophobicContact CB-CG1 4.47Å; Q212-I214 WeakPolarHBondContact CG-O 3.3Å; Q212-I214 PolarHBondContact NE2-O 2.63Å; I214-L219 HydrophobicContact CG2-CD1 4.24Å; I214-L219 HydrophobicContact CG2-CD2 3.91Å; I214-L219 HydrophobicContact CG2-CG 4.05Å; I214-L222 HydrophobicContact CD1-CD1 3.74Å; I214-V232 HydrophobicContact CD1-CB 3.9Å; I214-V232 HydrophobicContact CD1-CG1 3.55Å; I214-V233 HydrophobicContact CD1-CG2 4.23Å; I214-V233 HydrophobicContact CG1-CG2 4.06Å
215H85.9Confident89.4Confident51 Ų5161.1 Ų61.124%0.23633%0.325CS..SBendtrans-151.3168.3170.463.1-89.5000108.5E64 Q212 A217 S218 L219E64-H215 WeakPolarHBondContact OE2-CA 3.39Å; Q212-H215 HydrophobicContact CG-CB 4.28Å; Q212-H215 PolarHBondContact O-ND1 3.38Å; H215-A217 VanDerWaalsContact C-N 3.34Å; H215-A217 PolarHBondContact CD2-N 3.33Å; H215-A217 PolarHBondContact O-N 3.15Å; H215-A217 VanDerWaalsContact O-N 3.12Å; H215-S218 VanDerWaalsContact CE1-CB 3.46Å; H215-S218 WeakPolarHBondContact CE1-CB 3.44Å; H215-S218 PolarHBondContact N-OG 2.8Å; H215-S218 PolarHBondContact ND1-OG 3.46Å; H215-S218 PolarHBondContact NE2-N 3.48Å; H215-S218 PolarHBondContact O-N 2.87Å; H215-S218 PolarHBondContact O-OG 3.11Å; H215-S218 VanDerWaalsContact O-OG 3.05Å; H215-L219 WeakPolarHBondContact O-CB 3.35Å; H215-L219 WeakPolarHBondContact O-CG 3.33Å; H215-L219 PolarHBondContact O-N 2.99Å
216A83.2Confident89.6Confident80 Ų8059.3 Ų59.366%0.66133%0.333SS*.Hα-helixtrans-46.3-48.5-173.600000115.2K220A216-K220 PolarHBondContact O-N 3.49Å
217A81.4Confident89.8Confident57 Ų5754 Ų5447%0.47130%0.3SS..Hα-helixtrans-71.8-38.8-179.600000113.3H215 L221H215-A217 VanDerWaalsContact C-N 3.34Å; H215-A217 PolarHBondContact CD2-N 3.33Å; H215-A217 PolarHBondContact O-N 3.15Å; H215-A217 VanDerWaalsContact O-N 3.12Å; A217-L221 PolarHBondContact O-N 2.89Å
218S85.4Confident89.8Confident5 Ų555.7 Ų55.74%0.03531%0.307CS..Hα-helixtrans-71.8-31.7176.867.20000112.6L213 H215 K220 L221 L222L213-S218 VanDerWaalsContact O-CB 3.31Å; L213-S218 WeakPolarHBondContact O-CB 3.49Å; L213-S218 PolarHBondContact O-OG 3.48Å; H215-S218 VanDerWaalsContact CE1-CB 3.46Å; H215-S218 WeakPolarHBondContact CE1-CB 3.44Å; H215-S218 PolarHBondContact N-OG 2.8Å; H215-S218 PolarHBondContact ND1-OG 3.46Å; H215-S218 PolarHBondContact NE2-N 3.48Å; H215-S218 PolarHBondContact O-N 2.87Å; H215-S218 PolarHBondContact O-OG 3.11Å; H215-S218 VanDerWaalsContact O-OG 3.05Å; S218-K220 PolarHBondContact O-N 3.4Å; S218-L221 PolarHBondContact O-N 3.02Å; S218-L222 WeakPolarHBondContact O-CB 3.3Å; S218-L222 WeakPolarHBondContact O-CG 3.3Å; S218-L222 PolarHBondContact O-N 3.27Å
219L88.8Confident89.9Confident31 Ų3149.7 Ų49.716%0.16228%0.282CS..Hα-helixtrans-58.9-46.3175.4-82.7169.6000111.6A63 I214 H215 L221 L222 Q223 I229A63-L219 HydrophobicContact CB-CD2 4.46Å; I214-L219 HydrophobicContact CG2-CD1 4.24Å; I214-L219 HydrophobicContact CG2-CD2 3.91Å; I214-L219 HydrophobicContact CG2-CG 4.05Å; H215-L219 WeakPolarHBondContact O-CB 3.35Å; H215-L219 WeakPolarHBondContact O-CG 3.33Å; H215-L219 PolarHBondContact O-N 2.99Å; L219-L221 PolarHBondContact O-N 3.23Å; L219-L222 PolarHBondContact O-N 3.17Å; L219-Q223 WeakPolarHBondContact O-CB 3.31Å; L219-Q223 VanDerWaalsContact O-CG 3.29Å; L219-Q223 WeakPolarHBondContact O-CG 3.31Å; L219-Q223 PolarHBondContact O-N 3.48Å; L219-I229 HydrophobicContact CD2-CD1 4.48Å; L219-I229 HydrophobicContact CD2-CG2 3.88Å
220K86.8Confident89.9Confident134 Ų13451 Ų5158%0.58330%0.295SS*.Hα-helixtrans-59.4-46.9174.9-174.3175.3-179.6177.40111.6A216 S218 L222 Q223 D224A216-K220 PolarHBondContact O-N 3.49Å; S218-K220 PolarHBondContact O-N 3.4Å; K220-L222 VanDerWaalsContact C-N 3.32Å; K220-L222 PolarHBondContact O-N 3.31Å; K220-Q223 PolarHBondContact O-N 3.49Å; K220-D224 WeakPolarHBondContact O-CB 3.46Å; K220-D224 PolarHBondContact O-N 3.16Å
221L88.2Confident90Very high27 Ų2749.1 Ų49.114%0.14128%0.282CS..Hα-helixtrans-60.1-41177.3-17966.5000112.3P166 N189 F191 A217 S218 L219 Q225P166-L221 HydrophobicContact CB-CD2 4.38Å; N189-L221 WeakPolarHBondContact O-CD1 3.42Å; F191-L221 HydrophobicContact CD1-CD2 3.59Å; F191-L221 HydrophobicContact CE1-CD2 3.77Å; A217-L221 PolarHBondContact O-N 2.89Å; S218-L221 PolarHBondContact O-N 3.02Å; L219-L221 PolarHBondContact O-N 3.23Å; L221-Q225 WeakPolarHBondContact O-CB 3.43Å; L221-Q225 VanDerWaalsContact O-CG 3.29Å; L221-Q225 WeakPolarHBondContact O-CG 3.46Å; L221-Q225 PolarHBondContact O-N 3.31Å; L221-Q225 VanDerWaalsContact O-N 3.12Å
222L91.6Very high90.1Very high0 Ų047.3 Ų47.30%027%0.274CS..Hα-helixtrans-65.4-42.7178-73169.5000111.7P166 F191 I214 S218 L219 K220 Q225 G226 L227 I229 V232P166-L222 HydrophobicContact CG-CD2 3.94Å; F191-L222 HydrophobicContact CE1-CD2 4.32Å; F191-L222 HydrophobicContact CE1-CG 4.25Å; F191-L222 HydrophobicContact CE2-CD2 4.4Å; F191-L222 HydrophobicContact CZ-CD1 4.27Å; F191-L222 HydrophobicContact CZ-CD2 3.55Å; F191-L222 HydrophobicContact CZ-CG 3.85Å; I214-L222 HydrophobicContact CD1-CD1 3.74Å; S218-L222 WeakPolarHBondContact O-CB 3.3Å; S218-L222 WeakPolarHBondContact O-CG 3.3Å; S218-L222 PolarHBondContact O-N 3.27Å; L219-L222 PolarHBondContact O-N 3.17Å; K220-L222 VanDerWaalsContact C-N 3.32Å; K220-L222 PolarHBondContact O-N 3.31Å; L222-Q225 CarbonylContact O-C 3.52Å; L222-Q225 PolarHBondContact O-N 3.2Å; L222-G226 PolarHBondContact O-N 2.95Å; L222-L227 HydrophobicContact CD2-CB 4.19Å; L222-L227 HydrophobicContact CD2-CD1 3.42Å; L222-L227 VanDerWaalsContact CD2-CD1 3.42Å; L222-L227 HydrophobicContact CD2-CG 4.44Å; L222-L227 PolarHBondContact O-N 3.13Å; L222-I229 HydrophobicContact CB-CD1 3.42Å; L222-I229 VanDerWaalsContact CB-CD1 3.42Å; L222-I229 HydrophobicContact CD1-CD1 4.12Å; L222-I229 HydrophobicContact CG-CD1 4.37Å; L222-V232 HydrophobicContact CD1-CB 4.32Å; L222-V232 HydrophobicContact CD1-CG1 3.92Å; L222-V232 HydrophobicContact CD1-CG2 4.42Å; L222-V232 HydrophobicContact CD2-CG1 4.25Å; L222-V232 HydrophobicContact CD2-CG2 3.93Å
223Q90.5Very high90.2Very high126 Ų12643.8 Ų43.859%0.58926%0.257SS*.Hα-helixtrans-65.9-46.9176.8-73.3172.1-23.200111.8L219 K220 Q225 G226 I229L219-Q223 WeakPolarHBondContact O-CB 3.31Å; L219-Q223 VanDerWaalsContact O-CG 3.29Å; L219-Q223 WeakPolarHBondContact O-CG 3.31Å; L219-Q223 PolarHBondContact O-N 3.48Å; K220-Q223 PolarHBondContact O-N 3.49Å; Q223-Q225 PolarHBondContact O-N 3.37Å; Q223-G226 WeakPolarHBondContact O-CA 3.29Å; Q223-G226 PolarHBondContact O-N 3.15Å; Q223-I229 HydrophobicContact CG-CD1 4.26Å
224D87.9Confident90.5Very high120 Ų12043.8 Ų43.864%0.64226%0.257SS*.Hα-helixtrans-59.5-29.9176.3-70.1-15.2000111.4K220K220-D224 WeakPolarHBondContact O-CB 3.46Å; K220-D224 PolarHBondContact O-N 3.16Å
225Q88.1Confident90.8Very high55 Ų5544 Ų4426%0.25726%0.258SS..THydrogen-bonded Turntrans-87.61.6174.5-69.5-168.825.300114.1K115 L221 L222 Q223 L227K115-Q225 WeakPolarHBondContact CE-O 3.47Å; K115-Q225 PolarHBondContact NZ-O 3.4Å; L221-Q225 WeakPolarHBondContact O-CB 3.43Å; L221-Q225 VanDerWaalsContact O-CG 3.29Å; L221-Q225 WeakPolarHBondContact O-CG 3.46Å; L221-Q225 PolarHBondContact O-N 3.31Å; L221-Q225 VanDerWaalsContact O-N 3.12Å; L222-Q225 CarbonylContact O-C 3.52Å; L222-Q225 PolarHBondContact O-N 3.2Å; Q223-Q225 PolarHBondContact O-N 3.37Å; Q225-L227 VanDerWaalsContact C-N 3.26Å; Q225-L227 HydrophobicContact CB-CD1 4.31Å; Q225-L227 HydrophobicContact CB-CG 4.25Å; Q225-L227 PolarHBondContact O-N 2.85Å
226G90.1Very high91.4Very high63 Ų6342.3 Ų42.365%0.64925%0.25SS*.THydrogen-bonded Turntrans62.728.6178.900000114L222 Q223L222-G226 PolarHBondContact O-N 2.95Å; Q223-G226 WeakPolarHBondContact O-CA 3.29Å; Q223-G226 PolarHBondContact O-N 3.15Å
227L92.3Very high92Very high16 Ų1638.7 Ų38.78%0.08422%0.22CC..  trans-79.7146.2179.8-71172000111.5L113 L158 P166 L222 Q225 I229L113-L227 HydrophobicContact CD2-CD2 3.73Å; L158-L227 HydrophobicContact CD1-CD2 4.11Å; P166-L227 HydrophobicContact CG-CD1 3.61Å; L222-L227 HydrophobicContact CD2-CB 4.19Å; L222-L227 HydrophobicContact CD2-CD1 3.42Å; L222-L227 VanDerWaalsContact CD2-CD1 3.42Å; L222-L227 HydrophobicContact CD2-CG 4.44Å; L222-L227 PolarHBondContact O-N 3.13Å; Q225-L227 VanDerWaalsContact C-N 3.26Å; Q225-L227 HydrophobicContact CB-CD1 4.31Å; Q225-L227 HydrophobicContact CB-CG 4.25Å; Q225-L227 PolarHBondContact O-N 2.85Å; L227-I229 PolarHBondContact O-N 3.29Å
228N93.3Very high92.8Very high64 Ų6436.1 Ų36.134%0.34220%0.198SC..  trans-71.7100.4174.1-179.2-88.4000109.6L158 P230 S231 V232L158-N228 HydrophobicContact CD2-CB 3.81Å; N228-P230 WeakPolarHBondContact OD1-CD 3.34Å; N228-S231 WeakPolarHBondContact O-CB 3.46Å; N228-S231 PolarHBondContact O-N 3.41Å; N228-S231 VanDerWaalsContact O-N 3.1Å; N228-S231 WeakPolarHBondContact OD1-CB 3.48Å; N228-S231 PolarHBondContact OD1-N 2.99Å; N228-S231 PolarHBondContact OD1-OG 3.2Å; N228-V232 PolarHBondContact O-N 3.06Å
229I94Very high93.4Very high31 Ų3136.2 Ų36.216%0.15920%0.198CC..Hα-helixtrans-53.4-44.9-177.9-52.7-56.4000112.4A63 L219 L222 Q223 L227 S231 V232 V233A63-I229 HydrophobicContact CB-CG2 4.06Å; L219-I229 HydrophobicContact CD2-CD1 4.48Å; L219-I229 HydrophobicContact CD2-CG2 3.88Å; L222-I229 HydrophobicContact CB-CD1 3.42Å; L222-I229 VanDerWaalsContact CB-CD1 3.42Å; L222-I229 HydrophobicContact CD1-CD1 4.12Å; L222-I229 HydrophobicContact CG-CD1 4.37Å; Q223-I229 HydrophobicContact CG-CD1 4.26Å; L227-I229 PolarHBondContact O-N 3.29Å; I229-S231 VanDerWaalsContact C-N 3.28Å; I229-S231 PolarHBondContact O-N 2.77Å; I229-V232 PolarHBondContact O-N 3.47Å; I229-V233 HydrophobicContact CG2-CG2 4.39Å; I229-V233 WeakPolarHBondContact O-CG2 3.4Å; I229-V233 PolarHBondContact O-N 3.2Å
230P94.9Very high93.7Very high58 Ų5836.9 Ų36.938%0.37720%0.204SC..Hα-helixtrans-56.1-38.8177.3-27.535.5000114N228 V232 V233 N234N228-P230 WeakPolarHBondContact OD1-CD 3.34Å; P230-V232 VanDerWaalsContact C-N 3.33Å; P230-V232 PolarHBondContact O-N 3.06Å; P230-V233 PolarHBondContact O-N 2.72Å; P230-N234 VanDerWaalsContact O-CG 3.23Å; P230-N234 PolarHBondContact O-N 3.17Å; P230-N234 PolarHBondContact O-ND2 3.35Å; P230-N234 PolarHBondContact O-OD1 3.35Å
231S96.4Very high94.2Very high0 Ų033.8 Ų33.80%019%0.189CC..Hα-helixtrans-66.4-34.1175.9-59.10000112.3Q159 N228 I229 N234 F235Q159-S231 WeakPolarHBondContact CA-O 3.33Å; Q159-S231 VanDerWaalsContact CB-O 3.24Å; Q159-S231 WeakPolarHBondContact CB-O 3.42Å; N228-S231 WeakPolarHBondContact O-CB 3.46Å; N228-S231 PolarHBondContact O-N 3.41Å; N228-S231 VanDerWaalsContact O-N 3.1Å; N228-S231 WeakPolarHBondContact OD1-CB 3.48Å; N228-S231 PolarHBondContact OD1-N 2.99Å; N228-S231 PolarHBondContact OD1-OG 3.2Å; I229-S231 VanDerWaalsContact C-N 3.28Å; I229-S231 PolarHBondContact O-N 2.77Å; S231-N234 WeakPolarHBondContact O-CB 3.36Å; S231-N234 PolarHBondContact O-N 3.39Å; S231-F235 PolarHBondContact O-N 3.39Å
232V96.5Very high94.5Very high0 Ų035.1 Ų35.10%019%0.194CC..Hα-helixtrans-73.1-35.8175.9-171.40000111.1L165 L213 I214 L222 N228 I229 P230 N234 F235 Q236L165-V232 HydrophobicContact CD2-CG1 4.24Å; L165-V232 HydrophobicContact CD2-CG2 4.25Å; L213-V232 HydrophobicContact CB-CG1 4.45Å; I214-V232 HydrophobicContact CD1-CB 3.9Å; I214-V232 HydrophobicContact CD1-CG1 3.55Å; L222-V232 HydrophobicContact CD1-CB 4.32Å; L222-V232 HydrophobicContact CD1-CG1 3.92Å; L222-V232 HydrophobicContact CD1-CG2 4.42Å; L222-V232 HydrophobicContact CD2-CG1 4.25Å; L222-V232 HydrophobicContact CD2-CG2 3.93Å; N228-V232 PolarHBondContact O-N 3.06Å; I229-V232 PolarHBondContact O-N 3.47Å; P230-V232 VanDerWaalsContact C-N 3.33Å; P230-V232 PolarHBondContact O-N 3.06Å; V232-N234 VanDerWaalsContact C-N 3.32Å; V232-F235 WeakPolarHBondContact O-CB 3.5Å; V232-F235 PolarHBondContact O-N 3.28Å; V232-Q236 PolarHBondContact O-N 2.93Å
233V96.4Very high94.7Very high1 Ų136.1 Ų36.11%0.00620%0.199CC..Hα-helixtrans-60.5-44.3169.3179.60000110A63 E66 A67 I214 I229 P230 F235 Q236 I237A63-V233 HydrophobicContact CB-CG2 3.91Å; E66-V233 HydrophobicContact CB-CG1 4.19Å; A67-V233 HydrophobicContact CB-CG1 3.94Å; I214-V233 HydrophobicContact CD1-CG2 4.23Å; I214-V233 HydrophobicContact CG1-CG2 4.06Å; I229-V233 HydrophobicContact CG2-CG2 4.39Å; I229-V233 WeakPolarHBondContact O-CG2 3.4Å; I229-V233 PolarHBondContact O-N 3.2Å; P230-V233 PolarHBondContact O-N 2.72Å; V233-F235 VanDerWaalsContact C-N 3.3Å; V233-F235 PolarHBondContact O-N 3.49Å; V233-Q236 WeakPolarHBondContact O-CB 3.44Å; V233-Q236 PolarHBondContact O-N 2.89Å; V233-Q236 VanDerWaalsContact O-N 3.14Å; V233-I237 HydrophobicContact CG1-CD1 4.14Å; V233-I237 WeakPolarHBondContact O-CG1 3.27Å; V233-I237 PolarHBondContact O-N 3.02Å
234N97.8Very high94.9Very high0 Ų035 Ų350%019%0.194CC..Hα-helixtrans-60.8-39.9174.5-65.7-16.6000111.9G18 R20 V83 Q159 P230 S231 V232 Q236 I237 I238G18-N234 PolarHBondContact O-ND2 3.46Å; R20-N234 WeakPolarHBondContact CD-OD1 3.1Å; R20-N234 VanDerWaalsContact CG-OD1 3.23Å; R20-N234 WeakPolarHBondContact CG-OD1 3.4Å; R20-N234 PolarHBondContact NE-OD1 3.21Å; R20-N234 PolarHBondContact NH1-OD1 3.3Å; V83-N234 HydrophobicContact CG1-CB 4.27Å; Q159-N234 HydrophobicContact CB-CB 3.63Å; Q159-N234 HydrophobicContact CG-CB 4.27Å; Q159-N234 PolarHBondContact OE1-ND2 3.17Å; P230-N234 VanDerWaalsContact O-CG 3.23Å; P230-N234 PolarHBondContact O-N 3.17Å; P230-N234 PolarHBondContact O-ND2 3.35Å; P230-N234 PolarHBondContact O-OD1 3.35Å; S231-N234 WeakPolarHBondContact O-CB 3.36Å; S231-N234 PolarHBondContact O-N 3.39Å; V232-N234 VanDerWaalsContact C-N 3.32Å; N234-Q236 VanDerWaalsContact C-N 3.33Å; N234-Q236 PolarHBondContact O-N 3.13Å; N234-I237 PolarHBondContact O-N 3.46Å; N234-I238 VanDerWaalsContact O-CG1 3.27Å; N234-I238 WeakPolarHBondContact O-CG1 3.43Å; N234-I238 PolarHBondContact O-N 3.14Å
235F98Very high95.2Very high4 Ų432.6 Ų32.62%0.01818%0.178CC..Hα-helixtrans-59.9-42.8174.1-168.6-74.4000111.7Q159 P162 L165 V198 L213 S231 V232 V233 I238 S239Q159-F235 WeakPolarHBondContact O-CA 3.38Å; Q159-F235 WeakPolarHBondContact O-CD2 3.27Å; P162-F235 HydrophobicContact CB-CE2 4.34Å; P162-F235 HydrophobicContact CB-CZ 4.03Å; P162-F235 HydrophobicContact CG-CE2 4.19Å; P162-F235 HydrophobicContact CG-CZ 3.96Å; L165-F235 HydrophobicContact CD1-CD1 3.77Å; L165-F235 HydrophobicContact CD1-CD2 3.99Å; L165-F235 HydrophobicContact CD1-CE1 3.52Å; L165-F235 HydrophobicContact CD1-CE2 3.77Å; L165-F235 HydrophobicContact CD1-CG 4.01Å; L165-F235 HydrophobicContact CD1-CZ 3.53Å; L165-F235 HydrophobicContact CG-CD2 4.37Å; L165-F235 HydrophobicContact CG-CE2 4.29Å; L165-F235 HydrophobicContact CG-CZ 4.49Å; V198-F235 HydrophobicContact CG1-CE1 4.42Å; V198-F235 HydrophobicContact CG1-CZ 4.28Å; V198-F235 WeakPolarHBondContact O-CZ 3.35Å; L213-F235 HydrophobicContact CD1-CD1 3.36Å; L213-F235 HydrophobicContact CD1-CE1 3.81Å; L213-F235 HydrophobicContact CD1-CG 4.44Å; S231-F235 PolarHBondContact O-N 3.39Å; V232-F235 WeakPolarHBondContact O-CB 3.5Å; V232-F235 PolarHBondContact O-N 3.28Å; V233-F235 VanDerWaalsContact C-N 3.3Å; V233-F235 PolarHBondContact O-N 3.49Å; F235-I238 PolarHBondContact O-N 3.42Å; F235-S239 VanDerWaalsContact CD1-OG 3.29Å; F235-S239 WeakPolarHBondContact CD1-OG 3.2Å; F235-S239 WeakPolarHBondContact CE1-OG 3.39Å; F235-S239 VanDerWaalsContact O-CB 3.24Å; F235-S239 WeakPolarHBondContact O-CB 3.33Å; F235-S239 PolarHBondContact O-N 3.26Å; F235-S239 PolarHBondContact O-OG 3.49Å
236Q97.3Very high95.4Very high16 Ų1631.8 Ų31.88%0.07518%0.176CC..Hα-helixtrans-60.1-47.3175.3-179.564.647.300111A67 H211 L213 V232 V233 N234 S239 T240A67-Q236 HydrophobicContact CB-CB 4.37Å; A67-Q236 HydrophobicContact CB-CG 3.96Å; H211-Q236 PolarHBondContact O-NE2 3.05Å; H211-Q236 PolarHBondContact O-OE1 3.3Å; L213-Q236 HydrophobicContact CD1-CB 4.4Å; V232-Q236 PolarHBondContact O-N 2.93Å; V233-Q236 WeakPolarHBondContact O-CB 3.44Å; V233-Q236 PolarHBondContact O-N 2.89Å; V233-Q236 VanDerWaalsContact O-N 3.14Å; N234-Q236 VanDerWaalsContact C-N 3.33Å; N234-Q236 PolarHBondContact O-N 3.13Å; Q236-S239 PolarHBondContact O-N 3.22Å; Q236-T240 PolarHBondContact NE2-OG1 3.47Å; Q236-T240 VanDerWaalsContact NE2-OG1 3.1Å; Q236-T240 VanDerWaalsContact O-CB 3.3Å; Q236-T240 WeakPolarHBondContact O-CB 3.45Å; Q236-T240 PolarHBondContact O-N 3.06Å; Q236-T240 PolarHBondContact O-OG1 3.15Å
237I97Very high95.6Very high4 Ų429.1 Ų29.12%0.02115%0.146CC..Hα-helixtrans-59.1-49.9178.2-66164.2000110.4L50 V83 V233 N234 S239 T240 Y241L50-I237 HydrophobicContact CD2-CG2 3.96Å; V83-I237 HydrophobicContact CG2-CG2 4.25Å; V233-I237 HydrophobicContact CG1-CD1 4.14Å; V233-I237 WeakPolarHBondContact O-CG1 3.27Å; V233-I237 PolarHBondContact O-N 3.02Å; N234-I237 PolarHBondContact O-N 3.46Å; I237-S239 PolarHBondContact O-N 3.33Å; I237-T240 PolarHBondContact O-N 2.84Å; I237-Y241 PolarHBondContact O-N 3.19Å
238I97.9Very high95.5Very high4 Ų434.3 Ų34.32%0.02117%0.168CC..Hα-helixtrans-63.2-44.8-179.7-67164.1000111.1L50 V83 V85 Q159 N234 F235 Y241 K242L50-I238 HydrophobicContact CD2-CG1 4.4Å; V83-I238 HydrophobicContact CG1-CD1 3.91Å; V83-I238 HydrophobicContact CG1-CG1 4.04Å; V85-I238 HydrophobicContact CG1-CG2 4.41Å; V85-I238 HydrophobicContact CG2-CD1 4.12Å; V85-I238 HydrophobicContact CG2-CG1 4.06Å; Q159-I238 HydrophobicContact CB-CD1 4.48Å; Q159-I238 HydrophobicContact CG-CD1 4.16Å; Q159-I238 WeakPolarHBondContact O-CD1 3.47Å; N234-I238 VanDerWaalsContact O-CG1 3.27Å; N234-I238 WeakPolarHBondContact O-CG1 3.43Å; N234-I238 PolarHBondContact O-N 3.14Å; F235-I238 PolarHBondContact O-N 3.42Å; I238-Y241 PolarHBondContact O-N 3.2Å; I238-K242 HydrophobicContact CG2-CD 4.16Å; I238-K242 WeakPolarHBondContact O-CG 3.43Å; I238-K242 PolarHBondContact O-N 3.18Å
239S97.3Very high95.4Very high6 Ų636.5 Ų36.54%0.04218%0.177CC..Hα-helixtrans-66-38.8-179.9-64.10000112.1F235 Q236 I237 K242 H243F235-S239 VanDerWaalsContact CD1-OG 3.29Å; F235-S239 WeakPolarHBondContact CD1-OG 3.2Å; F235-S239 WeakPolarHBondContact CE1-OG 3.39Å; F235-S239 VanDerWaalsContact O-CB 3.24Å; F235-S239 WeakPolarHBondContact O-CB 3.33Å; F235-S239 PolarHBondContact O-N 3.26Å; F235-S239 PolarHBondContact O-OG 3.49Å; Q236-S239 PolarHBondContact O-N 3.22Å; I237-S239 PolarHBondContact O-N 3.33Å; S239-K242 PolarHBondContact O-N 2.93Å; S239-H243 WeakPolarHBondContact O-CB 3.39Å; S239-H243 PolarHBondContact O-N 3.45Å
240T96.2Very high95.2Very high46 Ų4637.6 Ų37.628%0.28218%0.184SC..Hα-helixtrans-62.8-47.2175.5-56.20000110.7Q236 I237 K242 H243 M244Q236-T240 PolarHBondContact NE2-OG1 3.47Å; Q236-T240 VanDerWaalsContact NE2-OG1 3.1Å; Q236-T240 VanDerWaalsContact O-CB 3.3Å; Q236-T240 WeakPolarHBondContact O-CB 3.45Å; Q236-T240 PolarHBondContact O-N 3.06Å; Q236-T240 PolarHBondContact O-OG1 3.15Å; I237-T240 PolarHBondContact O-N 2.84Å; T240-K242 PolarHBondContact O-N 3.39Å; T240-H243 PolarHBondContact O-N 2.61Å; T240-M244 HydrophobicContact CG2-SD 3.98Å; T240-M244 WeakPolarHBondContact O-CG 3.46Å; T240-M244 PolarHBondContact O-N 2.87Å
241Y96Very high94.8Very high69 Ų6939 Ų3927%0.27119%0.185SC..Hα-helixtrans-57.9-47.8174.5170.1-97.2000112.3P46 L50 I237 I238 H243 M244 K245P46-Y241 HydrophobicContact CB-CE1 3.62Å; P46-Y241 WeakPolarHBondContact CB-OH 3.43Å; P46-Y241 HydrophobicContact CG-CE1 4.26Å; P46-Y241 WeakPolarHBondContact CG-OH 3.39Å; L50-Y241 HydrophobicContact CD1-CD1 3.88Å; L50-Y241 HydrophobicContact CD1-CD2 3.38Å; L50-Y241 HydrophobicContact CD1-CE1 4.2Å; L50-Y241 HydrophobicContact CD1-CE2 3.71Å; L50-Y241 HydrophobicContact CD1-CG 3.47Å; L50-Y241 VanDerWaalsContact CD1-CG 3.47Å; L50-Y241 HydrophobicContact CD2-CD1 4.38Å; L50-Y241 HydrophobicContact CD2-CG 3.97Å; L50-Y241 HydrophobicContact CG-CG 4.38Å; I237-Y241 PolarHBondContact O-N 3.19Å; I238-Y241 PolarHBondContact O-N 3.2Å; Y241-H243 VanDerWaalsContact C-N 3.32Å; Y241-H243 PolarHBondContact O-N 2.98Å; Y241-M244 PolarHBondContact O-N 3.11Å; Y241-K245 HydrophobicContact CE1-CB 4.47Å; Y241-K245 HydrophobicContact CE1-CD 3.87Å; Y241-K245 WeakPolarHBondContact O-CB 3.41Å; Y241-K245 PolarHBondContact O-N 3.24Å
242K95.6Very high94.3Very high54 Ų5443.7 Ų43.724%0.23521%0.21CC..Hα-helixtrans-61.4-41.1179.4-76.1179.5176.6-178.30112I238 S239 T240 K245 L246I238-K242 HydrophobicContact CG2-CD 4.16Å; I238-K242 WeakPolarHBondContact O-CG 3.43Å; I238-K242 PolarHBondContact O-N 3.18Å; S239-K242 PolarHBondContact O-N 2.93Å; T240-K242 PolarHBondContact O-N 3.39Å; K242-K245 PolarHBondContact O-N 3Å; K242-L246 WeakPolarHBondContact O-CB 3.45Å; K242-L246 PolarHBondContact O-N 2.72Å
243H95.8Very high93.6Very high22 Ų2247.8 Ų47.810%0.10224%0.235CC..Hα-helixtrans-62.5-49.7176.8-177.857.7000111.3F197 C202 H211 S239 T240 Y241 K245 L246 H247F197-H243 HydrophobicContact CD2-CB 4.03Å; F197-H243 HydrophobicContact CE2-CB 3.84Å; C202-H243 PolarHBondContact O-ND1 3.17Å; H211-H243 AromaticContact CE1-CD2 3.95Å; H211-H243 AromaticContact CE1-CE1 3.48Å; H211-H243 PolarHBondContact CE1-CE1 3.27Å; H211-H243 VanDerWaalsContact CE1-CE1 3.48Å; H211-H243 AromaticContact CE1-NE2 3.27Å; H211-H243 PolarHBondContact CE1-NE2 3.28Å; H211-H243 VanDerWaalsContact CE1-NE2 3.27Å; H211-H243 AromaticContact ND1-CD2 3.76Å; H211-H243 AromaticContact ND1-NE2 3.46Å; H211-H243 PolarHBondContact ND1-NE2 3.28Å; S239-H243 WeakPolarHBondContact O-CB 3.39Å; S239-H243 PolarHBondContact O-N 3.45Å; T240-H243 PolarHBondContact O-N 2.61Å; Y241-H243 VanDerWaalsContact C-N 3.32Å; Y241-H243 PolarHBondContact O-N 2.98Å; H243-K245 VanDerWaalsContact C-N 3.34Å; H243-K245 PolarHBondContact O-N 3.01Å; H243-L246 PolarHBondContact O-N 3.39Å; H243-H247 AromaticContact CE1-CD2 3.23Å; H243-H247 PolarHBondContact CE1-CD2 2.76Å; H243-H247 AromaticContact CE1-NE2 2.99Å; H243-H247 PolarHBondContact CE1-NE2 3.11Å; H243-H247 AromaticContact CG-CD2 3.97Å; H243-H247 AromaticContact ND1-CD2 3.4Å; H243-H247 PolarHBondContact ND1-CD2 3.35Å; H243-H247 AromaticContact ND1-NE2 3.49Å; H243-H247 PolarHBondContact ND1-NE2 3.17Å; H243-H247 AromaticContact NE2-CD2 3.73Å; H243-H247 AromaticContact NE2-NE2 3.75Å; H243-H247 PolarHBondContact O-CD2 3.42Å; H243-H247 PolarHBondContact O-N 2.89Å
244M94Very high92.6Very high102 Ų10253.3 Ų53.350%0.50227%0.265SS..Hα-helixtrans-60.2-41.8175.8-68.6162.366.900112.3T240 Y241 H247 K248T240-M244 HydrophobicContact CG2-SD 3.98Å; T240-M244 WeakPolarHBondContact O-CG 3.46Å; T240-M244 PolarHBondContact O-N 2.87Å; Y241-M244 PolarHBondContact O-N 3.11Å; M244-H247 PolarHBondContact O-N 3.21Å; M244-K248 WeakPolarHBondContact O-CG 3.5Å; M244-K248 PolarHBondContact O-N 3.46Å
245K93.8Very high91.2Very high69 Ų6959.8 Ų59.830%0.330%0.3SS..Hα-helixtrans-63-46.4177.6-179.1-179176.2178.90111.5E47 Y241 K242 H243 H247 K248 M249E47-K245 IonicContact OE1-NZ 2.76Å; E47-K245 PolarHBondContact OE1-NZ 3.43Å; Y241-K245 HydrophobicContact CE1-CB 4.47Å; Y241-K245 HydrophobicContact CE1-CD 3.87Å; Y241-K245 WeakPolarHBondContact O-CB 3.41Å; Y241-K245 PolarHBondContact O-N 3.24Å; K242-K245 PolarHBondContact O-N 3Å; H243-K245 VanDerWaalsContact C-N 3.34Å; H243-K245 PolarHBondContact O-N 3.01Å; K245-H247 VanDerWaalsContact C-N 3.28Å; K245-H247 PolarHBondContact O-N 3.22Å; K245-K248 PolarHBondContact O-N 3.29Å; K245-M249 HydrophobicContact CG-SD 4.39Å; K245-M249 WeakPolarHBondContact O-CG 2.92Å; K245-M249 PolarHBondContact O-N 3.37Å
246L94Very high89.4Confident39 Ų3964.4 Ų64.420%0.20433%0.332CS..Hα-helixtrans-58.3-43.6176.7177.261.6000110.9C202 K203 K242 H243 M249 L250C202-L246 WeakPolarHBondContact O-CD2 3.39Å; K203-L246 HydrophobicContact CG-CD2 4.38Å; K242-L246 WeakPolarHBondContact O-CB 3.45Å; K242-L246 PolarHBondContact O-N 2.72Å; H243-L246 PolarHBondContact O-N 3.39Å; L246-M249 WeakPolarHBondContact O-CB 3.49Å; L246-M249 PolarHBondContact O-N 3.28Å; L246-L250 HydrophobicContact CD1-CD1 4.4Å; L246-L250 HydrophobicContact CD1-CG 4.44Å; L246-L250 HydrophobicContact CG-CD1 4.18Å; L246-L250 WeakPolarHBondContact O-CG 3.17Å; L246-L250 PolarHBondContact O-N 3Å
247H92.3Very high86.9Confident6 Ų667.1 Ų67.13%0.02835%0.353CS..Hα-helixtrans-65-44.9179.5-87.4-63.4000113.8C202 K203 L204 Q205 H243 M244 K245 M249 L250 E251C202-H247 PolarHBondContact O-NE2 2.59Å; K203-H247 PolarHBondContact O-CE1 3.29Å; L204-H247 PolarHBondContact O-NE2 3.23Å; Q205-H247 VanDerWaalsContact CD-CG 3.4Å; Q205-H247 WeakPolarHBondContact CG-ND1 3.41Å; Q205-H247 PolarHBondContact N-CE1 3.08Å; Q205-H247 VanDerWaalsContact NE2-CB 3.35Å; Q205-H247 VanDerWaalsContact NE2-CG 3.33Å; Q205-H247 PolarHBondContact NE2-ND1 2.96Å; Q205-H247 PolarHBondContact OE1-ND1 2.81Å; H243-H247 AromaticContact CE1-CD2 3.23Å; H243-H247 PolarHBondContact CE1-CD2 2.76Å; H243-H247 AromaticContact CE1-NE2 2.99Å; H243-H247 PolarHBondContact CE1-NE2 3.11Å; H243-H247 AromaticContact CG-CD2 3.97Å; H243-H247 AromaticContact ND1-CD2 3.4Å; H243-H247 PolarHBondContact ND1-CD2 3.35Å; H243-H247 AromaticContact ND1-NE2 3.49Å; H243-H247 PolarHBondContact ND1-NE2 3.17Å; H243-H247 AromaticContact NE2-CD2 3.73Å; H243-H247 AromaticContact NE2-NE2 3.75Å; H243-H247 PolarHBondContact O-CD2 3.42Å; H243-H247 PolarHBondContact O-N 2.89Å; M244-H247 PolarHBondContact O-N 3.21Å; K245-H247 VanDerWaalsContact C-N 3.28Å; K245-H247 PolarHBondContact O-N 3.22Å; H247-M249 PolarHBondContact O-N 3.45Å; H247-L250 PolarHBondContact O-N 3.25Å; H247-L250 VanDerWaalsContact O-N 3.13Å; H247-E251 WeakPolarHBondContact O-CG 3.37Å; H247-E251 PolarHBondContact O-N 3.46Å
248K92.1Very high84.5Confident125 Ų12572.5 Ų72.554%0.54339%0.388SS..Hα-helixtrans-57.8-37.4171.6-71.8178.3179.7-174.30112.3M244 K245 N252M244-K248 WeakPolarHBondContact O-CG 3.5Å; M244-K248 PolarHBondContact O-N 3.46Å; K245-K248 PolarHBondContact O-N 3.29Å; K248-N252 WeakPolarHBondContact O-CB 3.29Å; K248-N252 PolarHBondContact O-N 3.22Å; K248-N252 VanDerWaalsContact O-N 3.17Å; K248-N252 PolarHBondContact O-ND2 2.76Å
249M90.2Very high82Confident110 Ų11078 Ų7854%0.54243%0.427SS..Hα-helixtrans-67.8-39.6176.7-70.4175.561.300112.5K245 L246 H247 T253K245-M249 HydrophobicContact CG-SD 4.39Å; K245-M249 WeakPolarHBondContact O-CG 2.92Å; K245-M249 PolarHBondContact O-N 3.37Å; L246-M249 WeakPolarHBondContact O-CB 3.49Å; L246-M249 PolarHBondContact O-N 3.28Å; H247-M249 PolarHBondContact O-N 3.45Å; M249-T253 PolarHBondContact O-N 3.45Å; M249-T253 PolarHBondContact O-OG1 3.29Å
250L89.1Confident79.1Confident55 Ų5584.2 Ų84.229%0.28847%0.465SS..Hα-helixtrans-67.7-46.3177.9-67.3171.2000111.3K203 L246 H247 N252 T253 D254K203-L250 HydrophobicContact CB-CD1 4.02Å; K203-L250 HydrophobicContact CG-CD1 4.21Å; L246-L250 HydrophobicContact CD1-CD1 4.4Å; L246-L250 HydrophobicContact CD1-CG 4.44Å; L246-L250 HydrophobicContact CG-CD1 4.18Å; L246-L250 WeakPolarHBondContact O-CG 3.17Å; L246-L250 PolarHBondContact O-N 3Å; H247-L250 PolarHBondContact O-N 3.25Å; H247-L250 VanDerWaalsContact O-N 3.13Å; L250-N252 VanDerWaalsContact C-N 3.32Å; L250-N252 PolarHBondContact O-N 3.45Å; L250-T253 WeakPolarHBondContact O-CB 3.47Å; L250-T253 PolarHBondContact O-N 2.73Å; L250-D254 PolarHBondContact O-N 2.93Å
251E87.9Confident76.6Confident87 Ų8789.9 Ų89.941%0.40749%0.488SS..Hα-helixtrans-57.8-42.5176.5-71.6167.8-177.400112.4Q205 H247 T253 D254 N255Q205-E251 PolarHBondContact NE2-OE1 3.3Å; H247-E251 WeakPolarHBondContact O-CG 3.37Å; H247-E251 PolarHBondContact O-N 3.46Å; E251-T253 VanDerWaalsContact C-N 3.26Å; E251-T253 PolarHBondContact O-N 3.35Å; E251-D254 PolarHBondContact O-N 3.14Å; E251-N255 WeakPolarHBondContact O-CB 3.44Å; E251-N255 PolarHBondContact O-N 2.91Å; E251-N255 PolarHBondContact O-ND2 2.83Å
252N84.2Confident73.8Confident98 Ų9894.9 Ų94.952%0.52451%0.513SS..Hα-helixtrans-66.9-29177-70.6-13.4000112.8K248 L250 S256K248-N252 WeakPolarHBondContact O-CB 3.29Å; K248-N252 PolarHBondContact O-N 3.22Å; K248-N252 VanDerWaalsContact O-N 3.17Å; K248-N252 PolarHBondContact O-ND2 2.76Å; L250-N252 VanDerWaalsContact C-N 3.32Å; L250-N252 PolarHBondContact O-N 3.45Å; N252-S256 WeakPolarHBondContact O-CB 3.42Å; N252-S256 PolarHBondContact O-N 2.92Å; N252-S256 PolarHBondContact O-OG 2.91Å
253T81.8Confident71.1Confident87 Ų8797 Ų9753%0.53454%0.535SS..Hα-helixtrans-73.9-42.4177.4-54.30000110.5M249 L250 E251 N255 S256 S257M249-T253 PolarHBondContact O-N 3.45Å; M249-T253 PolarHBondContact O-OG1 3.29Å; L250-T253 WeakPolarHBondContact O-CB 3.47Å; L250-T253 PolarHBondContact O-N 2.73Å; E251-T253 VanDerWaalsContact C-N 3.26Å; E251-T253 PolarHBondContact O-N 3.35Å; T253-N255 VanDerWaalsContact C-N 3.31Å; T253-N255 PolarHBondContact O-N 2.71Å; T253-S256 PolarHBondContact O-N 2.65Å; T253-S257 PolarHBondContact O-OG 3.16Å
254D75.4Confident68.4Low117 Ų117104.6 Ų104.663%0.62657%0.571SS**Hα-helixtrans-63.6-38.3176.9-64.4-25.8000111.2L250 E251 S256L250-D254 PolarHBondContact O-N 2.93Å; E251-D254 PolarHBondContact O-N 3.14Å; D254-S256 VanDerWaalsContact C-N 3.35Å; D254-S256 PolarHBondContact O-N 3.29Å
255N68.6Low65.3Low136 Ų136103 Ų10373%0.72758%0.581SS**THydrogen-bonded Turntrans-75-16176.8-71.2-16.5000115E251 T253E251-N255 WeakPolarHBondContact O-CB 3.44Å; E251-N255 PolarHBondContact O-N 2.91Å; E251-N255 PolarHBondContact O-ND2 2.83Å; T253-N255 VanDerWaalsContact C-N 3.31Å; T253-N255 PolarHBondContact O-N 2.71Å
256S61.2Low62.5Low101 Ų101107.9 Ų107.971%0.70661%0.609SS**THydrogen-bonded Turntrans-95.9-0.5-179.7-57.90000113.3N252 T253 D254N252-S256 WeakPolarHBondContact O-CB 3.42Å; N252-S256 PolarHBondContact O-N 2.92Å; N252-S256 PolarHBondContact O-OG 2.91Å; T253-S256 PolarHBondContact O-N 2.65Å; D254-S256 VanDerWaalsContact C-N 3.35Å; D254-S256 PolarHBondContact O-N 3.29Å
257S45.4Very low59.7Low73 Ų73114.6 Ų114.651%0.5164%0.639SS.*SBendtrans-79.3130.9172.8-59.90000109T253 S259T253-S257 PolarHBondContact O-OG 3.16Å; S257-S259 PolarHBondContact O-N 2.79Å; S257-S259 VanDerWaalsContact O-N 3.16Å
258P46.1Very low57Low117 Ų117124.6 Ų124.676%0.7668%0.683SS**  trans-68.3119.4179.127-30.1000109T260P258-T260 PolarHBondContact O-N 2.87Å
259S45.2Very low54.2Low118 Ų118128 Ų12883%0.82570%0.701SS**  trans-58.498166-47.50000109S257 E261S257-S259 PolarHBondContact O-N 2.79Å; S257-S259 VanDerWaalsContact O-N 3.16Å; S259-E261 PolarHBondContact O-N 3.14Å
260T37.3Very low51.3Low138 Ų138126.1 Ų126.185%0.84771%0.709SS**  trans-82.393160.344.30000108P258P258-T260 PolarHBondContact O-N 2.87Å
261E43.1Very low48.5Very low165 Ų165129.4 Ų129.477%0.77173%0.731SS**  trans-86.1143.6157-73.3-165.2137.400110.6S259S259-E261 PolarHBondContact O-N 3.14Å
262H37.2Very low45.8Very low173 Ų173133.9 Ų133.980%0.80175%0.752SS**  trans71.4133.3165.2-74.7-46.6000118
263S38.6Very low43.2Very low98 Ų98133.2 Ų133.269%0.68576%0.76SS**  cis-156.5146.143.6-73.60000114.4
264Q38Very low40.7Very low183 Ų183134.1 Ų134.186%0.85578%0.776SS**  trans45.2118.3132.1-59.7179-23.600121.3
265G30.7Very low38.4Very low69 Ų69132.3 Ų132.371%0.71179%0.785SS**  69.9116.2121.300000119.2
266L34.9Very low36.6Very low171 Ų171131.1 Ų131.190%0.89579%0.794SS**  -163.2137.3115.3-127.985.8000111.3
267E34.1Very low35.2Very low180 Ų180130.4 Ų130.484%0.84179%0.794SS**  trans-62151.3177.6-59.3157.2117.600112.5
268K35Very low34.5Very low216 Ų216136.1 Ų136.194%0.93981%0.813SS**  trans-160.1113.5133.6-107.2171.6-168.9-172.10111.1
269Q33.8Very low33.8Very low197 Ų197135.1 Ų135.192%0.92181%0.814SS**  trans-83.2141.8170-106.2165.2-5.800111
270G30.1Very low33.1Very low70 Ų70132.9 Ų132.972%0.72281%0.81SS**  trans91.2150.8138.700000117
271V30.6Very low33.7Very low124 Ų124131.9 Ų131.975%0.75281%0.806SS**  cis-165.3155.1-8.8160.10000104.1
272H31.2Very low33.1Very low181 Ų181131.7 Ų131.784%0.83881%0.809SS**  trans129.5143.8152.3-75.6-76.4000112.8
273A29.3Very low32.8Very low83 Ų83127.6 Ų127.669%0.68681%0.806SS**  cis178139-41.200000105.3
274A29.7Very low32.5Very low106 Ų106128.3 Ų128.388%0.87681%0.811SS**  trans55.7118.6156.900000119.7
275G27.1Very low32.4Very low79 Ų79125.7 Ų125.781%0.81481%0.807SS**  107.4145.791.800000108.3
276A30.9Very low32.9Very low111 Ų111128.5 Ų128.592%0.91781%0.813SS**  cis-159.2-171.718.300000109.5
277A30.9Very low32.8Very low86 Ų86124.3 Ų124.371%0.71180%0.803SS**  trans-95.4178.9-158.300000117.3
278E31.7Very low32.9Very low194 Ų194125.4 Ų125.491%0.90781%0.808SS**  trans75.7146.9157.8-52.5-148.6116.200117.3
279A31.7Very low32.8Very low95 Ų95120.6 Ų120.679%0.78580%0.801SS**  cis-155161.714.400000109.6
280G30.3Very low32.9Very low71 Ų71116 Ų11673%0.73280%0.797SS**  trans-80.5-145.9175.300000114
281P48.9Very low33.1Very low118 Ų118122.2 Ų122.277%0.76680%0.804SS**  cis-129.6-170.9-42.730-8.7000111.9
282L31.3Very low33.4Very low160 Ų160126.1 Ų126.184%0.83881%0.811SS**  trans123.6122143.9-73157.9000119
283A29.8Very low33.7Very low88 Ų88123.3 Ų123.373%0.72781%0.809SS**  trans71.714513700000117.4
284S33.2Very low34.2Very low113 Ų113125.5 Ų125.579%0.7982%0.818SS**  cis-161151.719.4-43.50000109.3
285V35.9Very low35.1Very low128 Ų128125.8 Ų125.878%0.77681%0.811SS**  trans-82.1158.5157.8-152.90000107.7
286P41.3Very low35.7Very low128 Ų128128.5 Ų128.583%0.83181%0.811SS**  -144.1161.689.833-13.9000115.7
287A32.2Very low35.7Very low83 Ų83129 Ų12969%0.68681%0.806SS**  trans-64.6163.5179.100000114.7
288Q35.5Very low36Very low203 Ų203131 Ų13195%0.94981%0.814SS**  trans-156.4136.6135.2-108.5167.456.500112.7
289S34.3Very low36.1Very low114 Ų114130.8 Ų130.880%0.79781%0.813SS**  trans-105.2143.4-178.9-165.40000108.4
290A34.6Very low36.5Very low102 Ų102139.7 Ų139.784%0.84383%0.834SS**  trans-153.6103.2160.200000111.3
291K35.2Very low36.8Very low199 Ų199143.2 Ų143.287%0.86584%0.839SS**  trans-71.8147.6159.9-71.9173173.5175.70109.5
292K35.9Very low36.2Very low207 Ų207144.5 Ų144.590%0.984%0.843SS**  trans-127151.1156.3-92.4-173.6177.1-179.60110.9
293P38.8Very low36.5Very low122 Ų122143.6 Ų143.679%0.79284%0.843SS**  trans-103158.9-161.6157000113.9
294C38.9Very low36.9Very low128 Ų128146.9 Ų146.987%0.86585%0.85SS**  trans-79.9154.5166.5-64.20000111.9
295P48.3Very low37.1Very low113 Ų113149 Ų14973%0.73485%0.854SS**  trans-107.7131162.533.8-22.2000113.5
296V39.4Very low37.2Very low135 Ų135150.4 Ų150.482%0.81886%0.859SS**  71.7119.7124-173.80000120.4
297C30.8Very low36.9Very low121 Ų121152 Ų15282%0.81886%0.861SS**  trans-69.4145.9159.4-63.40000111.5
298C38.1Very low37.2Very low129 Ų129157.3 Ų157.387%0.87287%0.874SS**  trans-132.3128.5154-91.30000109.9
299E34Very low37.4Very low189 Ų189153.5 Ų153.588%0.88387%0.868SS**  trans-64.7135.6169.5-64.4161.296.800111.4
300K40.1Very low37.6Very low283 Ų283157.1 Ų157.1100%1.2388%0.875SS**  177.20127.8-97.6177.1-178-177.10110.4

Retrieved 300 of 300 residues in 62 ms (Link to these results)

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