A0A5K4FF17_SCHMA Loading...

Ribosomal protein L19

AlphaFold DB , UniProt , Accession A0A5K4FF17, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 289 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
1M47.7Very low86.6Confident246 Ų24694.2 Ų94.2100%1.21247%0.473SS*.  0127.50-68.8-167.3-18000108.9S3M1-S3 PolarHBondContact O-N 3.5Å
2S69.3Low87.5Confident122 Ų12286.3 Ų86.385%0.85343%0.434SS*.  trans-69.8127.6176.3-178.30000110.2
3S80.2Confident88.2Confident37 Ų3781.4 Ų81.426%0.25941%0.412SS..  trans-60.4131.9175.550.20000111.9M1 L5M1-S3 PolarHBondContact O-N 3.5Å; S3-L5 PolarHBondContact O-N 3.36Å
4N90.8Very high88.7Confident110 Ų11080.1 Ų80.159%0.58842%0.421SS*.  trans-88.497.5-177.8-175-9.4000112R6N4-R6 PolarHBondContact O-N 2.72Å; N4-R6 VanDerWaalsContact OD1-CB 3.29Å; N4-R6 WeakPolarHBondContact OD1-CB 3.25Å; N4-R6 WeakPolarHBondContact OD1-CG 3.45Å; N4-R6 PolarHBondContact OD1-N 3.4Å
5L93.5Very high89.2Confident28 Ų2876.9 Ų76.915%0.14741%0.405CS..  trans-92.117.4-179-55.3-179.4000114.5S3 A7 K9 L25 T30 I33 Q34S3-L5 PolarHBondContact O-N 3.36Å; L5-A7 VanDerWaalsContact C-N 3.34Å; L5-A7 PolarHBondContact O-N 2.97Å; L5-K9 WeakPolarHBondContact O-CB 3.27Å; L5-K9 PolarHBondContact O-N 3.37Å; L5-L25 HydrophobicContact CB-CD1 3.74Å; L5-L25 HydrophobicContact CD1-CD1 4.02Å; L5-T30 HydrophobicContact CD1-CG2 4.22Å; L5-I33 HydrophobicContact CD1-CG2 4.33Å; L5-I33 HydrophobicContact CD2-CG2 4.19Å; L5-Q34 HydrophobicContact CD2-CB 3.99Å
6R94.1Very high89.4Confident204 Ų20473.9 Ų73.977%0.7739%0.388SS*.Hα-helixtrans-64.3-37-177.1-70.9179.1-169.7-149.33.9112.3N4 R10N4-R6 PolarHBondContact O-N 2.72Å; N4-R6 VanDerWaalsContact OD1-CB 3.29Å; N4-R6 WeakPolarHBondContact OD1-CB 3.25Å; N4-R6 WeakPolarHBondContact OD1-CG 3.45Å; N4-R6 PolarHBondContact OD1-N 3.4Å; R6-R10 WeakPolarHBondContact O-CB 3.48Å; R6-R10 PolarHBondContact O-N 3.36Å
7A93.8Very high89.7Confident45 Ų4573.7 Ų73.737%0.37241%0.408SS..Hα-helixtrans-67.5-46.2179.800000111.5L5 K9 R10 L11L5-A7 VanDerWaalsContact C-N 3.34Å; L5-A7 PolarHBondContact O-N 2.97Å; A7-K9 PolarHBondContact O-N 2.93Å; A7-R10 CarbonylContact O-C 3.6Å; A7-R10 WeakPolarHBondContact O-CB 3.39Å; A7-R10 PolarHBondContact O-N 2.85Å; A7-R10 VanDerWaalsContact O-N 3.13Å; A7-L11 WeakPolarHBondContact O-CG 3.32Å; A7-L11 PolarHBondContact O-N 3.43Å
8Q95.4Very high90Very high12 Ų1270.3 Ų70.36%0.05639%0.39CS..Hα-helixtrans-62.4-44.4177.8-66.776.71.400110.3R10 L11 A12 I33 Q34 I42Q8-R10 VanDerWaalsContact C-N 3.31Å; Q8-R10 PolarHBondContact O-N 3.18Å; Q8-L11 PolarHBondContact O-N 3.46Å; Q8-A12 VanDerWaalsContact O-CB 3.3Å; Q8-A12 WeakPolarHBondContact O-CB 3.32Å; Q8-A12 PolarHBondContact O-N 3.3Å; Q8-I33 HydrophobicContact CB-CG2 4.1Å; Q8-I33 HydrophobicContact CG-CG2 4.13Å; Q8-I33 WeakPolarHBondContact CG-O 3.26Å; Q8-Q34 PolarHBondContact NE2-O 3.49Å; Q8-I42 HydrophobicContact CB-CD1 4.11Å; Q8-I42 HydrophobicContact CG-CD1 4.34Å
9K95.9Very high90.3Very high79 Ų7969.1 Ų69.134%0.34339%0.394SS..Hα-helixtrans-62-37.5174.4-161.9165.8-171.8167.30112.4L5 A7 S13 K20 I23 L25L5-K9 WeakPolarHBondContact O-CB 3.27Å; L5-K9 PolarHBondContact O-N 3.37Å; A7-K9 PolarHBondContact O-N 2.93Å; K9-S13 WeakPolarHBondContact O-CB 3.34Å; K9-S13 PolarHBondContact O-N 2.9Å; K9-S13 VanDerWaalsContact O-N 3.16Å; K9-K20 WeakPolarHBondContact CE-O 3.38Å; K9-I23 HydrophobicContact CG-CB 4.32Å; K9-I23 HydrophobicContact CG-CD1 4.23Å; K9-I23 HydrophobicContact CG-CG2 4.35Å; K9-I23 WeakPolarHBondContact O-CD1 3.45Å; K9-L25 HydrophobicContact CB-CD1 4.16Å
10R96.3Very high90.6Very high132 Ų13271.5 Ų71.550%0.49840%0.4SS..Hα-helixtrans-67.3-44.3174-180-17663830.4111.5R6 A7 Q8 S13 A14R6-R10 WeakPolarHBondContact O-CB 3.48Å; R6-R10 PolarHBondContact O-N 3.36Å; A7-R10 CarbonylContact O-C 3.6Å; A7-R10 WeakPolarHBondContact O-CB 3.39Å; A7-R10 PolarHBondContact O-N 2.85Å; A7-R10 VanDerWaalsContact O-N 3.13Å; Q8-R10 VanDerWaalsContact C-N 3.31Å; Q8-R10 PolarHBondContact O-N 3.18Å; R10-S13 VanDerWaalsContact O-CB 3.31Å; R10-S13 WeakPolarHBondContact O-CB 3.4Å; R10-S13 PolarHBondContact O-N 3.32Å; R10-A14 PolarHBondContact O-N 2.93Å
11L95.9Very high90.8Very high21 Ų2176.8 Ų76.811%0.1142%0.419CS..Hα-helixtrans-64.5-45.4178.4-71.1174.6000111.6A7 Q8 S13 A14 V15 R39 I42A7-L11 WeakPolarHBondContact O-CG 3.32Å; A7-L11 PolarHBondContact O-N 3.43Å; Q8-L11 PolarHBondContact O-N 3.46Å; L11-S13 PolarHBondContact O-N 3.49Å; L11-A14 PolarHBondContact O-N 3.01Å; L11-V15 WeakPolarHBondContact O-CB 3.37Å; L11-V15 VanDerWaalsContact O-CG2 3.25Å; L11-V15 WeakPolarHBondContact O-CG2 3.37Å; L11-V15 PolarHBondContact O-N 2.83Å; L11-R39 HydrophobicContact CD2-CG 4.11Å; L11-I42 HydrophobicContact CB-CD1 4.42Å; L11-I42 HydrophobicContact CB-CG1 3.92Å; L11-I42 HydrophobicContact CD1-CG1 4.37Å
12A96.6Very high93.1Very high0 Ų067.5 Ų67.50%037%0.372CS..Hα-helixtrans-57.1-38.3174.300000112.2Q8 V15 F16 I23 I42 I51Q8-A12 VanDerWaalsContact O-CB 3.3Å; Q8-A12 WeakPolarHBondContact O-CB 3.32Å; Q8-A12 PolarHBondContact O-N 3.3Å; A12-V15 PolarHBondContact O-N 2.91Å; A12-F16 HydrophobicContact CB-CD2 4.29Å; A12-F16 HydrophobicContact CB-CE2 3.79Å; A12-F16 HydrophobicContact CB-CZ 4.33Å; A12-F16 WeakPolarHBondContact O-CB 3.37Å; A12-F16 WeakPolarHBondContact O-CD2 3.36Å; A12-F16 VanDerWaalsContact O-CG 3.29Å; A12-F16 WeakPolarHBondContact O-CG 3.34Å; A12-F16 PolarHBondContact O-N 3.49Å; A12-I23 HydrophobicContact CB-CD1 3.88Å; A12-I23 HydrophobicContact CB-CG1 4.42Å; A12-I23 HydrophobicContact CB-CG2 3.85Å; A12-I42 HydrophobicContact CB-CG2 3.82Å; A12-I51 HydrophobicContact CB-CD1 4.47Å; A12-I51 HydrophobicContact CB-CG2 4.07Å
13S96.9Very high94.4Very high22 Ų2261.7 Ų61.715%0.15433%0.331CS..Hα-helixtrans-62-47.4177.3-163.50000111.5K9 R10 L11 G17 C18 K20 I23K9-S13 WeakPolarHBondContact O-CB 3.34Å; K9-S13 PolarHBondContact O-N 2.9Å; K9-S13 VanDerWaalsContact O-N 3.16Å; R10-S13 VanDerWaalsContact O-CB 3.31Å; R10-S13 WeakPolarHBondContact O-CB 3.4Å; R10-S13 PolarHBondContact O-N 3.32Å; L11-S13 PolarHBondContact O-N 3.49Å; S13-G17 PolarHBondContact O-N 3.4Å; S13-G17 VanDerWaalsContact O-N 3.17Å; S13-C18 WeakPolarHBondContact CA-O 3.28Å; S13-C18 WeakPolarHBondContact CB-O 3.47Å; S13-C18 PolarHBondContact O-N 3.44Å; S13-C18 PolarHBondContact OG-O 3.29Å; S13-K20 PolarHBondContact OG-N 3.3Å; S13-I23 VanDerWaalsContact CB-CD1 3.49Å
14A95.5Very high95.1Very high64 Ų6464.1 Ų64.153%0.52934%0.335SS..Hα-helixtrans-67.8-37.3178.900000112R10 L11R10-A14 PolarHBondContact O-N 2.93Å; L11-A14 PolarHBondContact O-N 3.01Å
15V95.4Very high95.3Very high31 Ų3160.2 Ų60.219%0.18831%0.314CS..Hα-helixtrans-72.3-40.7-1791710000112.1L11 A12 R39 I42 R43L11-V15 WeakPolarHBondContact O-CB 3.37Å; L11-V15 VanDerWaalsContact O-CG2 3.25Å; L11-V15 WeakPolarHBondContact O-CG2 3.37Å; L11-V15 PolarHBondContact O-N 2.83Å; A12-V15 PolarHBondContact O-N 2.91Å; V15-R39 HydrophobicContact CG2-CB 3.78Å; V15-R39 HydrophobicContact CG2-CG 3.83Å; V15-I42 HydrophobicContact CB-CG2 4.38Å; V15-I42 HydrophobicContact CG2-CG2 4.35Å; V15-R43 HydrophobicContact CG1-CG 3.44Å; V15-R43 VanDerWaalsContact CG1-CG 3.44Å
16F93.5Very high95.4Very high30 Ų3060.2 Ų60.213%0.13231%0.314CS..Hα-helixtrans-89.6-5.6-177.7-54-32.2000114.6A12 C18 I42 F46 I51A12-F16 HydrophobicContact CB-CD2 4.29Å; A12-F16 HydrophobicContact CB-CE2 3.79Å; A12-F16 HydrophobicContact CB-CZ 4.33Å; A12-F16 WeakPolarHBondContact O-CB 3.37Å; A12-F16 WeakPolarHBondContact O-CD2 3.36Å; A12-F16 VanDerWaalsContact O-CG 3.29Å; A12-F16 WeakPolarHBondContact O-CG 3.34Å; A12-F16 PolarHBondContact O-N 3.49Å; F16-C18 VanDerWaalsContact C-N 3.25Å; F16-C18 PolarHBondContact O-N 3.05Å; F16-I42 HydrophobicContact CZ-CG2 4.34Å; F16-F46 HydrophobicContact CD1-CD2 4.08Å; F16-F46 HydrophobicContact CD1-CE2 4.43Å; F16-F46 HydrophobicContact CD1-CG 4.27Å; F16-F46 HydrophobicContact CD2-CD2 4.49Å; F16-F46 HydrophobicContact CE1-CB 3.51Å; F16-F46 HydrophobicContact CE1-CD1 4.17Å; F16-F46 AromaticContact CE1-CD2 3.4Å; F16-F46 HydrophobicContact CE1-CD2 3.4Å; F16-F46 VanDerWaalsContact CE1-CD2 3.4Å; F16-F46 HydrophobicContact CE1-CE2 4.17Å; F16-F46 AromaticContact CE1-CG 3.4Å; F16-F46 HydrophobicContact CE1-CG 3.4Å; F16-F46 VanDerWaalsContact CE1-CG 3.4Å; F16-F46 AromaticContact CE2-CD2 3.87Å; F16-F46 HydrophobicContact CE2-CD2 3.87Å; F16-F46 HydrophobicContact CE2-CE2 4.5Å; F16-F46 HydrophobicContact CZ-CB 3.54Å; F16-F46 AromaticContact CZ-CD2 3.3Å; F16-F46 HydrophobicContact CZ-CD2 3.3Å; F16-F46 HydrophobicContact CZ-CE2 4.23Å; F16-F46 AromaticContact CZ-CG 3.63Å; F16-F46 HydrophobicContact CZ-CG 3.63Å; F16-I51 HydrophobicContact CE2-CB 4.49Å; F16-I51 HydrophobicContact CE2-CG2 3.51Å; F16-I51 HydrophobicContact CZ-CB 4.41Å; F16-I51 HydrophobicContact CZ-CG2 3.87Å
17G94.8Very high95.4Very high70 Ų7054.5 Ų54.572%0.72230%0.304SS*.THydrogen-bonded Turntrans61.832.4-175.400000113.2S13S13-G17 PolarHBondContact O-N 3.4Å; S13-G17 VanDerWaalsContact O-N 3.17Å
18C94.8Very high95.4Very high13 Ų1359 Ų599%0.08832%0.321CS..SBendtrans-128154.4178.773.90000110.6S13 F16 K22S13-C18 WeakPolarHBondContact CA-O 3.28Å; S13-C18 WeakPolarHBondContact CB-O 3.47Å; S13-C18 PolarHBondContact O-N 3.44Å; S13-C18 PolarHBondContact OG-O 3.29Å; F16-C18 VanDerWaalsContact C-N 3.25Å; F16-C18 PolarHBondContact O-N 3.05Å; C18-K22 HydrophobicContact CB-CB 4.27Å
19G94.8Very high95.3Very high46 Ų4662.2 Ų62.247%0.47434%0.336SS..  trans-68.2152.2178.600000112.6K21 K22G19-K21 PolarHBondContact O-N 3.16Å; G19-K22 PolarHBondContact O-N 3.37Å
20K95.9Very high95.2Very high117 Ų11760.8 Ų60.851%0.50933%0.334SS..G310 helixtrans-49.3-29.8-179.1-63.2177.5-176.3173.20114.5K9 S13 K22 I23K9-K20 WeakPolarHBondContact CE-O 3.38Å; S13-K20 PolarHBondContact OG-N 3.3Å; K20-K22 PolarHBondContact O-N 3.45Å; K20-I23 PolarHBondContact O-N 2.83Å
21K95.5Very high95Very high184 Ų18457.5 Ų57.580%0.834%0.335SS*.G310 helixtrans-65-24.3177-170.5172.1-177.3173.70113.5G19G19-K21 PolarHBondContact O-N 3.16Å
22K96.1Very high94.9Very high50 Ų5059.4 Ų59.422%0.21735%0.348CS..G310 helixtrans-92.83.8179.5-64.7-60.1179.7-169.90113.8C18 G19 K20 R53 K54 P55 T57C18-K22 HydrophobicContact CB-CB 4.27Å; G19-K22 PolarHBondContact O-N 3.37Å; K20-K22 PolarHBondContact O-N 3.45Å; K22-R53 CarbonylContact O-C 3.47Å; K22-R53 WeakPolarHBondContact O-CA 3.38Å; K22-K54 HydrophobicContact CD-CB 4.38Å; K22-K54 WeakPolarHBondContact O-CB 3.35Å; K22-K54 PolarHBondContact O-N 3Å; K22-P55 PolarHBondContact NZ-O 2.85Å; K22-T57 PolarHBondContact NZ-OG1 3.01Å
23I96.4Very high94.8Very high1 Ų159.4 Ų59.41%0.00535%0.348CS..EExtended strand (participates in β ladder)trans-99.8125.2177.8-55.7163.4000108.1K9 A12 S13 K20 L25 I51K9-I23 HydrophobicContact CG-CB 4.32Å; K9-I23 HydrophobicContact CG-CD1 4.23Å; K9-I23 HydrophobicContact CG-CG2 4.35Å; K9-I23 WeakPolarHBondContact O-CD1 3.45Å; A12-I23 HydrophobicContact CB-CD1 3.88Å; A12-I23 HydrophobicContact CB-CG1 4.42Å; A12-I23 HydrophobicContact CB-CG2 3.85Å; S13-I23 VanDerWaalsContact CB-CD1 3.49Å; K20-I23 PolarHBondContact O-N 2.83Å; I23-L25 HydrophobicContact CG2-CD2 4.05Å; I23-L25 HydrophobicContact CG2-CG 4.46Å; I23-I51 HydrophobicContact CG2-CG2 3.72Å
24W95.7Very high94.7Very high87 Ų8762.6 Ų62.633%0.3336%0.36SS..EExtended strand (participates in β ladder)trans-102.8133.3166.2-173.879.4000108.4D26 I51 I52 K54W24-D26 HydrophobicContact CH2-CB 3.71Å; W24-D26 HydrophobicContact CZ3-CB 3.73Å; W24-I51 WeakPolarHBondContact O-CA 3.31Å; W24-I51 WeakPolarHBondContact O-CG2 3.47Å; W24-I52 HydrophobicContact CB-CB 4.27Å; W24-I52 HydrophobicContact CE3-CB 3.95Å; W24-I52 HydrophobicContact CE3-CD1 3.67Å; W24-I52 HydrophobicContact CE3-CG1 3.77Å; W24-I52 HydrophobicContact CZ3-CD1 3.69Å; W24-I52 HydrophobicContact CZ3-CG1 4.1Å; W24-I52 PolarHBondContact N-O 3.36Å; W24-I52 PolarHBondContact O-N 2.83Å; W24-K54 HydrophobicContact CB-CD 4.35Å; W24-K54 VanDerWaalsContact CB-CE 3.49Å; W24-K54 HydrophobicContact CB-CG 3.89Å
25L95.4Very high94.6Very high29 Ų2964.7 Ų64.715%0.15236%0.362CS..EExtended strand (participates in β ladder)trans-112.4133.4172.2-60.6178.8000105.7L5 K9 I23 P27 I33 I51L5-L25 HydrophobicContact CB-CD1 3.74Å; L5-L25 HydrophobicContact CD1-CD1 4.02Å; K9-L25 HydrophobicContact CB-CD1 4.16Å; I23-L25 HydrophobicContact CG2-CD2 4.05Å; I23-L25 HydrophobicContact CG2-CG 4.46Å; L25-P27 WeakPolarHBondContact O-CD 3.49Å; L25-I33 HydrophobicContact CB-CD1 4.07Å; L25-I33 HydrophobicContact CD2-CG2 4.22Å; L25-I51 HydrophobicContact CD2-CB 4.36Å; L25-I51 HydrophobicContact CD2-CD1 3.8Å; L25-I51 HydrophobicContact CD2-CG1 3.67Å; L25-I51 HydrophobicContact CD2-CG2 3.96Å
26D94.8Very high94.5Very high27 Ų2763.2 Ų63.214%0.14435%0.354CS..  trans-63.6121.8178.2-167.4-21.4000110.9W24 N28 E29 I33 L50W24-D26 HydrophobicContact CH2-CB 3.71Å; W24-D26 HydrophobicContact CZ3-CB 3.73Å; D26-N28 VanDerWaalsContact C-N 3.27Å; D26-N28 PolarHBondContact O-N 2.88Å; D26-N28 WeakPolarHBondContact OD1-CB 3.43Å; D26-N28 PolarHBondContact OD1-N 2.88Å; D26-E29 HydrophobicContact CB-CB 4.22Å; D26-I33 HydrophobicContact CB-CD1 4.16Å; D26-L50 PolarHBondContact N-O 3.22Å
27P94.1Very high94.5Very high85 Ų8567.8 Ų67.855%0.55238%0.38SS*.SBendtrans-70.2-19.817729.8-36.2000113.8L25 T30L25-P27 WeakPolarHBondContact O-CD 3.49Å; P27-T30 WeakPolarHBondContact O-CG2 3.34Å
28N93.3Very high94.5Very high138 Ų13867.3 Ų67.374%0.73837%0.365SS*.SBendtrans-82.8-35.6-179.7-61.8-23.2000111.1D26 T30D26-N28 VanDerWaalsContact C-N 3.27Å; D26-N28 PolarHBondContact O-N 2.88Å; D26-N28 WeakPolarHBondContact OD1-CB 3.43Å; D26-N28 PolarHBondContact OD1-N 2.88Å; N28-T30 VanDerWaalsContact C-N 3.34Å; N28-T30 PolarHBondContact O-N 3.34Å
29E93.2Very high94.6Very high80 Ų8073.5 Ų73.537%0.37439%0.386SS..SBendtrans-98.335.9-176.4-69.9-66.3158.800112.9D26 A31 T32 I33 L50D26-E29 HydrophobicContact CB-CB 4.22Å; E29-A31 VanDerWaalsContact C-N 3.33Å; E29-A31 PolarHBondContact O-N 3.06Å; E29-T32 PolarHBondContact O-N 3.45Å; E29-T32 WeakPolarHBondContact OE2-CB 3.17Å; E29-T32 PolarHBondContact OE2-OG1 3.48Å; E29-I33 VanDerWaalsContact O-CG1 3.3Å; E29-I33 WeakPolarHBondContact O-CG1 3.45Å; E29-I33 PolarHBondContact O-N 3.08Å; E29-L50 HydrophobicContact CB-CD1 4.36Å; E29-L50 HydrophobicContact CB-CD2 3.9Å; E29-L50 HydrophobicContact CG-CD2 3.69Å
30T93.9Very high94.7Very high50 Ų5079.2 Ų79.231%0.30740%0.398SS..Hα-helixtrans-60.7-39.6-176.549.70000112.9L5 P27 N28 I33 Q34L5-T30 HydrophobicContact CD1-CG2 4.22Å; P27-T30 WeakPolarHBondContact O-CG2 3.34Å; N28-T30 VanDerWaalsContact C-N 3.34Å; N28-T30 PolarHBondContact O-N 3.34Å; T30-I33 PolarHBondContact O-N 2.87Å; T30-Q34 VanDerWaalsContact O-CB 3.27Å; T30-Q34 WeakPolarHBondContact O-CB 3.5Å; T30-Q34 PolarHBondContact O-N 3.34Å
31A92.4Very high94.7Very high62 Ų6277.7 Ų77.751%0.51239%0.394SS..Hα-helixtrans-63.8-45.317700000111.9E29 I33 Q34 N35E29-A31 VanDerWaalsContact C-N 3.33Å; E29-A31 PolarHBondContact O-N 3.06Å; A31-I33 PolarHBondContact O-N 3.16Å; A31-Q34 PolarHBondContact O-N 3.29Å; A31-N35 PolarHBondContact O-N 3.24Å; A31-N35 PolarHBondContact O-ND2 3.03Å
32T93.4Very high94.8Very high61 Ų6168.9 Ų68.937%0.37436%0.356SS..Hα-helixtrans-61.9-43.4177.2-54.60000111.5E29 L45 L50E29-T32 PolarHBondContact O-N 3.45Å; E29-T32 WeakPolarHBondContact OE2-CB 3.17Å; E29-T32 PolarHBondContact OE2-OG1 3.48Å; T32-L45 HydrophobicContact CG2-CD2 4.07Å; T32-L50 HydrophobicContact CG2-CD1 3.78Å
33I95.3Very high94.8Very high0 Ų073.4 Ų73.40%037%0.372CS..Hα-helixtrans-67.7-40.5177.2-64.5170.7000110.9L5 Q8 L25 D26 E29 T30 A31 N35 A36 L45 L50L5-I33 HydrophobicContact CD1-CG2 4.33Å; L5-I33 HydrophobicContact CD2-CG2 4.19Å; Q8-I33 HydrophobicContact CB-CG2 4.1Å; Q8-I33 HydrophobicContact CG-CG2 4.13Å; Q8-I33 WeakPolarHBondContact CG-O 3.26Å; L25-I33 HydrophobicContact CB-CD1 4.07Å; L25-I33 HydrophobicContact CD2-CG2 4.22Å; D26-I33 HydrophobicContact CB-CD1 4.16Å; E29-I33 VanDerWaalsContact O-CG1 3.3Å; E29-I33 WeakPolarHBondContact O-CG1 3.45Å; E29-I33 PolarHBondContact O-N 3.08Å; T30-I33 PolarHBondContact O-N 2.87Å; A31-I33 PolarHBondContact O-N 3.16Å; I33-N35 VanDerWaalsContact C-N 3.26Å; I33-N35 PolarHBondContact O-N 3.44Å; I33-A36 WeakPolarHBondContact O-CB 3.21Å; I33-A36 PolarHBondContact O-N 2.88Å; I33-L45 HydrophobicContact CB-CD1 4.45Å; I33-L45 HydrophobicContact CG1-CD1 4.22Å; I33-L45 HydrophobicContact CG2-CD1 4.5Å; I33-L50 HydrophobicContact CG1-CB 4.49Å
34Q94.1Very high94.8Very high89 Ų8980 Ų8042%0.41640%0.4SS..Hα-helixtrans-57.8-39.7-179.8179.4172.7-24.400112L5 Q8 T30 A31 A36L5-Q34 HydrophobicContact CD2-CB 3.99Å; Q8-Q34 PolarHBondContact NE2-O 3.49Å; T30-Q34 VanDerWaalsContact O-CB 3.27Å; T30-Q34 WeakPolarHBondContact O-CB 3.5Å; T30-Q34 PolarHBondContact O-N 3.34Å; A31-Q34 PolarHBondContact O-N 3.29Å; Q34-A36 PolarHBondContact O-N 3.02Å
35N92.8Very high94.8Very high108 Ų10876.4 Ų76.458%0.57839%0.387SS*.THydrogen-bonded Turntrans-69.4-9.6179.6-67.5-19.6000113.9A31 I33 N37 M41A31-N35 PolarHBondContact O-N 3.24Å; A31-N35 PolarHBondContact O-ND2 3.03Å; I33-N35 VanDerWaalsContact C-N 3.26Å; I33-N35 PolarHBondContact O-N 3.44Å; N35-N37 PolarHBondContact O-N 3.41Å; N35-N37 VanDerWaalsContact O-N 3.16Å; N35-M41 VanDerWaalsContact O-CE 3.28Å; N35-M41 WeakPolarHBondContact O-CE 3.47Å
36A94.2Very high94.8Very high1 Ų179.4 Ų79.41%0.00840%0.399CS..  trans-83.988.3-179.200000113.8I33 Q34 M41 I42 L45I33-A36 WeakPolarHBondContact O-CB 3.21Å; I33-A36 PolarHBondContact O-N 2.88Å; Q34-A36 PolarHBondContact O-N 3.02Å; A36-M41 HydrophobicContact CB-CB 3.77Å; A36-M41 HydrophobicContact CB-CE 4.34Å; A36-I42 HydrophobicContact CB-CD1 4.01Å; A36-L45 HydrophobicContact CB-CD1 3.42Å; A36-L45 VanDerWaalsContact CB-CD1 3.42Å; A36-L45 HydrophobicContact CB-CG 4.36Å
37N93.8Very high94.8Very high126 Ų12686.4 Ų86.467%0.67443%0.428SS*.  trans-91.1-14.9-177.1-64.2-34.8000114.7N35N35-N37 PolarHBondContact O-N 3.41Å; N35-N37 VanDerWaalsContact O-N 3.16Å
38S95.3Very high94.8Very high59 Ų5986.1 Ų86.141%0.41342%0.422SS..SBendtrans-111.5149.5-177.4174.50000112.7K40 M41 I42S38-K40 PolarHBondContact O-N 2.84Å; S38-K40 VanDerWaalsContact O-N 3.16Å; S38-K40 PolarHBondContact OG-N 2.84Å; S38-M41 PolarHBondContact O-N 3.39Å; S38-I42 WeakPolarHBondContact O-CG1 3.44Å; S38-I42 PolarHBondContact O-N 3.08Å
39R96.4Very high94.9Very high143 Ų14384.8 Ų84.854%0.5442%0.415SS..Hα-helixtrans-54.5-32.3170.4-66.4-177.1-175.3174.82.1112.1L11 V15 I42 R43L11-R39 HydrophobicContact CD2-CG 4.11Å; V15-R39 HydrophobicContact CG2-CB 3.78Å; V15-R39 HydrophobicContact CG2-CG 3.83Å; R39-I42 PolarHBondContact O-N 3.4Å; R39-R43 WeakPolarHBondContact O-CG 3.5Å; R39-R43 PolarHBondContact O-N 3.13Å; R39-R43 VanDerWaalsContact O-N 3.08Å
40K96.3Very high95Very high166 Ų16682.4 Ų82.472%0.72241%0.405SS*.Hα-helixtrans-63.7-43.6175.7-174179.9177.8-177.80111.4S38 R43 K44S38-K40 PolarHBondContact O-N 2.84Å; S38-K40 VanDerWaalsContact O-N 3.16Å; S38-K40 PolarHBondContact OG-N 2.84Å; K40-R43 PolarHBondContact O-N 3.02Å; K40-K44 PolarHBondContact O-N 3.4Å; K40-K44 VanDerWaalsContact O-N 3.15Å
41M96.4Very high95Very high85 Ų8580 Ų8042%0.41939%0.39SS..Hα-helixtrans-67.8-40.9177.2-64.2178.977.100111.6N35 A36 S38 R43 K44 L45N35-M41 VanDerWaalsContact O-CE 3.28Å; N35-M41 WeakPolarHBondContact O-CE 3.47Å; A36-M41 HydrophobicContact CB-CB 3.77Å; A36-M41 HydrophobicContact CB-CE 4.34Å; S38-M41 PolarHBondContact O-N 3.39Å; M41-R43 VanDerWaalsContact C-N 3.27Å; M41-R43 PolarHBondContact O-N 3.08Å; M41-K44 WeakPolarHBondContact O-CA 3.4Å; M41-K44 WeakPolarHBondContact O-CB 3.43Å; M41-K44 PolarHBondContact O-N 3.41Å; M41-L45 WeakPolarHBondContact O-CG 3.49Å; M41-L45 PolarHBondContact O-N 3.41Å
42I96.9Very high95.2Very high0 Ų080.4 Ų80.40%038%0.383CS..Hα-helixtrans-59.6-37174.8-63-66.7000112Q8 L11 A12 V15 F16 A36 S38 R39 L45 F46 I51Q8-I42 HydrophobicContact CB-CD1 4.11Å; Q8-I42 HydrophobicContact CG-CD1 4.34Å; L11-I42 HydrophobicContact CB-CD1 4.42Å; L11-I42 HydrophobicContact CB-CG1 3.92Å; L11-I42 HydrophobicContact CD1-CG1 4.37Å; A12-I42 HydrophobicContact CB-CG2 3.82Å; V15-I42 HydrophobicContact CB-CG2 4.38Å; V15-I42 HydrophobicContact CG2-CG2 4.35Å; F16-I42 HydrophobicContact CZ-CG2 4.34Å; A36-I42 HydrophobicContact CB-CD1 4.01Å; S38-I42 WeakPolarHBondContact O-CG1 3.44Å; S38-I42 PolarHBondContact O-N 3.08Å; R39-I42 PolarHBondContact O-N 3.4Å; I42-L45 HydrophobicContact CD1-CD1 4.42Å; I42-L45 PolarHBondContact O-N 3.25Å; I42-F46 PolarHBondContact O-N 3.02Å; I42-F46 VanDerWaalsContact O-N 3.09Å; I42-I51 HydrophobicContact CD1-CD1 3.9Å; I42-I51 HydrophobicContact CG2-CD1 4.25Å
43R96.4Very high95.2Very high145 Ų14583.7 Ų83.755%0.54739%0.388SS..Hα-helixtrans-66.1-36172.5-70.8179.1-172.9124.1-3.8112.6V15 R39 K40 M41 F46 K47V15-R43 HydrophobicContact CG1-CG 3.44Å; V15-R43 VanDerWaalsContact CG1-CG 3.44Å; R39-R43 WeakPolarHBondContact O-CG 3.5Å; R39-R43 PolarHBondContact O-N 3.13Å; R39-R43 VanDerWaalsContact O-N 3.08Å; K40-R43 PolarHBondContact O-N 3.02Å; M41-R43 VanDerWaalsContact C-N 3.27Å; M41-R43 PolarHBondContact O-N 3.08Å; R43-F46 WeakPolarHBondContact O-CB 3.47Å; R43-F46 PolarHBondContact O-N 2.92Å; R43-K47 PolarHBondContact O-N 2.99Å
44K96.3Very high95.2Very high140 Ų14088.1 Ų88.161%0.60941%0.408SS*.Hα-helixtrans-64-50.3173.7-172.8-175.6174.1-174.40110.6K40 M41 F46 K47 D48K40-K44 PolarHBondContact O-N 3.4Å; K40-K44 VanDerWaalsContact O-N 3.15Å; M41-K44 WeakPolarHBondContact O-CA 3.4Å; M41-K44 WeakPolarHBondContact O-CB 3.43Å; M41-K44 PolarHBondContact O-N 3.41Å; K44-F46 PolarHBondContact O-N 3.08Å; K44-K47 WeakPolarHBondContact O-CA 3.4Å; K44-K47 WeakPolarHBondContact O-CB 3.36Å; K44-K47 PolarHBondContact O-N 2.93Å; K44-D48 WeakPolarHBondContact CG-OD2 3.4Å; K44-D48 VanDerWaalsContact O-CG 3.31Å; K44-D48 PolarHBondContact O-N 3.23Å
45L95.8Very high95.3Very high11 Ų1189.2 Ų89.26%0.05842%0.423CS..Hα-helixtrans-59.6-29.4177.4-64.7178.8000113.7T32 I33 A36 M41 I42 N49 L50 I51T32-L45 HydrophobicContact CG2-CD2 4.07Å; I33-L45 HydrophobicContact CB-CD1 4.45Å; I33-L45 HydrophobicContact CG1-CD1 4.22Å; I33-L45 HydrophobicContact CG2-CD1 4.5Å; A36-L45 HydrophobicContact CB-CD1 3.42Å; A36-L45 VanDerWaalsContact CB-CD1 3.42Å; A36-L45 HydrophobicContact CB-CG 4.36Å; M41-L45 WeakPolarHBondContact O-CG 3.49Å; M41-L45 PolarHBondContact O-N 3.41Å; I42-L45 HydrophobicContact CD1-CD1 4.42Å; I42-L45 PolarHBondContact O-N 3.25Å; L45-N49 PolarHBondContact O-N 2.96Å; L45-L50 HydrophobicContact CB-CB 4.34Å; L45-L50 HydrophobicContact CD2-CB 4.23Å; L45-L50 HydrophobicContact CD2-CD1 3.59Å; L45-L50 HydrophobicContact CD2-CG 4.45Å; L45-L50 PolarHBondContact O-N 3.17Å; L45-I51 HydrophobicContact CB-CD1 3.86Å; L45-I51 HydrophobicContact CB-CG1 3.9Å; L45-I51 HydrophobicContact CD1-CD1 3.79Å; L45-I51 HydrophobicContact CD1-CG1 4.32Å; L45-I51 PolarHBondContact O-N 3.11Å
46F94.6Very high95.4Very high92 Ų9289.1 Ų89.140%0.40443%0.426SS..Hα-helixtrans-67.8-43171.7-177.7-106000112.5F16 I42 R43 K44 D48 N49 I51 R53F16-F46 HydrophobicContact CD1-CD2 4.08Å; F16-F46 HydrophobicContact CD1-CE2 4.43Å; F16-F46 HydrophobicContact CD1-CG 4.27Å; F16-F46 HydrophobicContact CD2-CD2 4.49Å; F16-F46 HydrophobicContact CE1-CB 3.51Å; F16-F46 HydrophobicContact CE1-CD1 4.17Å; F16-F46 AromaticContact CE1-CD2 3.4Å; F16-F46 HydrophobicContact CE1-CD2 3.4Å; F16-F46 VanDerWaalsContact CE1-CD2 3.4Å; F16-F46 HydrophobicContact CE1-CE2 4.17Å; F16-F46 AromaticContact CE1-CG 3.4Å; F16-F46 HydrophobicContact CE1-CG 3.4Å; F16-F46 VanDerWaalsContact CE1-CG 3.4Å; F16-F46 AromaticContact CE2-CD2 3.87Å; F16-F46 HydrophobicContact CE2-CD2 3.87Å; F16-F46 HydrophobicContact CE2-CE2 4.5Å; F16-F46 HydrophobicContact CZ-CB 3.54Å; F16-F46 AromaticContact CZ-CD2 3.3Å; F16-F46 HydrophobicContact CZ-CD2 3.3Å; F16-F46 HydrophobicContact CZ-CE2 4.23Å; F16-F46 AromaticContact CZ-CG 3.63Å; F16-F46 HydrophobicContact CZ-CG 3.63Å; I42-F46 PolarHBondContact O-N 3.02Å; I42-F46 VanDerWaalsContact O-N 3.09Å; R43-F46 WeakPolarHBondContact O-CB 3.47Å; R43-F46 PolarHBondContact O-N 2.92Å; K44-F46 PolarHBondContact O-N 3.08Å; F46-D48 VanDerWaalsContact C-N 3.28Å; F46-N49 PolarHBondContact O-N 3.2Å; F46-I51 VanDerWaalsContact CD2-O 3.27Å; F46-I51 WeakPolarHBondContact CD2-O 3.42Å; F46-R53 HydrophobicContact CE2-CB 4.28Å
47K95.3Very high95.4Very high173 Ų17393.4 Ų93.475%0.75245%0.452SS*.Hα-helixtrans-66-35.8177.8-168.6179.9180-175.40111.2R43 K44 N49R43-K47 PolarHBondContact O-N 2.99Å; K44-K47 WeakPolarHBondContact O-CA 3.4Å; K44-K47 WeakPolarHBondContact O-CB 3.36Å; K44-K47 PolarHBondContact O-N 2.93Å; K47-N49 PolarHBondContact O-N 2.94Å
48D95Very high95.5Very high79 Ų7993.6 Ų93.642%0.42246%0.457SS..THydrogen-bonded Turntrans-81.64.7177.9-55.8-16.6000112.5K44 F46 L50K44-D48 WeakPolarHBondContact CG-OD2 3.4Å; K44-D48 VanDerWaalsContact O-CG 3.31Å; K44-D48 PolarHBondContact O-N 3.23Å; F46-D48 VanDerWaalsContact C-N 3.28Å; D48-L50 HydrophobicContact CB-CG 4.36Å; D48-L50 PolarHBondContact O-N 3.3Å; D48-L50 VanDerWaalsContact O-N 3.16Å
49N94.3Very high95.6Very high111 Ų11198.7 Ų98.759%0.59447%0.474SS*.THydrogen-bonded Turntrans61.212.2-179.1-59.7-54.9000116.7L45 F46 K47 I51 I52L45-N49 PolarHBondContact O-N 2.96Å; F46-N49 PolarHBondContact O-N 3.2Å; K47-N49 PolarHBondContact O-N 2.94Å; N49-I51 VanDerWaalsContact C-N 3.3Å; N49-I52 WeakPolarHBondContact O-CG1 3.41Å
50L95Very high95.6Very high29 Ų2996 Ų9615%0.15248%0.477CS..SBendtrans-73.9-23.7174.5-60.2-176000112.9D26 E29 T32 I33 L45 D48D26-L50 PolarHBondContact N-O 3.22Å; E29-L50 HydrophobicContact CB-CD1 4.36Å; E29-L50 HydrophobicContact CB-CD2 3.9Å; E29-L50 HydrophobicContact CG-CD2 3.69Å; T32-L50 HydrophobicContact CG2-CD1 3.78Å; I33-L50 HydrophobicContact CG1-CB 4.49Å; L45-L50 HydrophobicContact CB-CB 4.34Å; L45-L50 HydrophobicContact CD2-CB 4.23Å; L45-L50 HydrophobicContact CD2-CD1 3.59Å; L45-L50 HydrophobicContact CD2-CG 4.45Å; L45-L50 PolarHBondContact O-N 3.17Å; D48-L50 HydrophobicContact CB-CG 4.36Å; D48-L50 PolarHBondContact O-N 3.3Å; D48-L50 VanDerWaalsContact O-N 3.16Å
51I95.4Very high95.6Very high0 Ų095.8 Ų95.80%047%0.472CS..EExtended strand (participates in β ladder)trans-122.3117.6170.5-56.7-178.1000108.5A12 F16 I23 W24 L25 I42 L45 F46 N49A12-I51 HydrophobicContact CB-CD1 4.47Å; A12-I51 HydrophobicContact CB-CG2 4.07Å; F16-I51 HydrophobicContact CE2-CB 4.49Å; F16-I51 HydrophobicContact CE2-CG2 3.51Å; F16-I51 HydrophobicContact CZ-CB 4.41Å; F16-I51 HydrophobicContact CZ-CG2 3.87Å; I23-I51 HydrophobicContact CG2-CG2 3.72Å; W24-I51 WeakPolarHBondContact O-CA 3.31Å; W24-I51 WeakPolarHBondContact O-CG2 3.47Å; L25-I51 HydrophobicContact CD2-CB 4.36Å; L25-I51 HydrophobicContact CD2-CD1 3.8Å; L25-I51 HydrophobicContact CD2-CG1 3.67Å; L25-I51 HydrophobicContact CD2-CG2 3.96Å; I42-I51 HydrophobicContact CD1-CD1 3.9Å; I42-I51 HydrophobicContact CG2-CD1 4.25Å; L45-I51 HydrophobicContact CB-CD1 3.86Å; L45-I51 HydrophobicContact CB-CG1 3.9Å; L45-I51 HydrophobicContact CD1-CD1 3.79Å; L45-I51 HydrophobicContact CD1-CG1 4.32Å; L45-I51 PolarHBondContact O-N 3.11Å; F46-I51 VanDerWaalsContact CD2-O 3.27Å; F46-I51 WeakPolarHBondContact CD2-O 3.42Å; N49-I51 VanDerWaalsContact C-N 3.3Å
52I95.1Very high95.6Very high70 Ų7095 Ų9536%0.35948%0.475SS..EExtended strand (participates in β ladder)trans-112.1135.9-176.2-57.7175.7000110.5W24 N49 K54W24-I52 HydrophobicContact CB-CB 4.27Å; W24-I52 HydrophobicContact CE3-CB 3.95Å; W24-I52 HydrophobicContact CE3-CD1 3.67Å; W24-I52 HydrophobicContact CE3-CG1 3.77Å; W24-I52 HydrophobicContact CZ3-CD1 3.69Å; W24-I52 HydrophobicContact CZ3-CG1 4.1Å; W24-I52 PolarHBondContact N-O 3.36Å; W24-I52 PolarHBondContact O-N 2.83Å; N49-I52 WeakPolarHBondContact O-CG1 3.41Å; I52-K54 PolarHBondContact O-N 2.83Å
53R94.8Very high95.7Very high131 Ų131105.1 Ų105.149%0.49451%0.513SS..EExtended strand (participates in β ladder)trans-78.2103.9165.5-179.1177.7172.8167.2-2.6108.8K22 F46K22-R53 CarbonylContact O-C 3.47Å; K22-R53 WeakPolarHBondContact O-CA 3.38Å; F46-R53 HydrophobicContact CE2-CB 4.28Å
54K95.1Very high95.7Very high93 Ų93101.3 Ų101.340%0.40451%0.508SS..PPolyproline II helixtrans-55138.2173.3-60.9-173-179.8-171.90109.8K22 W24 I52K22-K54 HydrophobicContact CD-CB 4.38Å; K22-K54 WeakPolarHBondContact O-CB 3.35Å; K22-K54 PolarHBondContact O-N 3Å; W24-K54 HydrophobicContact CB-CD 4.35Å; W24-K54 VanDerWaalsContact CB-CE 3.49Å; W24-K54 HydrophobicContact CB-CG 3.89Å; I52-K54 PolarHBondContact O-N 2.83Å
55P95.3Very high95.8Very high112 Ų112102.5 Ų102.573%0.72751%0.508SS*.PPolyproline II helixtrans-60.3158.9175.524.8-33.3000111.8K22K22-P55 PolarHBondContact NZ-O 2.85Å
56V95.1Very high95.9Very high106 Ų106110 Ų11064%0.64254%0.541SS*.PPolyproline II helixtrans-66.3142.3173.2-1780000108.6V58V56-V58 PolarHBondContact O-N 3.11Å
57T94.5Very high96.1Very high90 Ų90109.1 Ų109.155%0.55254%0.54SS*.PPolyproline II helixtrans-68.2123.3175.9-55.70000107.9K22 H59K22-T57 PolarHBondContact NZ-OG1 3.01Å; T57-H59 PolarHBondContact O-CD2 3.39Å; T57-H59 VanDerWaalsContact O-CD2 3.24Å; T57-H59 PolarHBondContact O-N 3.28Å
58V95.6Very high96.2Very high130 Ų130104.6 Ų104.679%0.78852%0.523SS*.PPolyproline II helixtrans-73.9119.2-173.1179.80000110.4V56V56-V58 PolarHBondContact O-N 3.11Å
59H97.1Very high96.3Very high167 Ų167105 Ų10577%0.77353%0.525SS*.  trans-101.290.5169.4-69.7-93000109.8T57 R61T57-H59 PolarHBondContact O-CD2 3.39Å; T57-H59 VanDerWaalsContact O-CD2 3.24Å; T57-H59 PolarHBondContact O-N 3.28Å; H59-R61 PolarHBondContact O-N 2.98Å
60S96.5Very high96.5Very high85 Ų85101 Ų10159%0.59451%0.507SS*.  trans-65.9132.5-177.5-177.10000112.5S62S60-S62 PolarHBondContact OG-N 3.41Å; S60-S62 PolarHBondContact OG-OG 3.1Å
61R97Very high96.6Very high162 Ų162106.2 Ų106.261%0.61152%0.524SS*.  trans-93.16.8174.4-64.4-168.668.3117.92113.7H59 R63 C64 R65H59-R61 PolarHBondContact O-N 2.98Å; R61-R63 PolarHBondContact O-N 2.93Å; R61-C64 WeakPolarHBondContact O-CB 3.46Å; R61-C64 PolarHBondContact O-N 2.82Å; R61-R65 WeakPolarHBondContact O-CG 3.4Å; R61-R65 PolarHBondContact O-N 3.22Å
62S97.1Very high96.7Very high69 Ų69115.1 Ų115.148%0.48356%0.558SS.*Hα-helixtrans-54.9-48-176.861.70000112.4S60 C64 R65 K66S60-S62 PolarHBondContact OG-N 3.41Å; S60-S62 PolarHBondContact OG-OG 3.1Å; S62-C64 PolarHBondContact O-N 3.39Å; S62-R65 PolarHBondContact O-N 2.94Å; S62-K66 PolarHBondContact O-N 2.84Å
63R97.8Very high96.8Very high213 Ų213119.7 Ų119.780%0.80458%0.575SS**Hα-helixtrans-61.9-43.4177.5-67.5-171-74.1173.6-4.1112.6R61 R65 K66 N67R61-R63 PolarHBondContact O-N 2.93Å; R63-R65 PolarHBondContact O-N 3.43Å; R63-K66 PolarHBondContact O-N 2.85Å; R63-N67 WeakPolarHBondContact O-CB 3.38Å; R63-N67 PolarHBondContact O-N 3.17Å
64C97.7Very high96.9Very high65 Ų65115.7 Ų115.744%0.43958%0.575SS.*Hα-helixtrans-61.4-43.3176.3176.90000111.6R61 S62 N67 L68R61-C64 WeakPolarHBondContact O-CB 3.46Å; R61-C64 PolarHBondContact O-N 2.82Å; S62-C64 PolarHBondContact O-N 3.39Å; C64-N67 PolarHBondContact O-N 3.02Å; C64-L68 WeakPolarHBondContact O-CB 3.38Å; C64-L68 PolarHBondContact O-N 3.37Å
65R97.9Very high97Very high164 Ų164119.4 Ų119.462%0.61959%0.586SS**Hα-helixtrans-65.7-44.3176.7-69.3176.8-175.4158.50.6112R61 S62 R63 N67 L68 I69R61-R65 WeakPolarHBondContact O-CG 3.4Å; R61-R65 PolarHBondContact O-N 3.22Å; S62-R65 PolarHBondContact O-N 2.94Å; R63-R65 PolarHBondContact O-N 3.43Å; R65-N67 VanDerWaalsContact C-N 3.33Å; R65-N67 PolarHBondContact O-N 3.48Å; R65-L68 PolarHBondContact O-N 3.39Å; R65-I69 WeakPolarHBondContact O-CG1 3.49Å; R65-I69 PolarHBondContact O-N 2.95Å
66K98Very high97Very high170 Ų170119.1 Ų119.174%0.73958%0.575SS**Hα-helixtrans-56.8-46.6174.9-173.7176.7-179.6177.20111.1S62 R63 I69 A70S62-K66 PolarHBondContact O-N 2.84Å; R63-K66 PolarHBondContact O-N 2.85Å; K66-I69 PolarHBondContact O-N 3.43Å; K66-A70 PolarHBondContact O-N 2.95Å
67N97.9Very high97Very high73 Ų73116.2 Ų116.239%0.3956%0.56SS.*Hα-helixtrans-65-41.2176.3-17110.9000112.2R63 C64 R65 I69 A70 R71 H76R63-N67 WeakPolarHBondContact O-CB 3.38Å; R63-N67 PolarHBondContact O-N 3.17Å; C64-N67 PolarHBondContact O-N 3.02Å; R65-N67 VanDerWaalsContact C-N 3.33Å; R65-N67 PolarHBondContact O-N 3.48Å; N67-I69 VanDerWaalsContact C-N 3.33Å; N67-I69 PolarHBondContact O-N 3.04Å; N67-A70 PolarHBondContact O-N 2.96Å; N67-R71 WeakPolarHBondContact O-CB 3.47Å; N67-R71 WeakPolarHBondContact O-CG 3.38Å; N67-R71 PolarHBondContact O-N 2.93Å; N67-H76 PolarHBondContact OD1-CD2 3.48Å
68L97.7Very high97.1Very high77 Ų77114 Ų11440%0.40356%0.555SS.*Hα-helixtrans-61-41176.3-178.560.8000112.1C64 R65 R71 R72C64-L68 WeakPolarHBondContact O-CB 3.38Å; C64-L68 PolarHBondContact O-N 3.37Å; R65-L68 PolarHBondContact O-N 3.39Å; L68-R71 PolarHBondContact O-N 3.27Å; L68-R72 WeakPolarHBondContact O-CG 3.5Å; L68-R72 PolarHBondContact O-N 2.8Å
69I97.8Very high97.1Very high89 Ų89113.4 Ų113.446%0.45655%0.551SS.*Hα-helixtrans-64.1-45174.9-66164.3000110.4R65 K66 N67 R71 R72 K73R65-I69 WeakPolarHBondContact O-CG1 3.49Å; R65-I69 PolarHBondContact O-N 2.95Å; K66-I69 PolarHBondContact O-N 3.43Å; N67-I69 VanDerWaalsContact C-N 3.33Å; N67-I69 PolarHBondContact O-N 3.04Å; I69-R71 VanDerWaalsContact C-N 3.35Å; I69-R71 PolarHBondContact O-N 2.95Å; I69-R72 PolarHBondContact O-N 3.41Å; I69-K73 PolarHBondContact O-N 3.39Å; I69-K73 VanDerWaalsContact O-N 3.14Å
70A98Very high97.2Very high25 Ų25108.6 Ų108.621%0.20755%0.547CS..Hα-helixtrans-60.3-42.6175.300000112.1K66 N67 R72 K73 G74 R75K66-A70 PolarHBondContact O-N 2.95Å; N67-A70 PolarHBondContact O-N 2.96Å; A70-R72 PolarHBondContact O-N 3.34Å; A70-K73 WeakPolarHBondContact O-CB 3.39Å; A70-K73 PolarHBondContact O-N 2.9Å; A70-G74 PolarHBondContact O-N 3.01Å; A70-R75 HydrophobicContact CB-CB 4.3Å; A70-R75 VanDerWaalsContact O-CB 3.28Å; A70-R75 WeakPolarHBondContact O-CB 3.28Å; A70-R75 WeakPolarHBondContact O-CG 3.44Å; A70-R75 PolarHBondContact O-N 2.93Å
71R97.6Very high97.2Very high139 Ų139111.8 Ų111.853%0.52555%0.551SS.*Hα-helixtrans-63.1-37.7175.1-73.3-178.869.5-174.1-0.3112.7N67 L68 I69 K73 G74 R75 H76N67-R71 WeakPolarHBondContact O-CB 3.47Å; N67-R71 WeakPolarHBondContact O-CG 3.38Å; N67-R71 PolarHBondContact O-N 2.93Å; L68-R71 PolarHBondContact O-N 3.27Å; I69-R71 VanDerWaalsContact C-N 3.35Å; I69-R71 PolarHBondContact O-N 2.95Å; R71-K73 VanDerWaalsContact C-N 3.29Å; R71-K73 PolarHBondContact O-N 3.44Å; R71-G74 WeakPolarHBondContact O-CA 3.46Å; R71-G74 PolarHBondContact O-N 2.99Å; R71-R75 WeakPolarHBondContact CA-O 3.39Å; R71-H76 HydrophobicContact CG-CB 4.25Å
72R96.8Very high97.1Very high188 Ų188110.3 Ų110.371%0.70955%0.545SS*.Hα-helixtrans-64.1-32.6174-74.5173.7-175.9161.3-1.1112.6L68 I69 A70 G74L68-R72 WeakPolarHBondContact O-CG 3.5Å; L68-R72 PolarHBondContact O-N 2.8Å; I69-R72 PolarHBondContact O-N 3.41Å; A70-R72 PolarHBondContact O-N 3.34Å; R72-G74 PolarHBondContact O-N 3.32Å
73K97.4Very high97.1Very high165 Ų165115.6 Ų115.672%0.71756%0.559SS**THydrogen-bonded Turntrans-743.4170.8-63.3-178.6177.9-172.30113.5I69 A70 R71I69-K73 PolarHBondContact O-N 3.39Å; I69-K73 VanDerWaalsContact O-N 3.14Å; A70-K73 WeakPolarHBondContact O-CB 3.39Å; A70-K73 PolarHBondContact O-N 2.9Å; R71-K73 VanDerWaalsContact C-N 3.29Å; R71-K73 PolarHBondContact O-N 3.44Å
74G96.9Very high97Very high48 Ų48108.4 Ų108.450%0.49555%0.551SS.*THydrogen-bonded Turntrans890.7-179.600000115.2A70 R71 R72A70-G74 PolarHBondContact O-N 3.01Å; R71-G74 WeakPolarHBondContact O-CA 3.46Å; R71-G74 PolarHBondContact O-N 2.99Å; R72-G74 PolarHBondContact O-N 3.32Å
75R96.7Very high97Very high170 Ų170109.9 Ų109.964%0.64256%0.559SS**THydrogen-bonded Turntrans-71.3160.1177-50.4-59.6-176.2179.50.1111A70 R71 S77A70-R75 HydrophobicContact CB-CB 4.3Å; A70-R75 VanDerWaalsContact O-CB 3.28Å; A70-R75 WeakPolarHBondContact O-CB 3.28Å; A70-R75 WeakPolarHBondContact O-CG 3.44Å; A70-R75 PolarHBondContact O-N 2.93Å; R71-R75 WeakPolarHBondContact CA-O 3.39Å; R75-S77 PolarHBondContact O-N 3.37Å; R75-S77 VanDerWaalsContact O-N 3.13Å; R75-S77 PolarHBondContact O-OG 3.41Å
76H96.4Very high96.9Very high107 Ų107106.1 Ų106.150%0.49556%0.562SS.*THydrogen-bonded Turntrans56.224.4179.6-45-68.9000115.8N67 R71 K81N67-H76 PolarHBondContact OD1-CD2 3.48Å; R71-H76 HydrophobicContact CG-CB 4.25Å; H76-K81 WeakPolarHBondContact O-CB 3.49Å
77S95Very high96.9Very high45 Ų45101.8 Ų101.832%0.31555%0.547SS..  trans-113.66.1-177.6-59.70000114.3R75 R82R75-S77 PolarHBondContact O-N 3.37Å; R75-S77 VanDerWaalsContact O-N 3.13Å; R75-S77 PolarHBondContact O-OG 3.41Å; S77-R82 PolarHBondContact O-NE 2.89Å; S77-R82 VanDerWaalsContact O-NE 3.07Å; S77-R82 PolarHBondContact O-NH2 2.83Å; S77-R82 VanDerWaalsContact O-NH2 3.14Å
78G96Very high96.9Very high43 Ų43101.9 Ų101.944%0.44356%0.558SS.*SBendtrans-66.6167.4177.100000113.4G80 K81 R82G78-G80 VanDerWaalsContact C-N 3.34Å; G78-G80 PolarHBondContact O-N 2.93Å; G78-K81 PolarHBondContact O-N 3.3Å; G78-R82 WeakPolarHBondContact O-CG 3.4Å
79T96.9Very high96.8Very high117 Ų117103.8 Ų103.872%0.71856%0.56SS**G310 helixtrans-52.5-45.8-175.147.10000113K81 R82T79-K81 PolarHBondContact O-N 2.89Å; T79-K81 VanDerWaalsContact O-N 3.12Å; T79-R82 WeakPolarHBondContact O-CB 3.4Å; T79-R82 PolarHBondContact O-N 3.48Å
80G97.3Very high96.7Very high67 Ų67103.5 Ų103.569%0.69156%0.558SS**G310 helixtrans-65-14.9179.400000115.8G78G78-G80 VanDerWaalsContact C-N 3.34Å; G78-G80 PolarHBondContact O-N 2.93Å
81K96.7Very high96.7Very high152 Ų152104.7 Ų104.766%0.66156%0.563SS**G310 helixtrans-97.4-4.4174.7-62.2-57-176-171.10113H76 G78 T79H76-K81 WeakPolarHBondContact O-CB 3.49Å; G78-K81 PolarHBondContact O-N 3.3Å; T79-K81 PolarHBondContact O-N 2.89Å; T79-K81 VanDerWaalsContact O-N 3.12Å
82R96.4Very high96.7Very high131 Ų131105.1 Ų105.149%0.49457%0.571SS.*  trans-84.9125.1179.8-60.8175.5-170.2179.11.4108.7S77 G78 T79S77-R82 PolarHBondContact O-NE 2.89Å; S77-R82 VanDerWaalsContact O-NE 3.07Å; S77-R82 PolarHBondContact O-NH2 2.83Å; S77-R82 VanDerWaalsContact O-NH2 3.14Å; G78-R82 WeakPolarHBondContact O-CG 3.4Å; T79-R82 WeakPolarHBondContact O-CB 3.4Å; T79-R82 PolarHBondContact O-N 3.48Å
83K95.5Very high96.7Very high179 Ų179103.8 Ų103.878%0.77857%0.571SS**  trans-118.1141.1165.9-58.3-65.3-176.2177.20106.9
84G96.4Very high96.7Very high62 Ų6298 Ų9864%0.63955%0.549SS*.SBendtrans83.9160.9-172.500000114.5
85T97.2Very high96.7Very high97 Ų97100 Ų10060%0.59555%0.548SS*.  trans-69.8164.4179.963.70000112D87 A88 R89T85-D87 VanDerWaalsContact C-N 3.29Å; T85-D87 PolarHBondContact O-N 3.27Å; T85-A88 PolarHBondContact O-N 3.11Å; T85-A88 WeakPolarHBondContact OG1-CB 3.42Å; T85-A88 PolarHBondContact OG1-N 3.36Å; T85-R89 WeakPolarHBondContact O-CG 3.3Å; T85-R89 PolarHBondContact O-N 2.92Å
86A96.6Very high96.7Very high84 Ų8497.7 Ų97.769%0.69454%0.539SS*.Hα-helixtrans-59.6-41178.400000112.2R89 M90A86-R89 PolarHBondContact O-N 3.41Å; A86-M90 PolarHBondContact O-N 3.37Å
87D97.7Very high96.7Very high80 Ų8095.5 Ų95.543%0.42853%0.53SS..Hα-helixtrans-67.7-39.4179.2-164.559.5000112T85 R89 M90 P91 Q92T85-D87 VanDerWaalsContact C-N 3.29Å; T85-D87 PolarHBondContact O-N 3.27Å; D87-R89 VanDerWaalsContact C-N 3.29Å; D87-R89 PolarHBondContact O-N 3.43Å; D87-M90 CarbonylContact O-C 3.51Å; D87-M90 PolarHBondContact O-N 2.98Å; D87-P91 WeakPolarHBondContact O-CA 3.43Å; D87-P91 VanDerWaalsContact O-CD 3.31Å; D87-P91 WeakPolarHBondContact O-CD 3.48Å; D87-P91 WeakPolarHBondContact O-CG 3.5Å; D87-P91 WeakPolarHBondContact OD1-CA 3.46Å; D87-Q92 WeakPolarHBondContact OD1-CG 3.4Å; D87-Q92 PolarHBondContact OD1-N 3.25Å
88A97.3Very high96.8Very high74 Ų74100.5 Ų100.561%0.61254%0.542SS*.Hα-helixtrans-62.5-35.3174.200000112.7T85T85-A88 PolarHBondContact O-N 3.11Å; T85-A88 WeakPolarHBondContact OG1-CB 3.42Å; T85-A88 PolarHBondContact OG1-N 3.36Å
89R96.6Very high96.8Very high117 Ų117101.8 Ų101.844%0.44253%0.533SS..Hα-helixtrans-76.5-38.8178.9-67170.159.579.42.8112.5T85 A86 D87T85-R89 WeakPolarHBondContact O-CG 3.3Å; T85-R89 PolarHBondContact O-N 2.92Å; A86-R89 PolarHBondContact O-N 3.41Å; D87-R89 VanDerWaalsContact C-N 3.29Å; D87-R89 PolarHBondContact O-N 3.43Å
90M95.9Very high96.9Very high84 Ų8496.4 Ų96.441%0.41450%0.5SS..SBendtrans-149.494.3179.4-81-57.8-58.800109.6A86 D87 Q92 L95A86-M90 PolarHBondContact O-N 3.37Å; D87-M90 CarbonylContact O-C 3.51Å; D87-M90 PolarHBondContact O-N 2.98Å; M90-Q92 PolarHBondContact O-N 3.15Å; M90-L95 HydrophobicContact CE-CD2 3.85Å; M90-L95 HydrophobicContact CE-CG 4.49Å
91P98Very high96.9Very high50 Ų50101 Ų10133%0.32550%0.497SS..  trans-60.9133.6-173.9-26.633.6000112.8D87 K93 V94 L95D87-P91 WeakPolarHBondContact O-CA 3.43Å; D87-P91 VanDerWaalsContact O-CD 3.31Å; D87-P91 WeakPolarHBondContact O-CD 3.48Å; D87-P91 WeakPolarHBondContact O-CG 3.5Å; D87-P91 WeakPolarHBondContact OD1-CA 3.46Å; P91-K93 PolarHBondContact O-N 3.25Å; P91-V94 HydrophobicContact CB-CB 4.48Å; P91-V94 HydrophobicContact CB-CG2 4.1Å; P91-V94 HydrophobicContact CG-CG2 4.38Å; P91-V94 WeakPolarHBondContact O-CB 3.47Å; P91-V94 PolarHBondContact O-N 2.73Å; P91-L95 PolarHBondContact O-N 2.98Å
92Q96.8Very high96.9Very high148 Ų14897 Ų9769%0.69249%0.485SS*.Hα-helixtrans-56.8-37.4179.7-71.6-175.2-27.700111.6D87 M90 V94 L95 W96D87-Q92 WeakPolarHBondContact OD1-CG 3.4Å; D87-Q92 PolarHBondContact OD1-N 3.25Å; M90-Q92 PolarHBondContact O-N 3.15Å; Q92-V94 VanDerWaalsContact C-N 3.31Å; Q92-V94 PolarHBondContact O-N 3.38Å; Q92-L95 PolarHBondContact O-N 3.1Å; Q92-W96 PolarHBondContact O-N 2.89Å
93K97.8Very high97Very high160 Ų16090.8 Ų90.870%0.69646%0.461SS*.Hα-helixtrans-57-42.1174.4-171.6175.5-178.9173.70112.1P91 W96 M97P91-K93 PolarHBondContact O-N 3.25Å; K93-W96 PolarHBondContact O-N 3.04Å; K93-M97 HydrophobicContact CG-CE 4.13Å; K93-M97 WeakPolarHBondContact O-CB 3.33Å; K93-M97 VanDerWaalsContact O-CG 3.32Å; K93-M97 WeakPolarHBondContact O-CG 3.42Å; K93-M97 PolarHBondContact O-N 3.05Å
94V97.6Very high97.1Very high44 Ų4486 Ų8627%0.26744%0.438SS..Hα-helixtrans-67.5-41.9178.3175.10000110.8P91 Q92 M97 R98P91-V94 HydrophobicContact CB-CB 4.48Å; P91-V94 HydrophobicContact CB-CG2 4.1Å; P91-V94 HydrophobicContact CG-CG2 4.38Å; P91-V94 WeakPolarHBondContact O-CB 3.47Å; P91-V94 PolarHBondContact O-N 2.73Å; Q92-V94 VanDerWaalsContact C-N 3.31Å; Q92-V94 PolarHBondContact O-N 3.38Å; V94-M97 HydrophobicContact CG2-CE 4.12Å; V94-M97 PolarHBondContact O-N 2.85Å; V94-R98 HydrophobicContact CG1-CG 4.48Å; V94-R98 WeakPolarHBondContact O-CB 3.37Å; V94-R98 VanDerWaalsContact O-CG 3.3Å; V94-R98 WeakPolarHBondContact O-CG 3.44Å; V94-R98 PolarHBondContact O-N 2.98Å
95L96.3Very high97.2Very high89 Ų8991.7 Ų91.747%0.46644%0.44SS..Hα-helixtrans-61.9-45.4175.6-65.6175.2000111.5M90 P91 Q92 R98 R99M90-L95 HydrophobicContact CE-CD2 3.85Å; M90-L95 HydrophobicContact CE-CG 4.49Å; P91-L95 PolarHBondContact O-N 2.98Å; Q92-L95 PolarHBondContact O-N 3.1Å; L95-R98 PolarHBondContact O-N 3.11Å; L95-R99 WeakPolarHBondContact O-CB 3.49Å; L95-R99 PolarHBondContact O-N 2.83Å
96W96Very high97.2Very high122 Ų12287.5 Ų87.546%0.46241%0.414SS..Hα-helixtrans-61.1-48176.5-179.692.7000111.9Q92 K93 R98 R99 M100Q92-W96 PolarHBondContact O-N 2.89Å; K93-W96 PolarHBondContact O-N 3.04Å; W96-R98 PolarHBondContact O-N 3.16Å; W96-R99 PolarHBondContact O-N 3.31Å; W96-M100 HydrophobicContact CD2-CG 3.86Å; W96-M100 HydrophobicContact CE3-CG 4.33Å; W96-M100 HydrophobicContact CG-CG 4.36Å; W96-M100 HydrophobicContact CH2-CG 4.26Å; W96-M100 HydrophobicContact CZ2-CG 3.77Å; W96-M100 HydrophobicContact CZ2-SD 4.48Å; W96-M100 WeakPolarHBondContact O-CB 3.3Å; W96-M100 WeakPolarHBondContact O-CG 3.39Å; W96-M100 PolarHBondContact O-N 2.86Å
97M96.8Very high97.2Very high60 Ų6083.5 Ų83.530%0.29638%0.381SS..Hα-helixtrans-58.9-46.4177.3-76.3-171.8-67.100112K93 V94 R101K93-M97 HydrophobicContact CG-CE 4.13Å; K93-M97 WeakPolarHBondContact O-CB 3.33Å; K93-M97 VanDerWaalsContact O-CG 3.32Å; K93-M97 WeakPolarHBondContact O-CG 3.42Å; K93-M97 PolarHBondContact O-N 3.05Å; V94-M97 HydrophobicContact CG2-CE 4.12Å; V94-M97 PolarHBondContact O-N 2.85Å; M97-R101 WeakPolarHBondContact O-CB 3.35Å; M97-R101 WeakPolarHBondContact O-CG 3.46Å; M97-R101 PolarHBondContact O-N 3.13Å
98R97.1Very high97.2Very high151 Ų15184.8 Ų84.857%0.5738%0.383SS*.Hα-helixtrans-60.5-47.5177.8-74.1175.6-178.4-176.82.8111V94 L95 W96 R101 V102V94-R98 HydrophobicContact CG1-CG 4.48Å; V94-R98 WeakPolarHBondContact O-CB 3.37Å; V94-R98 VanDerWaalsContact O-CG 3.3Å; V94-R98 WeakPolarHBondContact O-CG 3.44Å; V94-R98 PolarHBondContact O-N 2.98Å; L95-R98 PolarHBondContact O-N 3.11Å; W96-R98 PolarHBondContact O-N 3.16Å; R98-R101 PolarHBondContact O-N 3.46Å; R98-V102 VanDerWaalsContact O-CG2 3.31Å; R98-V102 WeakPolarHBondContact O-CG2 3.12Å; R98-V102 PolarHBondContact O-N 3.14Å
99R96.9Very high97.3Very high69 Ų6989.2 Ų89.226%0.2638%0.384SS..Hα-helixtrans-60.5-51.3178.6-176.7175.859.1157.28.1111.7L95 W96 R101 V102 L103 N131 K134L95-R99 WeakPolarHBondContact O-CB 3.49Å; L95-R99 PolarHBondContact O-N 2.83Å; W96-R99 PolarHBondContact O-N 3.31Å; R99-R101 VanDerWaalsContact C-N 3.33Å; R99-R101 PolarHBondContact O-N 2.68Å; R99-V102 PolarHBondContact O-N 3.14Å; R99-L103 HydrophobicContact CG-CD1 4.2Å; R99-L103 WeakPolarHBondContact O-CG 3.42Å; R99-L103 PolarHBondContact O-N 3.4Å; R99-N131 PolarHBondContact NH1-OD1 3.39Å; R99-N131 PolarHBondContact NH2-OD1 3.33Å; R99-K134 WeakPolarHBondContact CD-O 3.37Å
100M97.3Very high97.3Very high4 Ų485 Ų852%0.0237%0.368CS..Hα-helixtrans-59.4-42.4179.1-72.6-59.3114.900112.1W96 V102 L103 R104 C128W96-M100 HydrophobicContact CD2-CG 3.86Å; W96-M100 HydrophobicContact CE3-CG 4.33Å; W96-M100 HydrophobicContact CG-CG 4.36Å; W96-M100 HydrophobicContact CH2-CG 4.26Å; W96-M100 HydrophobicContact CZ2-CG 3.77Å; W96-M100 HydrophobicContact CZ2-SD 4.48Å; W96-M100 WeakPolarHBondContact O-CB 3.3Å; W96-M100 WeakPolarHBondContact O-CG 3.39Å; W96-M100 PolarHBondContact O-N 2.86Å; M100-V102 PolarHBondContact O-N 3.32Å; M100-L103 HydrophobicContact CE-CD1 4.07Å; M100-L103 PolarHBondContact O-N 3.27Å; M100-R104 WeakPolarHBondContact O-CB 3.23Å; M100-R104 VanDerWaalsContact O-CG 3.3Å; M100-R104 WeakPolarHBondContact O-CG 2.95Å; M100-R104 PolarHBondContact O-N 3Å; M100-C128 WeakPolarHBondContact CE-O 3.45Å; M100-C128 VanDerWaalsContact SD-O 3.37Å
101R97.5Very high97.4Very high165 Ų16585.7 Ų85.762%0.62337%0.366SS*.Hα-helixtrans-63.6-40.6177-72.9173.5-176-157.62.1112.1M97 R98 R99 R105M97-R101 WeakPolarHBondContact O-CB 3.35Å; M97-R101 WeakPolarHBondContact O-CG 3.46Å; M97-R101 PolarHBondContact O-N 3.13Å; R98-R101 PolarHBondContact O-N 3.46Å; R99-R101 VanDerWaalsContact C-N 3.33Å; R99-R101 PolarHBondContact O-N 2.68Å; R101-R105 WeakPolarHBondContact O-CB 3.41Å; R101-R105 PolarHBondContact O-N 3.28Å
102V97.8Very high97.4Very high67 Ų6788.6 Ų88.641%0.40638%0.376SS..Hα-helixtrans-64.2-46.9176.9169.70000111.2R98 R99 M100 L106 K136R98-V102 VanDerWaalsContact O-CG2 3.31Å; R98-V102 WeakPolarHBondContact O-CG2 3.12Å; R98-V102 PolarHBondContact O-N 3.14Å; R99-V102 PolarHBondContact O-N 3.14Å; M100-V102 PolarHBondContact O-N 3.32Å; V102-L106 PolarHBondContact O-N 3.36Å; V102-L106 VanDerWaalsContact O-N 3.12Å; V102-K136 HydrophobicContact CG1-CB 4.15Å; V102-K136 HydrophobicContact CG1-CD 4.3Å; V102-K136 HydrophobicContact CG1-CG 4.34Å
103L98Very high97.4Very high1 Ų184.2 Ų84.21%0.00536%0.364CS..Hα-helixtrans-64.5-48.4179.6-64.9176.5000111.8R99 M100 R105 L106 L107 F133 L139R99-L103 HydrophobicContact CG-CD1 4.2Å; R99-L103 WeakPolarHBondContact O-CG 3.42Å; R99-L103 PolarHBondContact O-N 3.4Å; M100-L103 HydrophobicContact CE-CD1 4.07Å; M100-L103 PolarHBondContact O-N 3.27Å; L103-R105 PolarHBondContact O-N 2.94Å; L103-L106 WeakPolarHBondContact O-CB 3.43Å; L103-L106 PolarHBondContact O-N 3.14Å; L103-L107 PolarHBondContact O-N 3.17Å; L103-F133 HydrophobicContact CD1-CB 4.07Å; L103-F133 HydrophobicContact CD2-CB 4.42Å; L103-L139 HydrophobicContact CB-CD2 4.18Å; L103-L139 HydrophobicContact CD2-CB 3.94Å; L103-L139 HydrophobicContact CD2-CD2 3.68Å; L103-L139 HydrophobicContact CD2-CG 4.47Å; L103-L139 HydrophobicContact CG-CD2 4.5Å
104R97.3Very high97.3Very high79 Ų7984.7 Ų84.730%0.29837%0.369SS..Hα-helixtrans-65.3-37.4-179.7-69.5179.6-177.3178.33.3112.6M100 L106 L107 K108 Y125M100-R104 WeakPolarHBondContact O-CB 3.23Å; M100-R104 VanDerWaalsContact O-CG 3.3Å; M100-R104 WeakPolarHBondContact O-CG 2.95Å; M100-R104 PolarHBondContact O-N 3Å; R104-L106 VanDerWaalsContact C-N 3.34Å; R104-L107 PolarHBondContact O-N 3.25Å; R104-K108 PolarHBondContact O-N 2.88Å; R104-Y125 HydrophobicContact CB-CE2 4.42Å; R104-Y125 HydrophobicContact CG-CD2 4.27Å; R104-Y125 HydrophobicContact CG-CE2 3.77Å; R104-Y125 PolarHBondContact NE-OH 3.19Å; R104-Y125 PolarHBondContact NH1-OH 3.46Å
105R97.8Very high97.3Very high180 Ų18087.7 Ų87.768%0.67938%0.378SS*.Hα-helixtrans-63.7-39.8174.4-170.4-173.8-53.5176.51.3111.8R101 L103 K108 R109R101-R105 WeakPolarHBondContact O-CB 3.41Å; R101-R105 PolarHBondContact O-N 3.28Å; L103-R105 PolarHBondContact O-N 2.94Å; R105-K108 PolarHBondContact O-N 3.09Å; R105-R109 WeakPolarHBondContact O-CB 3.45Å; R105-R109 PolarHBondContact O-N 3.41Å
106L97.7Very high97.3Very high9 Ų983.9 Ų83.95%0.04736%0.358CS..Hα-helixtrans-61.8-48.9175.3178.768.1000111.1V102 L103 R104 K108 R109 Y110 K136 L139 I140V102-L106 PolarHBondContact O-N 3.36Å; V102-L106 VanDerWaalsContact O-N 3.12Å; L103-L106 WeakPolarHBondContact O-CB 3.43Å; L103-L106 PolarHBondContact O-N 3.14Å; R104-L106 VanDerWaalsContact C-N 3.34Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 3.48Å; L106-R109 PolarHBondContact O-N 3.45Å; L106-Y110 HydrophobicContact CD1-CD1 3.79Å; L106-Y110 HydrophobicContact CD1-CE1 3.44Å; L106-Y110 VanDerWaalsContact CD1-CE1 3.44Å; L106-Y110 HydrophobicContact CD1-CE2 4.41Å; L106-Y110 HydrophobicContact CD1-CG 4.43Å; L106-Y110 HydrophobicContact CG-CD1 4.44Å; L106-Y110 HydrophobicContact CG-CE1 4.4Å; L106-Y110 WeakPolarHBondContact O-CB 3.17Å; L106-Y110 PolarHBondContact O-N 3.46Å; L106-K136 HydrophobicContact CD2-CG 3.81Å; L106-L139 HydrophobicContact CD2-CD2 3.93Å; L106-L139 HydrophobicContact CD2-CG 4.26Å; L106-I140 HydrophobicContact CD2-CD1 4.08Å; L106-I140 HydrophobicContact CD2-CG1 3.6Å
107L98Very high97.3Very high0 Ų080.1 Ų80.10%035%0.347CS..Hα-helixtrans-59.6-43.9178.6-69.5179.4000111.8L103 R104 Y110 R111 I116 Y121 L124 L139 I143L103-L107 PolarHBondContact O-N 3.17Å; R104-L107 PolarHBondContact O-N 3.25Å; L107-Y110 PolarHBondContact O-N 3.06Å; L107-R111 WeakPolarHBondContact O-CB 3.28Å; L107-R111 PolarHBondContact O-N 3.49Å; L107-I116 HydrophobicContact CD2-CD1 4.08Å; L107-Y121 HydrophobicContact CB-CD2 3.81Å; L107-Y121 HydrophobicContact CB-CE2 3.63Å; L107-L124 HydrophobicContact CD1-CB 4.03Å; L107-L124 HydrophobicContact CD2-CB 3.8Å; L107-L124 HydrophobicContact CD2-CD1 3.76Å; L107-L124 HydrophobicContact CD2-CG 4.43Å; L107-L139 HydrophobicContact CD2-CD1 4.26Å; L107-L139 HydrophobicContact CD2-CD2 4.04Å; L107-L139 HydrophobicContact CG-CD2 4.05Å; L107-I143 HydrophobicContact CD2-CD1 4.13Å
108K97.6Very high97.3Very high108 Ų10884.4 Ų84.447%0.4736%0.364SS..Hα-helixtrans-58.3-51175.9-179175.81741780111.2R104 R105 L106 Y110 R111 E112R104-K108 PolarHBondContact O-N 2.88Å; R105-K108 PolarHBondContact O-N 3.09Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 3.48Å; K108-Y110 VanDerWaalsContact C-N 3.33Å; K108-Y110 PolarHBondContact O-N 2.99Å; K108-R111 PolarHBondContact O-N 3.39Å; K108-E112 WeakPolarHBondContact CE-OE1 3.27Å; K108-E112 WeakPolarHBondContact CG-OE1 3.32Å; K108-E112 IonicContact NZ-OE1 2.8Å; K108-E112 WeakPolarHBondContact O-CG 3.41Å; K108-E112 PolarHBondContact O-N 2.94Å
109R98.1Very high97.3Very high166 Ų16683.2 Ų83.263%0.62637%0.365SS*.Hα-helixtrans-59.4-40.9177.7-179.5-178.1169.6-166.2-2.8112.3R105 L106 R111 A113R105-R109 WeakPolarHBondContact O-CB 3.45Å; R105-R109 PolarHBondContact O-N 3.41Å; L106-R109 PolarHBondContact O-N 3.45Å; R109-R111 VanDerWaalsContact C-N 3.35Å; R109-A113 VanDerWaalsContact O-CB 3.29Å; R109-A113 WeakPolarHBondContact O-CB 3.5Å; R109-A113 PolarHBondContact O-N 3.29Å
110Y97.8Very high97.2Very high28 Ų2881.1 Ų81.111%0.1136%0.359CS..Hα-helixtrans-71.5-30.7-179.5-8625.9000112.5L106 L107 K108 H114 K115 I116 I143L106-Y110 HydrophobicContact CD1-CD1 3.79Å; L106-Y110 HydrophobicContact CD1-CE1 3.44Å; L106-Y110 VanDerWaalsContact CD1-CE1 3.44Å; L106-Y110 HydrophobicContact CD1-CE2 4.41Å; L106-Y110 HydrophobicContact CD1-CG 4.43Å; L106-Y110 HydrophobicContact CG-CD1 4.44Å; L106-Y110 HydrophobicContact CG-CE1 4.4Å; L106-Y110 WeakPolarHBondContact O-CB 3.17Å; L106-Y110 PolarHBondContact O-N 3.46Å; L107-Y110 PolarHBondContact O-N 3.06Å; K108-Y110 VanDerWaalsContact C-N 3.33Å; K108-Y110 PolarHBondContact O-N 2.99Å; Y110-H114 PolarHBondContact O-N 3.26Å; Y110-K115 HydrophobicContact CD1-CD 4.17Å; Y110-K115 HydrophobicContact CD2-CB 4.27Å; Y110-K115 HydrophobicContact CD2-CD 4.4Å; Y110-K115 HydrophobicContact CE1-CD 4.17Å; Y110-K115 HydrophobicContact CE2-CD 4.42Å; Y110-K115 HydrophobicContact CG-CB 4.24Å; Y110-K115 HydrophobicContact CG-CD 4.29Å; Y110-K115 PolarHBondContact O-N 3.44Å; Y110-I116 PolarHBondContact O-N 3Å; Y110-I143 HydrophobicContact CD2-CD1 4.08Å; Y110-I143 HydrophobicContact CE2-CD1 4.34Å
111R97.4Very high97.3Very high100 Ų10082.7 Ų82.738%0.37737%0.365SS..Hα-helixtrans-68.9-46.7172.9-173.3-175.271174.16.3111.3L107 K108 R109 A113 H114 I116 Y121L107-R111 WeakPolarHBondContact O-CB 3.28Å; L107-R111 PolarHBondContact O-N 3.49Å; K108-R111 PolarHBondContact O-N 3.39Å; R109-R111 VanDerWaalsContact C-N 3.35Å; R111-A113 VanDerWaalsContact C-N 3.34Å; R111-H114 PolarHBondContact O-N 3.05Å; R111-H114 VanDerWaalsContact O-N 3.11Å; R111-I116 HydrophobicContact CB-CG1 4.27Å; R111-Y121 HydrophobicContact CB-CD2 3.98Å; R111-Y121 HydrophobicContact CB-CG 4.44Å; R111-Y121 HydrophobicContact CG-CD2 4.42Å; R111-Y121 HydrophobicContact CG-CG 4.41Å
112E97.5Very high97.3Very high111 Ų11180.1 Ų80.152%0.51936%0.359SS..Hα-helixtrans-64.4-37.5177.7-71.8167.9179.300112.1K108 H114K108-E112 WeakPolarHBondContact CE-OE1 3.27Å; K108-E112 WeakPolarHBondContact CG-OE1 3.32Å; K108-E112 IonicContact NZ-OE1 2.8Å; K108-E112 WeakPolarHBondContact O-CG 3.41Å; K108-E112 PolarHBondContact O-N 2.94Å; E112-H114 PolarHBondContact O-CD2 3.14Å; E112-H114 PolarHBondContact O-N 3.32Å
113A97.6Very high97.2Very high55 Ų5581 Ų8146%0.45536%0.361SS..THydrogen-bonded Turntrans-81.311.1174.200000113.9R109 R111 K115R109-A113 VanDerWaalsContact O-CB 3.29Å; R109-A113 WeakPolarHBondContact O-CB 3.5Å; R109-A113 PolarHBondContact O-N 3.29Å; R111-A113 VanDerWaalsContact C-N 3.34Å; A113-K115 HydrophobicContact CB-CG 4.3Å; A113-K115 PolarHBondContact O-N 2.9Å
114H95.4Very high97.2Very high171 Ų17180.9 Ų80.979%0.79236%0.361SS*.THydrogen-bonded Turntrans52.923.4-179.6-57.9-73.2000115.6Y110 R111 E112 I116Y110-H114 PolarHBondContact O-N 3.26Å; R111-H114 PolarHBondContact O-N 3.05Å; R111-H114 VanDerWaalsContact O-N 3.11Å; E112-H114 PolarHBondContact O-CD2 3.14Å; E112-H114 PolarHBondContact O-N 3.32Å; H114-I116 VanDerWaalsContact C-N 3.31Å
115K96.7Very high97.2Very high107 Ų10780.2 Ų80.247%0.46536%0.359SS..SBendtrans-74.2-27175.3-65-167.7176.5-160.60112.1Y110 A113 K147Y110-K115 HydrophobicContact CD1-CD 4.17Å; Y110-K115 HydrophobicContact CD2-CB 4.27Å; Y110-K115 HydrophobicContact CD2-CD 4.4Å; Y110-K115 HydrophobicContact CE1-CD 4.17Å; Y110-K115 HydrophobicContact CE2-CD 4.42Å; Y110-K115 HydrophobicContact CG-CB 4.24Å; Y110-K115 HydrophobicContact CG-CD 4.29Å; Y110-K115 PolarHBondContact O-N 3.44Å; A113-K115 HydrophobicContact CB-CG 4.3Å; A113-K115 PolarHBondContact O-N 2.9Å; K115-K147 WeakPolarHBondContact O-CD 3.18Å; K115-K147 WeakPolarHBondContact O-CE 3.32Å; K115-K147 PolarHBondContact O-NZ 3.36Å
116I96.8Very high97.2Very high8 Ų875.8 Ų75.84%0.04135%0.346CS..SBendtrans-132.1149.1175.562.7-178.5000108.7L107 Y110 R111 H114 L120 Y121 L124 I143L107-I116 HydrophobicContact CD2-CD1 4.08Å; Y110-I116 PolarHBondContact O-N 3Å; R111-I116 HydrophobicContact CB-CG1 4.27Å; H114-I116 VanDerWaalsContact C-N 3.31Å; I116-L120 HydrophobicContact CB-CD2 4.24Å; I116-L120 HydrophobicContact CG2-CD2 3.96Å; I116-Y121 HydrophobicContact CD1-CD2 4.16Å; I116-L124 HydrophobicContact CD1-CD1 4.49Å; I116-I143 HydrophobicContact CG2-CG2 3.79Å
117D96.1Very high97.2Very high44 Ų4478.1 Ų78.124%0.23536%0.356CS..  trans-85172.1174.768.3-18.3000111.9H119 L120 Y121 R150D117-H119 PolarHBondContact O-N 2.96Å; D117-H119 IonicContact OD2-CD2 3.92Å; D117-L120 WeakPolarHBondContact OD1-CB 3.42Å; D117-L120 PolarHBondContact OD1-N 3.22Å; D117-Y121 VanDerWaalsContact O-CB 3.24Å; D117-Y121 WeakPolarHBondContact O-CB 3.24Å; D117-Y121 PolarHBondContact O-N 2.96Å; D117-R150 IonicContact OD1-NH1 3.79Å; D117-R150 PolarHBondContact OD1-NH1 3.34Å; D117-R150 IonicContact OD2-CZ 3.02Å; D117-R150 IonicContact OD2-NH1 3.41Å; D117-R150 PolarHBondContact OD2-NH1 2.94Å; D117-R150 IonicContact OD2-NH2 3.03Å; D117-R150 PolarHBondContact OD2-NH2 2.98Å
118K96.7Very high97.1Very high149 Ų14978.1 Ų78.165%0.64836%0.356SS*.Hα-helixtrans-60.8-32.7179.365-178.9179.9179.70113H122K118-H122 PolarHBondContact O-N 3.47Å; K118-H122 VanDerWaalsContact O-N 3.09Å
119H96.5Very high97.1Very high127 Ų12779.3 Ų79.359%0.58836%0.361SS*.Hα-helixtrans-73.3-50.8-178.3-60.8-74.2000111.4D117 Y121 H122 L123D117-H119 PolarHBondContact O-N 2.96Å; D117-H119 IonicContact OD2-CD2 3.92Å; H119-Y121 VanDerWaalsContact C-N 3.28Å; H119-Y121 PolarHBondContact O-N 3.31Å; H119-H122 PolarHBondContact O-N 3.3Å; H119-L123 PolarHBondContact O-N 3.01Å; H119-L123 VanDerWaalsContact O-N 3.17Å
120L96.2Very high97Very high24 Ų2473.7 Ų73.713%0.12636%0.356CS..Hα-helixtrans-63.4-37.6174.9-175.159.5000111I116 D117 H122 L123 L124 K146I116-L120 HydrophobicContact CB-CD2 4.24Å; I116-L120 HydrophobicContact CG2-CD2 3.96Å; D117-L120 WeakPolarHBondContact OD1-CB 3.42Å; D117-L120 PolarHBondContact OD1-N 3.22Å; L120-H122 PolarHBondContact O-N 3.38Å; L120-L123 PolarHBondContact O-N 3.11Å; L120-L124 HydrophobicContact CD1-CD1 4.1Å; L120-L124 HydrophobicContact CD1-CG 4.05Å; L120-L124 HydrophobicContact CD2-CD1 4.43Å; L120-L124 HydrophobicContact CG-CD1 3.76Å; L120-L124 HydrophobicContact CG-CG 4.19Å; L120-L124 WeakPolarHBondContact O-CB 3.49Å; L120-L124 WeakPolarHBondContact O-CG 3.29Å; L120-L124 PolarHBondContact O-N 3.31Å; L120-K146 HydrophobicContact CD1-CB 4.5Å
121Y98.1Very high96.8Very high38 Ų3876.4 Ų76.415%0.14937%0.372CS..Hα-helixtrans-56.4-48.5174170.2-92.1000112.2L107 R111 I116 D117 H119 L124 Y125L107-Y121 HydrophobicContact CB-CD2 3.81Å; L107-Y121 HydrophobicContact CB-CE2 3.63Å; R111-Y121 HydrophobicContact CB-CD2 3.98Å; R111-Y121 HydrophobicContact CB-CG 4.44Å; R111-Y121 HydrophobicContact CG-CD2 4.42Å; R111-Y121 HydrophobicContact CG-CG 4.41Å; I116-Y121 HydrophobicContact CD1-CD2 4.16Å; D117-Y121 VanDerWaalsContact O-CB 3.24Å; D117-Y121 WeakPolarHBondContact O-CB 3.24Å; D117-Y121 PolarHBondContact O-N 2.96Å; H119-Y121 VanDerWaalsContact C-N 3.28Å; H119-Y121 PolarHBondContact O-N 3.31Å; Y121-L124 PolarHBondContact O-N 3.07Å; Y121-Y125 HydrophobicContact CE1-CD2 4.46Å; Y121-Y125 VanDerWaalsContact O-CB 3.27Å; Y121-Y125 WeakPolarHBondContact O-CB 3.49Å; Y121-Y125 PolarHBondContact O-N 3.2Å
122H97.8Very high96.8Very high110 Ų11078.1 Ų78.151%0.50938%0.384SS..Hα-helixtrans-64.1-45.7-178.2-173.880.1000111.6K118 H119 L120 L124 Y125 Q126K118-H122 PolarHBondContact O-N 3.47Å; K118-H122 VanDerWaalsContact O-N 3.09Å; H119-H122 PolarHBondContact O-N 3.3Å; L120-H122 PolarHBondContact O-N 3.38Å; H122-L124 PolarHBondContact O-N 3.22Å; H122-Y125 WeakPolarHBondContact O-CB 3.44Å; H122-Y125 PolarHBondContact O-N 3.46Å; H122-Q126 PolarHBondContact CE1-NE2 3.04Å; H122-Q126 PolarHBondContact O-N 2.87Å; H122-Q126 VanDerWaalsContact O-N 3.1Å
123L96.7Very high96.7Very high85 Ų8573 Ų7345%0.44536%0.361SS..Hα-helixtrans-58.8-49.3176.9-177.1151.8000111.5H119 L120 Y125 Q126 Q127H119-L123 PolarHBondContact O-N 3.01Å; H119-L123 VanDerWaalsContact O-N 3.17Å; L120-L123 PolarHBondContact O-N 3.11Å; L123-Y125 VanDerWaalsContact C-N 3.28Å; L123-Y125 PolarHBondContact O-N 3.12Å; L123-Q126 PolarHBondContact O-N 3.04Å; L123-Q127 VanDerWaalsContact CD2-CD 3.42Å; L123-Q127 HydrophobicContact CD2-CG 4.24Å; L123-Q127 WeakPolarHBondContact O-CG 3.46Å; L123-Q127 PolarHBondContact O-N 3.1Å
124L97.8Very high96.6Very high0 Ų078.2 Ų78.20%037%0.373CS..Hα-helixtrans-64-33.5177.9-70.5173000112.4L107 I116 L120 Y121 H122 Q127 C128 F133 L139 I143L107-L124 HydrophobicContact CD1-CB 4.03Å; L107-L124 HydrophobicContact CD2-CB 3.8Å; L107-L124 HydrophobicContact CD2-CD1 3.76Å; L107-L124 HydrophobicContact CD2-CG 4.43Å; I116-L124 HydrophobicContact CD1-CD1 4.49Å; L120-L124 HydrophobicContact CD1-CD1 4.1Å; L120-L124 HydrophobicContact CD1-CG 4.05Å; L120-L124 HydrophobicContact CD2-CD1 4.43Å; L120-L124 HydrophobicContact CG-CD1 3.76Å; L120-L124 HydrophobicContact CG-CG 4.19Å; L120-L124 WeakPolarHBondContact O-CB 3.49Å; L120-L124 WeakPolarHBondContact O-CG 3.29Å; L120-L124 PolarHBondContact O-N 3.31Å; Y121-L124 PolarHBondContact O-N 3.07Å; H122-L124 PolarHBondContact O-N 3.22Å; L124-Q127 PolarHBondContact O-N 3.1Å; L124-C128 WeakPolarHBondContact O-CB 3.45Å; L124-C128 PolarHBondContact O-N 3.25Å; L124-C128 PolarHBondContact O-SG 3.41Å; L124-F133 HydrophobicContact CD2-CE2 4.26Å; L124-F133 HydrophobicContact CD2-CZ 3.84Å; L124-L139 HydrophobicContact CD2-CD1 4.12Å; L124-I143 HydrophobicContact CD1-CD1 4Å; L124-I143 HydrophobicContact CD1-CG1 3.58Å; L124-I143 HydrophobicContact CD2-CG1 4.39Å
125Y97.7Very high96.7Very high65 Ų6573.8 Ų73.826%0.25536%0.355SS..Hα-helixtrans-64.6-44.2177.4-171.4-83.7000111.2R104 Y121 H122 L123 C128 K129R104-Y125 HydrophobicContact CB-CE2 4.42Å; R104-Y125 HydrophobicContact CG-CD2 4.27Å; R104-Y125 HydrophobicContact CG-CE2 3.77Å; R104-Y125 PolarHBondContact NE-OH 3.19Å; R104-Y125 PolarHBondContact NH1-OH 3.46Å; Y121-Y125 HydrophobicContact CE1-CD2 4.46Å; Y121-Y125 VanDerWaalsContact O-CB 3.27Å; Y121-Y125 WeakPolarHBondContact O-CB 3.49Å; Y121-Y125 PolarHBondContact O-N 3.2Å; H122-Y125 WeakPolarHBondContact O-CB 3.44Å; H122-Y125 PolarHBondContact O-N 3.46Å; L123-Y125 VanDerWaalsContact C-N 3.28Å; L123-Y125 PolarHBondContact O-N 3.12Å; Y125-C128 WeakPolarHBondContact O-CB 3.48Å; Y125-C128 PolarHBondContact O-N 2.97Å; Y125-K129 PolarHBondContact O-N 3.42Å
126Q97.1Very high96.7Very high87 Ų8773.3 Ų73.341%0.40735%0.353SS..Hα-helixtrans-66.7-42175.5-60.8-61.2-200111.6H122 L123 C128 K129 G130H122-Q126 PolarHBondContact CE1-NE2 3.04Å; H122-Q126 PolarHBondContact O-N 2.87Å; H122-Q126 VanDerWaalsContact O-N 3.1Å; L123-Q126 PolarHBondContact O-N 3.04Å; Q126-C128 VanDerWaalsContact C-N 3.33Å; Q126-C128 PolarHBondContact O-N 3.28Å; Q126-K129 WeakPolarHBondContact O-CA 3.36Å; Q126-K129 WeakPolarHBondContact O-CB 3.35Å; Q126-K129 PolarHBondContact O-N 3.5Å; Q126-K129 VanDerWaalsContact O-N 3.1Å; Q126-G130 PolarHBondContact O-N 2.93Å
127Q96.8Very high96.7Very high57 Ų5781.9 Ų81.927%0.26639%0.385SS..Hα-helixtrans-62-38174.5-72.9178.5-26.900112.8L123 L124 G130 N131 Q132 F133L123-Q127 VanDerWaalsContact CD2-CD 3.42Å; L123-Q127 HydrophobicContact CD2-CG 4.24Å; L123-Q127 WeakPolarHBondContact O-CG 3.46Å; L123-Q127 PolarHBondContact O-N 3.1Å; L124-Q127 PolarHBondContact O-N 3.1Å; Q127-G130 CarbonylContact O-C 3.21Å; Q127-G130 PolarHBondContact O-N 3.5Å; Q127-N131 PolarHBondContact O-N 3.13Å; Q127-Q132 HydrophobicContact CB-CB 4.25Å; Q127-Q132 HydrophobicContact CB-CG 4.25Å; Q127-Q132 WeakPolarHBondContact O-CB 3.49Å; Q127-Q132 PolarHBondContact O-N 2.81Å; Q127-Q132 VanDerWaalsContact O-N 3.14Å; Q127-F133 HydrophobicContact CB-CD2 4.45Å; Q127-F133 HydrophobicContact CB-CE2 3.55Å; Q127-F133 HydrophobicContact CB-CZ 4.08Å
128C97Very high96.8Very high0 Ų082.5 Ų82.50%039%0.39CS..Hα-helixtrans-61.4-44.1171.6-72.70000111.6M100 L124 Y125 Q126 G130 N131 F133M100-C128 WeakPolarHBondContact CE-O 3.45Å; M100-C128 VanDerWaalsContact SD-O 3.37Å; L124-C128 WeakPolarHBondContact O-CB 3.45Å; L124-C128 PolarHBondContact O-N 3.25Å; L124-C128 PolarHBondContact O-SG 3.41Å; Y125-C128 WeakPolarHBondContact O-CB 3.48Å; Y125-C128 PolarHBondContact O-N 2.97Å; Q126-C128 VanDerWaalsContact C-N 3.33Å; Q126-C128 PolarHBondContact O-N 3.28Å; C128-G130 VanDerWaalsContact C-N 3.28Å; C128-G130 PolarHBondContact O-N 2.87Å; C128-N131 PolarHBondContact O-N 3.02Å; C128-F133 HydrophobicContact CB-CD2 4.33Å; C128-F133 WeakPolarHBondContact SG-CD2 3.4Å
129K97.1Very high96.9Very high133 Ų13375.4 Ų75.458%0.57836%0.359SS*.Hα-helixtrans-60.3-40.4175.3-175-174.9175.2-171.40110.9Y125 Q126 N131Y125-K129 PolarHBondContact O-N 3.42Å; Q126-K129 WeakPolarHBondContact O-CA 3.36Å; Q126-K129 WeakPolarHBondContact O-CB 3.35Å; Q126-K129 PolarHBondContact O-N 3.5Å; Q126-K129 VanDerWaalsContact O-N 3.1Å; K129-N131 PolarHBondContact O-N 3.19Å
130G96Very high96.9Very high49 Ų4970.9 Ų70.951%0.50534%0.339SS..THydrogen-bonded Turntrans-76.513.3176.100000115.8Q126 Q127 C128 Q132Q126-G130 PolarHBondContact O-N 2.93Å; Q127-G130 CarbonylContact O-C 3.21Å; Q127-G130 PolarHBondContact O-N 3.5Å; C128-G130 VanDerWaalsContact C-N 3.28Å; C128-G130 PolarHBondContact O-N 2.87Å; G130-Q132 PolarHBondContact O-N 3.38Å; G130-Q132 VanDerWaalsContact O-N 3.16Å
131N94.7Very high97Very high85 Ų8573.5 Ų73.546%0.45535%0.353SS..THydrogen-bonded Turntrans61.921175.2-169.745.6000115.5R99 Q127 C128 K129 F133R99-N131 PolarHBondContact NH1-OD1 3.39Å; R99-N131 PolarHBondContact NH2-OD1 3.33Å; Q127-N131 PolarHBondContact O-N 3.13Å; C128-N131 PolarHBondContact O-N 3.02Å; K129-N131 PolarHBondContact O-N 3.19Å; N131-F133 PolarHBondContact O-N 3.45Å
132Q95.7Very high97Very high135 Ų13574.2 Ų74.263%0.63136%0.358SS*.  trans-66.2-26.5178.1-67.4-66.3-34.500112.7Q127 G130Q127-Q132 HydrophobicContact CB-CB 4.25Å; Q127-Q132 HydrophobicContact CB-CG 4.25Å; Q127-Q132 WeakPolarHBondContact O-CB 3.49Å; Q127-Q132 PolarHBondContact O-N 2.81Å; Q127-Q132 VanDerWaalsContact O-N 3.14Å; G130-Q132 PolarHBondContact O-N 3.38Å; G130-Q132 VanDerWaalsContact O-N 3.16Å
133F96.8Very high96.9Very high5 Ų569 Ų692%0.02233%0.334CS..  trans-108.2115.8-177.7-52.1-67.3000111.8L103 L124 Q127 C128 N131 V138 L139 H142L103-F133 HydrophobicContact CD1-CB 4.07Å; L103-F133 HydrophobicContact CD2-CB 4.42Å; L124-F133 HydrophobicContact CD2-CE2 4.26Å; L124-F133 HydrophobicContact CD2-CZ 3.84Å; Q127-F133 HydrophobicContact CB-CD2 4.45Å; Q127-F133 HydrophobicContact CB-CE2 3.55Å; Q127-F133 HydrophobicContact CB-CZ 4.08Å; C128-F133 HydrophobicContact CB-CD2 4.33Å; C128-F133 WeakPolarHBondContact SG-CD2 3.4Å; N131-F133 PolarHBondContact O-N 3.45Å; F133-V138 HydrophobicContact CD1-CG1 4.24Å; F133-L139 HydrophobicContact CB-CB 4.22Å; F133-L139 HydrophobicContact CD1-CB 4.11Å; F133-L139 HydrophobicContact CD1-CD1 4.07Å; F133-L139 HydrophobicContact CD2-CD1 3.8Å; F133-L139 HydrophobicContact CE1-CD1 3.94Å; F133-L139 HydrophobicContact CE2-CD1 3.62Å; F133-L139 HydrophobicContact CG-CB 4.04Å; F133-L139 HydrophobicContact CG-CD1 4Å; F133-L139 HydrophobicContact CZ-CD1 3.71Å; F133-H142 HydrophobicContact CD1-CB 4.45Å; F133-H142 HydrophobicContact CE1-CB 3.64Å; F133-H142 AromaticContact CE1-CD2 3.77Å; F133-H142 AromaticContact CE1-CG 3.6Å; F133-H142 HydrophobicContact CZ-CB 4.43Å; F133-H142 AromaticContact CZ-CD2 3.75Å
134K95.5Very high97Very high164 Ų16470 Ų7071%0.71334%0.335SS*.SBendtrans-72.3-38179.7-66.4-175.1180-179.90113R99R99-K134 WeakPolarHBondContact CD-O 3.37Å
135N96.4Very high96.9Very high77 Ų7776.5 Ų76.541%0.41236%0.364SS..SBendtrans-149.5173.4-17763.642.3000110.9R137 V138 L139N135-R137 VanDerWaalsContact C-N 3.3Å; N135-R137 PolarHBondContact O-N 3.39Å; N135-R137 WeakPolarHBondContact OD1-CB 3.3Å; N135-R137 PolarHBondContact OD1-N 3.48Å; N135-R137 VanDerWaalsContact OD1-N 3.11Å; N135-V138 PolarHBondContact O-N 3.44Å; N135-V138 VanDerWaalsContact OD1-CG2 3.3Å; N135-V138 WeakPolarHBondContact OD1-CG2 3.48Å; N135-V138 PolarHBondContact OD1-N 3.18Å; N135-L139 PolarHBondContact O-N 3.02Å
136K97.4Very high96.9Very high98 Ų9877.2 Ų77.243%0.42637%0.368SS..Hα-helixtrans-59.7-38.2-178.5-170.7-171176.3-168.50112.8V102 L106 L139 I140V102-K136 HydrophobicContact CG1-CB 4.15Å; V102-K136 HydrophobicContact CG1-CD 4.3Å; V102-K136 HydrophobicContact CG1-CG 4.34Å; L106-K136 HydrophobicContact CD2-CG 3.81Å; K136-L139 PolarHBondContact O-N 3.12Å; K136-I140 HydrophobicContact CG-CD1 4.1Å; K136-I140 WeakPolarHBondContact O-CG1 3.45Å; K136-I140 PolarHBondContact O-N 3.43Å; K136-I140 VanDerWaalsContact O-N 3.1Å
137R97.5Very high96.8Very high187 Ų18777.4 Ų77.471%0.70637%0.368SS*.Hα-helixtrans-62.8-50-179.1176.2178.8174.9-177.61.5110.9N135 L139 I140 D141N135-R137 VanDerWaalsContact C-N 3.3Å; N135-R137 PolarHBondContact O-N 3.39Å; N135-R137 WeakPolarHBondContact OD1-CB 3.3Å; N135-R137 PolarHBondContact OD1-N 3.48Å; N135-R137 VanDerWaalsContact OD1-N 3.11Å; R137-L139 VanDerWaalsContact C-N 3.26Å; R137-L139 PolarHBondContact O-N 3.01Å; R137-I140 WeakPolarHBondContact O-CA 3.41Å; R137-I140 WeakPolarHBondContact O-CB 3.35Å; R137-I140 PolarHBondContact O-N 2.97Å; R137-D141 WeakPolarHBondContact CG-OD2 3.17Å; R137-D141 IonicContact NE-OD2 2.73Å; R137-D141 VanDerWaalsContact O-CG 3.31Å; R137-D141 PolarHBondContact O-N 3.19Å
138V97.6Very high96.8Very high57 Ų5777.6 Ų77.635%0.34538%0.379SS..Hα-helixtrans-57.7-39.2178.8177.40000111.7F133 N135 H142F133-V138 HydrophobicContact CD1-CG1 4.24Å; N135-V138 PolarHBondContact O-N 3.44Å; N135-V138 VanDerWaalsContact OD1-CG2 3.3Å; N135-V138 WeakPolarHBondContact OD1-CG2 3.48Å; N135-V138 PolarHBondContact OD1-N 3.18Å; V138-H142 WeakPolarHBondContact O-CB 3.5Å; V138-H142 PolarHBondContact O-N 3.41Å
139L97.7Very high96.8Very high0 Ų081.4 Ų81.40%040%0.397CS..Hα-helixtrans-64.9-43.4174.617559.1000112.1L103 L106 L107 L124 F133 N135 K136 R137 H142 I143L103-L139 HydrophobicContact CB-CD2 4.18Å; L103-L139 HydrophobicContact CD2-CB 3.94Å; L103-L139 HydrophobicContact CD2-CD2 3.68Å; L103-L139 HydrophobicContact CD2-CG 4.47Å; L103-L139 HydrophobicContact CG-CD2 4.5Å; L106-L139 HydrophobicContact CD2-CD2 3.93Å; L106-L139 HydrophobicContact CD2-CG 4.26Å; L107-L139 HydrophobicContact CD2-CD1 4.26Å; L107-L139 HydrophobicContact CD2-CD2 4.04Å; L107-L139 HydrophobicContact CG-CD2 4.05Å; L124-L139 HydrophobicContact CD2-CD1 4.12Å; F133-L139 HydrophobicContact CB-CB 4.22Å; F133-L139 HydrophobicContact CD1-CB 4.11Å; F133-L139 HydrophobicContact CD1-CD1 4.07Å; F133-L139 HydrophobicContact CD2-CD1 3.8Å; F133-L139 HydrophobicContact CE1-CD1 3.94Å; F133-L139 HydrophobicContact CE2-CD1 3.62Å; F133-L139 HydrophobicContact CG-CB 4.04Å; F133-L139 HydrophobicContact CG-CD1 4Å; F133-L139 HydrophobicContact CZ-CD1 3.71Å; N135-L139 PolarHBondContact O-N 3.02Å; K136-L139 PolarHBondContact O-N 3.12Å; R137-L139 VanDerWaalsContact C-N 3.26Å; R137-L139 PolarHBondContact O-N 3.01Å; L139-H142 PolarHBondContact O-N 3.37Å; L139-I143 HydrophobicContact CD1-CD1 3.95Å; L139-I143 HydrophobicContact CD1-CG1 4.19Å; L139-I143 HydrophobicContact CG-CD1 3.94Å; L139-I143 VanDerWaalsContact O-CG1 3.23Å; L139-I143 WeakPolarHBondContact O-CG1 3.34Å; L139-I143 PolarHBondContact O-N 2.94Å
140I97.6Very high96.7Very high33 Ų3382 Ų8217%0.16940%0.396CS..Hα-helixtrans-62.2-47177.8-68.5168.4000110.4L106 K136 R137 H142 I143 H144L106-I140 HydrophobicContact CD2-CD1 4.08Å; L106-I140 HydrophobicContact CD2-CG1 3.6Å; K136-I140 HydrophobicContact CG-CD1 4.1Å; K136-I140 WeakPolarHBondContact O-CG1 3.45Å; K136-I140 PolarHBondContact O-N 3.43Å; K136-I140 VanDerWaalsContact O-N 3.1Å; R137-I140 WeakPolarHBondContact O-CA 3.41Å; R137-I140 WeakPolarHBondContact O-CB 3.35Å; R137-I140 PolarHBondContact O-N 2.97Å; I140-H142 VanDerWaalsContact C-N 3.31Å; I140-H142 PolarHBondContact O-N 2.95Å; I140-I143 WeakPolarHBondContact O-CB 3.46Å; I140-I143 PolarHBondContact O-N 3.04Å; I140-I143 VanDerWaalsContact O-N 3.15Å; I140-H144 VanDerWaalsContact CG2-CE1 3.5Å; I140-H144 WeakPolarHBondContact CG2-CE1 3.31Å; I140-H144 PolarHBondContact O-CD2 3.36Å; I140-H144 PolarHBondContact O-N 3.49Å
141D97.6Very high96.7Very high79 Ų7984.4 Ų84.442%0.42240%0.396SS..Hα-helixtrans-60.5-42.1179.6-63.2-20.2000110.9R137 H144 K145R137-D141 WeakPolarHBondContact CG-OD2 3.17Å; R137-D141 IonicContact NE-OD2 2.73Å; R137-D141 VanDerWaalsContact O-CG 3.31Å; R137-D141 PolarHBondContact O-N 3.19Å; D141-H144 PolarHBondContact O-N 3.22Å; D141-K145 PolarHBondContact O-N 3.01Å
142H97.6Very high96.8Very high53 Ų5389.7 Ų89.725%0.24541%0.41CS..Hα-helixtrans-63.7-41.6175.1-172.885.4000112.7F133 V138 L139 I140 H144 K145 K146F133-H142 HydrophobicContact CD1-CB 4.45Å; F133-H142 HydrophobicContact CE1-CB 3.64Å; F133-H142 AromaticContact CE1-CD2 3.77Å; F133-H142 AromaticContact CE1-CG 3.6Å; F133-H142 HydrophobicContact CZ-CB 4.43Å; F133-H142 AromaticContact CZ-CD2 3.75Å; V138-H142 WeakPolarHBondContact O-CB 3.5Å; V138-H142 PolarHBondContact O-N 3.41Å; L139-H142 PolarHBondContact O-N 3.37Å; I140-H142 VanDerWaalsContact C-N 3.31Å; I140-H142 PolarHBondContact O-N 2.95Å; H142-H144 VanDerWaalsContact C-N 3.34Å; H142-K145 PolarHBondContact O-N 3.23Å; H142-K146 WeakPolarHBondContact O-CB 3.45Å; H142-K146 WeakPolarHBondContact O-CG 3.47Å; H142-K146 PolarHBondContact O-N 2.78Å
143I97.4Very high96.9Very high1 Ų186.2 Ų86.21%0.00540%0.404CS..Hα-helixtrans-61.4-44.9175.6-70.1164.9000110.4L107 Y110 I116 L124 L139 I140 K146 K147L107-I143 HydrophobicContact CD2-CD1 4.13Å; Y110-I143 HydrophobicContact CD2-CD1 4.08Å; Y110-I143 HydrophobicContact CE2-CD1 4.34Å; I116-I143 HydrophobicContact CG2-CG2 3.79Å; L124-I143 HydrophobicContact CD1-CD1 4Å; L124-I143 HydrophobicContact CD1-CG1 3.58Å; L124-I143 HydrophobicContact CD2-CG1 4.39Å; L139-I143 HydrophobicContact CD1-CD1 3.95Å; L139-I143 HydrophobicContact CD1-CG1 4.19Å; L139-I143 HydrophobicContact CG-CD1 3.94Å; L139-I143 VanDerWaalsContact O-CG1 3.23Å; L139-I143 WeakPolarHBondContact O-CG1 3.34Å; L139-I143 PolarHBondContact O-N 2.94Å; I140-I143 WeakPolarHBondContact O-CB 3.46Å; I140-I143 PolarHBondContact O-N 3.04Å; I140-I143 VanDerWaalsContact O-N 3.15Å; I143-K146 PolarHBondContact O-N 3.33Å; I143-K147 HydrophobicContact CG2-CD 4.06Å; I143-K147 HydrophobicContact CG2-CG 4.33Å; I143-K147 WeakPolarHBondContact O-CB 3.33Å; I143-K147 WeakPolarHBondContact O-CG 3.42Å; I143-K147 PolarHBondContact O-N 2.97Å
144H97.3Very high96.9Very high104 Ų10492 Ų9248%0.48143%0.429SS..Hα-helixtrans-62-46.3179.1-68.7179000111.3I140 D141 H142 K146 K147 A148I140-H144 VanDerWaalsContact CG2-CE1 3.5Å; I140-H144 WeakPolarHBondContact CG2-CE1 3.31Å; I140-H144 PolarHBondContact O-CD2 3.36Å; I140-H144 PolarHBondContact O-N 3.49Å; D141-H144 PolarHBondContact O-N 3.22Å; H142-H144 VanDerWaalsContact C-N 3.34Å; H144-K146 PolarHBondContact O-N 3.3Å; H144-K147 PolarHBondContact O-N 3.37Å; H144-A148 PolarHBondContact O-N 2.95Å
145K97.5Very high97Very high138 Ų13889 Ų8960%0.642%0.418SS*.Hα-helixtrans-57.8-49.1175-172.7176.9179.5177.40111.7D141 H142 K147 A148 E149D141-K145 PolarHBondContact O-N 3.01Å; H142-K145 PolarHBondContact O-N 3.23Å; K145-K147 VanDerWaalsContact C-N 3.34Å; K145-K147 PolarHBondContact O-N 3.17Å; K145-A148 PolarHBondContact O-N 3.34Å; K145-E149 VanDerWaalsContact CE-OE1 3.28Å; K145-E149 WeakPolarHBondContact CE-OE1 3.43Å; K145-E149 WeakPolarHBondContact O-CG 3.3Å; K145-E149 PolarHBondContact O-N 3.4Å
146K96.2Very high97Very high79 Ų7991 Ų9134%0.34343%0.428SS..Hα-helixtrans-62.9-36.9178.9-77.2-74163.4-150.20113.4L120 H142 I143 H144 E149 R150L120-K146 HydrophobicContact CD1-CB 4.5Å; H142-K146 WeakPolarHBondContact O-CB 3.45Å; H142-K146 WeakPolarHBondContact O-CG 3.47Å; H142-K146 PolarHBondContact O-N 2.78Å; I143-K146 PolarHBondContact O-N 3.33Å; H144-K146 PolarHBondContact O-N 3.3Å; K146-E149 IonicContact NZ-OE2 3.55Å; K146-E149 PolarHBondContact NZ-OE2 3.4Å; K146-R150 WeakPolarHBondContact O-CB 3.37Å; K146-R150 PolarHBondContact O-N 2.87Å
147K96.2Very high97Very high91 Ų9188.8 Ų88.840%0.39643%0.425SS..Hα-helixtrans-68.3-40.8175.1-76-173.967.1167.30112K115 I143 H144 K145 R150 L151K115-K147 WeakPolarHBondContact O-CD 3.18Å; K115-K147 WeakPolarHBondContact O-CE 3.32Å; K115-K147 PolarHBondContact O-NZ 3.36Å; I143-K147 HydrophobicContact CG2-CD 4.06Å; I143-K147 HydrophobicContact CG2-CG 4.33Å; I143-K147 WeakPolarHBondContact O-CB 3.33Å; I143-K147 WeakPolarHBondContact O-CG 3.42Å; I143-K147 PolarHBondContact O-N 2.97Å; H144-K147 PolarHBondContact O-N 3.37Å; K145-K147 VanDerWaalsContact C-N 3.34Å; K145-K147 PolarHBondContact O-N 3.17Å; K147-R150 PolarHBondContact O-N 3.18Å; K147-L151 WeakPolarHBondContact O-CB 3.47Å; K147-L151 PolarHBondContact O-N 3.45Å
148A97Very high97Very high61 Ų6183.4 Ų83.450%0.50441%0.41SS..Hα-helixtrans-63.5-43.9175.700000111.4H144 K145 R150 L151 R152H144-A148 PolarHBondContact O-N 2.95Å; K145-A148 PolarHBondContact O-N 3.34Å; A148-R150 PolarHBondContact O-N 3.45Å; A148-L151 PolarHBondContact O-N 3.44Å; A148-R152 WeakPolarHBondContact O-CB 3.18Å; A148-R152 PolarHBondContact O-N 2.97Å
149E96.7Very high96.9Very high80 Ų8086.5 Ų86.537%0.37442%0.421SS..Hα-helixtrans-57.2-47.8173.3-72.8169.8-169.800111.5K145 K146 R152 A153K145-E149 VanDerWaalsContact CE-OE1 3.28Å; K145-E149 WeakPolarHBondContact CE-OE1 3.43Å; K145-E149 WeakPolarHBondContact O-CG 3.3Å; K145-E149 PolarHBondContact O-N 3.4Å; K146-E149 IonicContact NZ-OE2 3.55Å; K146-E149 PolarHBondContact NZ-OE2 3.4Å; E149-R152 PolarHBondContact O-N 3.21Å; E149-A153 WeakPolarHBondContact O-CB 3.46Å; E149-A153 PolarHBondContact O-N 3.18Å
150R95.2Very high96.9Very high146 Ų14688.2 Ų88.255%0.55144%0.435SS*.Hα-helixtrans-65.5-39.6178.9-173.1175-178.2170.9-0.4112.9D117 K146 K147 A148 K154D117-R150 IonicContact OD1-NH1 3.79Å; D117-R150 PolarHBondContact OD1-NH1 3.34Å; D117-R150 IonicContact OD2-CZ 3.02Å; D117-R150 IonicContact OD2-NH1 3.41Å; D117-R150 PolarHBondContact OD2-NH1 2.94Å; D117-R150 IonicContact OD2-NH2 3.03Å; D117-R150 PolarHBondContact OD2-NH2 2.98Å; K146-R150 WeakPolarHBondContact O-CB 3.37Å; K146-R150 PolarHBondContact O-N 2.87Å; K147-R150 PolarHBondContact O-N 3.18Å; A148-R150 PolarHBondContact O-N 3.45Å; R150-K154 WeakPolarHBondContact O-CB 3.34Å; R150-K154 PolarHBondContact O-N 3.39Å
151L96Very high96.8Very high100 Ų10090.7 Ų90.752%0.52445%0.446SS..Hα-helixtrans-64.1-45.2176.8-179.662.7000110.9K147 A148 K154 Q155K147-L151 WeakPolarHBondContact O-CB 3.47Å; K147-L151 PolarHBondContact O-N 3.45Å; A148-L151 PolarHBondContact O-N 3.44Å; L151-K154 PolarHBondContact O-N 2.99Å; L151-Q155 WeakPolarHBondContact O-CG 3.36Å; L151-Q155 PolarHBondContact O-N 3.49Å
152R96.8Very high96.8Very high195 Ų19589.5 Ų89.574%0.73645%0.447SS*.Hα-helixtrans-62.1-44.1177.1-172.1176.9-175.5152.91.6111.9A148 E149 K154 Q155 L156A148-R152 WeakPolarHBondContact O-CB 3.18Å; A148-R152 PolarHBondContact O-N 2.97Å; E149-R152 PolarHBondContact O-N 3.21Å; R152-K154 VanDerWaalsContact C-N 3.34Å; R152-Q155 PolarHBondContact O-N 3.41Å; R152-L156 PolarHBondContact O-N 3.18Å; R152-L156 VanDerWaalsContact O-N 3.11Å
153A96.7Very high96.6Very high62 Ų6292.7 Ų92.751%0.51247%0.465SS..Hα-helixtrans-62.9-40.5175.800000112.1E149 L156 S157E149-A153 WeakPolarHBondContact O-CB 3.46Å; E149-A153 PolarHBondContact O-N 3.18Å; A153-L156 PolarHBondContact O-N 3.34Å; A153-S157 PolarHBondContact O-N 3.48Å
154K96.7Very high96.6Very high126 Ų12699.7 Ų99.755%0.54849%0.491SS..Hα-helixtrans-61.4-50.2174.7-173.1-171.9173.2-1690111.2R150 L151 R152 L156 S157 D158R150-K154 WeakPolarHBondContact O-CB 3.34Å; R150-K154 PolarHBondContact O-N 3.39Å; L151-K154 PolarHBondContact O-N 2.99Å; R152-K154 VanDerWaalsContact C-N 3.34Å; K154-L156 VanDerWaalsContact C-N 3.27Å; K154-L156 PolarHBondContact O-N 2.9Å; K154-S157 WeakPolarHBondContact O-CB 3.49Å; K154-S157 PolarHBondContact O-N 3.43Å; K154-S157 VanDerWaalsContact O-N 3.1Å; K154-D158 VanDerWaalsContact CE-OD2 3.3Å; K154-D158 WeakPolarHBondContact CE-OD2 3.45Å; K154-D158 WeakPolarHBondContact O-CB 3.36Å; K154-D158 PolarHBondContact O-N 2.95Å
155Q97.4Very high96.5Very high102 Ų102100 Ų10048%0.47749%0.493SS..Hα-helixtrans-56.2-41.3178.7-73.8172.8-31.100112.4L151 R152 Q159L151-Q155 WeakPolarHBondContact O-CG 3.36Å; L151-Q155 PolarHBondContact O-N 3.49Å; R152-Q155 PolarHBondContact O-N 3.41Å; Q155-Q159 WeakPolarHBondContact O-CB 3.49Å; Q155-Q159 WeakPolarHBondContact O-CG 3.31Å; Q155-Q159 PolarHBondContact O-N 3.27Å
156L96.9Very high96.4Very high119 Ų119102.4 Ų102.462%0.62350%0.499SS*.Hα-helixtrans-67.8-40.1177.6-171.166.7000112.3R152 A153 K154 A160R152-L156 PolarHBondContact O-N 3.18Å; R152-L156 VanDerWaalsContact O-N 3.11Å; A153-L156 PolarHBondContact O-N 3.34Å; K154-L156 VanDerWaalsContact C-N 3.27Å; K154-L156 PolarHBondContact O-N 2.9Å; L156-A160 WeakPolarHBondContact O-CB 3.44Å; L156-A160 PolarHBondContact O-N 3.43Å
157S96.8Very high96.4Very high52 Ų52105.6 Ų105.636%0.36451%0.513SS..Hα-helixtrans-63.9-47.3174.9-165.20000111.4A153 K154 Q159 A160 E161A153-S157 PolarHBondContact O-N 3.48Å; K154-S157 WeakPolarHBondContact O-CB 3.49Å; K154-S157 PolarHBondContact O-N 3.43Å; K154-S157 VanDerWaalsContact O-N 3.1Å; S157-Q159 VanDerWaalsContact C-N 3.31Å; S157-Q159 PolarHBondContact O-N 3.37Å; S157-A160 PolarHBondContact O-N 3.35Å; S157-E161 WeakPolarHBondContact O-CB 3.35Å; S157-E161 WeakPolarHBondContact O-CG 3.44Å; S157-E161 PolarHBondContact O-N 3.19Å
158D97.5Very high96.4Very high74 Ų74107.9 Ų107.940%0.39652%0.522SS..Hα-helixtrans-60.8-41.6179.3-63.7-8.3000110.4K154 E161 A162K154-D158 VanDerWaalsContact CE-OD2 3.3Å; K154-D158 WeakPolarHBondContact CE-OD2 3.45Å; K154-D158 WeakPolarHBondContact O-CB 3.36Å; K154-D158 PolarHBondContact O-N 2.95Å; D158-E161 PolarHBondContact O-N 3.49Å; D158-A162 WeakPolarHBondContact O-CB 2.83Å; D158-A162 PolarHBondContact O-N 3.18Å
159Q96.7Very high96.3Very high122 Ų122110.2 Ų110.257%0.5752%0.523SS*.Hα-helixtrans-62.1-45.9173.7-76.2174.113.600112.3Q155 S157 E161 A162 L163Q155-Q159 WeakPolarHBondContact O-CB 3.49Å; Q155-Q159 WeakPolarHBondContact O-CG 3.31Å; Q155-Q159 PolarHBondContact O-N 3.27Å; S157-Q159 VanDerWaalsContact C-N 3.31Å; S157-Q159 PolarHBondContact O-N 3.37Å; Q159-E161 VanDerWaalsContact C-N 3.35Å; Q159-A162 PolarHBondContact O-N 2.92Å; Q159-L163 WeakPolarHBondContact O-CG 3.33Å; Q159-L163 PolarHBondContact O-N 3.17Å; Q159-L163 VanDerWaalsContact O-N 3.08Å
160A96.9Very high96.2Very high36 Ų36110 Ų11030%0.29853%0.53SS..Hα-helixtrans-65.2-38178.200000112.2L156 S157 R164L156-A160 WeakPolarHBondContact O-CB 3.44Å; L156-A160 PolarHBondContact O-N 3.43Å; S157-A160 PolarHBondContact O-N 3.35Å; A160-R164 WeakPolarHBondContact O-CG 3.36Å; A160-R164 PolarHBondContact O-N 3.49Å
161E96.3Very high96.2Very high85 Ų85110.2 Ų110.240%0.39753%0.531SS..Hα-helixtrans-65.8-44.1174.6-73.9178.5-166.600112.3S157 D158 Q159 L163 R164 Q165S157-E161 WeakPolarHBondContact O-CB 3.35Å; S157-E161 WeakPolarHBondContact O-CG 3.44Å; S157-E161 PolarHBondContact O-N 3.19Å; D158-E161 PolarHBondContact O-N 3.49Å; Q159-E161 VanDerWaalsContact C-N 3.35Å; E161-L163 VanDerWaalsContact C-N 3.32Å; E161-L163 PolarHBondContact O-N 3.41Å; E161-R164 WeakPolarHBondContact O-CB 3.08Å; E161-R164 PolarHBondContact O-N 3.33Å; E161-R164 VanDerWaalsContact O-N 3.13Å; E161-Q165 WeakPolarHBondContact O-CB 3.49Å; E161-Q165 WeakPolarHBondContact O-CG 3.5Å; E161-Q165 PolarHBondContact O-N 3.29Å
162A96.6Very high96.2Very high54 Ų54109.4 Ų109.445%0.44653%0.527SS..Hα-helixtrans-59.3-42.6175.500000111.9D158 Q159 Q165 R166D158-A162 WeakPolarHBondContact O-CB 2.83Å; D158-A162 PolarHBondContact O-N 3.18Å; Q159-A162 PolarHBondContact O-N 2.92Å; A162-Q165 PolarHBondContact O-N 3.33Å; A162-R166 WeakPolarHBondContact O-CB 3.44Å; A162-R166 PolarHBondContact O-N 3.47Å
163L95Very high96Very high119 Ų119104.9 Ų104.962%0.62352%0.517SS*.Hα-helixtrans-63.6-40.8174.2-70.9174.3000112.2Q159 E161 K167Q159-L163 WeakPolarHBondContact O-CG 3.33Å; Q159-L163 PolarHBondContact O-N 3.17Å; Q159-L163 VanDerWaalsContact O-N 3.08Å; E161-L163 VanDerWaalsContact C-N 3.32Å; E161-L163 PolarHBondContact O-N 3.41Å; L163-K167 WeakPolarHBondContact O-CB 3.46Å; L163-K167 PolarHBondContact O-N 3.35Å; L163-K167 VanDerWaalsContact O-N 3.08Å
164R95.7Very high95.9Very high148 Ų148109.6 Ų109.656%0.55852%0.521SS*.Hα-helixtrans-64.4-43.1175.6-76.6-174.4-71.9-118.34.3112.1A160 E161 K167 K168A160-R164 WeakPolarHBondContact O-CG 3.36Å; A160-R164 PolarHBondContact O-N 3.49Å; E161-R164 WeakPolarHBondContact O-CB 3.08Å; E161-R164 PolarHBondContact O-N 3.33Å; E161-R164 VanDerWaalsContact O-N 3.13Å; R164-K167 PolarHBondContact O-N 3.24Å; R164-K168 WeakPolarHBondContact O-CB 3.07Å; R164-K168 PolarHBondContact O-N 3.01Å
165Q96.2Very high95.8Very high111 Ų111108.4 Ų108.452%0.51952%0.518SS..Hα-helixtrans-62.9-49.9177.3-74.4175.2-6.400110.9E161 A162 K167 K168 E169E161-Q165 WeakPolarHBondContact O-CB 3.49Å; E161-Q165 WeakPolarHBondContact O-CG 3.5Å; E161-Q165 PolarHBondContact O-N 3.29Å; A162-Q165 PolarHBondContact O-N 3.33Å; Q165-K167 VanDerWaalsContact C-N 3.28Å; Q165-K167 PolarHBondContact O-N 3.29Å; Q165-K168 WeakPolarHBondContact O-CA 3.22Å; Q165-K168 WeakPolarHBondContact O-CB 3.5Å; Q165-K168 PolarHBondContact O-N 3.31Å; Q165-E169 WeakPolarHBondContact O-CG 3.19Å; Q165-E169 PolarHBondContact O-N 2.73Å
166R95.5Very high95.7Very high189 Ų189108.4 Ų108.471%0.71352%0.517SS*.Hα-helixtrans-55.8-41.8175.9-174-179.8177.4-173.5-0.1112.5A162 S170A162-R166 WeakPolarHBondContact O-CB 3.44Å; A162-R166 PolarHBondContact O-N 3.47Å; R166-S170 WeakPolarHBondContact O-CB 3.29Å; R166-S170 PolarHBondContact O-N 3.41Å
167K95.6Very high95.5Very high146 Ų146110.3 Ų110.364%0.63552%0.516SS*.Hα-helixtrans-68.8-38.2176.8-170.7174-176.7175.20112.2L163 R164 Q165 R171L163-K167 WeakPolarHBondContact O-CB 3.46Å; L163-K167 PolarHBondContact O-N 3.35Å; L163-K167 VanDerWaalsContact O-N 3.08Å; R164-K167 PolarHBondContact O-N 3.24Å; Q165-K167 VanDerWaalsContact C-N 3.28Å; Q165-K167 PolarHBondContact O-N 3.29Å; K167-R171 WeakPolarHBondContact O-CB 3.46Å; K167-R171 PolarHBondContact O-N 3.27Å; K167-R171 VanDerWaalsContact O-N 3.08Å
168K96Very high95.3Very high139 Ų139112.2 Ų112.260%0.60452%0.522SS*.Hα-helixtrans-66.1-47176.4-173.8-178.4177.7-175.20111.1R164 Q165 R171 I172R164-K168 WeakPolarHBondContact O-CB 3.07Å; R164-K168 PolarHBondContact O-N 3.01Å; Q165-K168 WeakPolarHBondContact O-CA 3.22Å; Q165-K168 WeakPolarHBondContact O-CB 3.5Å; Q165-K168 PolarHBondContact O-N 3.31Å; K168-R171 WeakPolarHBondContact O-CB 3.48Å; K168-R171 PolarHBondContact O-N 3.36Å; K168-I172 HydrophobicContact CG-CD1 4Å; K168-I172 WeakPolarHBondContact O-CG1 3.38Å; K168-I172 PolarHBondContact O-N 2.93Å
169E95.3Very high95.1Very high110 Ų110113.9 Ų113.951%0.51453%0.528SS..Hα-helixtrans-60.9-45.7176.1-71.7166.4-169.700111.5Q165 R171 I172 N173Q165-E169 WeakPolarHBondContact O-CG 3.19Å; Q165-E169 PolarHBondContact O-N 2.73Å; E169-R171 VanDerWaalsContact C-N 3.26Å; E169-R171 PolarHBondContact O-N 3.28Å; E169-I172 PolarHBondContact O-N 3.3Å; E169-N173 WeakPolarHBondContact O-CB 3.27Å; E169-N173 PolarHBondContact O-N 2.59Å; E169-N173 PolarHBondContact O-OD1 3.32Å
170S94.3Very high94.9Very high76 Ų76112.9 Ų112.953%0.53152%0.523SS..Hα-helixtrans-59.5-36.7174.8175.40000112.7R166 R174R166-S170 WeakPolarHBondContact O-CB 3.29Å; R166-S170 PolarHBondContact O-N 3.41Å; S170-R174 WeakPolarHBondContact O-CB 3.5Å; S170-R174 PolarHBondContact O-N 2.84Å
171R94.5Very high94.6Very high149 Ų149119.9 Ų119.956%0.56254%0.542SS*.Hα-helixtrans-67.5-47.8175.3-175.1-174.1-62.3174.7-3.1111.6K167 K168 E169 R174 Q175K167-R171 WeakPolarHBondContact O-CB 3.46Å; K167-R171 PolarHBondContact O-N 3.27Å; K167-R171 VanDerWaalsContact O-N 3.08Å; K168-R171 WeakPolarHBondContact O-CB 3.48Å; K168-R171 PolarHBondContact O-N 3.36Å; E169-R171 VanDerWaalsContact C-N 3.26Å; E169-R171 PolarHBondContact O-N 3.28Å; R171-R174 PolarHBondContact O-N 2.86Å; R171-Q175 WeakPolarHBondContact O-CG 3.45Å; R171-Q175 PolarHBondContact O-N 2.99Å
172I95.9Very high94.4Very high84 Ų84122.9 Ų122.943%0.43155%0.553SS.*Hα-helixtrans-60.4-47.2177.8-67.8166.8000109.8K168 E169 R174 Q175 H176K168-I172 HydrophobicContact CG-CD1 4Å; K168-I172 WeakPolarHBondContact O-CG1 3.38Å; K168-I172 PolarHBondContact O-N 2.93Å; E169-I172 PolarHBondContact O-N 3.3Å; I172-R174 VanDerWaalsContact C-N 3.27Å; I172-R174 PolarHBondContact O-N 3.34Å; I172-Q175 PolarHBondContact O-N 3.06Å; I172-Q175 VanDerWaalsContact O-N 3.11Å; I172-H176 PolarHBondContact O-N 3.35Å
173N94.1Very high94.2Very high99 Ų99126.4 Ų126.453%0.52956%0.559SS.*Hα-helixtrans-63.8-31177.8-66.4-2000112.5E169 R177E169-N173 WeakPolarHBondContact O-CB 3.27Å; E169-N173 PolarHBondContact O-N 2.59Å; E169-N173 PolarHBondContact O-OD1 3.32Å; N173-R177 WeakPolarHBondContact O-CB 3.44Å; N173-R177 VanDerWaalsContact O-CG 3.28Å; N173-R177 WeakPolarHBondContact O-CG 3.31Å; N173-R177 PolarHBondContact O-N 2.94Å; N173-R177 VanDerWaalsContact O-N 3.16Å; N173-R177 PolarHBondContact O-NE 2.89Å
174R94.1Very high93.9Very high162 Ų162123.3 Ų123.361%0.61155%0.55SS*.Hα-helixtrans-70.6-42.8172.3-177.2179.6177.1-128.51.6111.5S170 R171 I172 R177 L178S170-R174 WeakPolarHBondContact O-CB 3.5Å; S170-R174 PolarHBondContact O-N 2.84Å; R171-R174 PolarHBondContact O-N 2.86Å; I172-R174 VanDerWaalsContact C-N 3.27Å; I172-R174 PolarHBondContact O-N 3.34Å; R174-R177 PolarHBondContact O-N 3.17Å; R174-L178 HydrophobicContact CG-CD1 4.28Å; R174-L178 WeakPolarHBondContact O-CG 3.37Å; R174-L178 PolarHBondContact O-N 3.47Å
175Q94.8Very high93.6Very high101 Ų101120.3 Ų120.347%0.47255%0.548SS..Hα-helixtrans-62.1-47.9176.6-73.9172.3-35.500110.8R171 I172 R177 L178 E179R171-Q175 WeakPolarHBondContact O-CG 3.45Å; R171-Q175 PolarHBondContact O-N 2.99Å; I172-Q175 PolarHBondContact O-N 3.06Å; I172-Q175 VanDerWaalsContact O-N 3.11Å; Q175-R177 PolarHBondContact O-N 3.38Å; Q175-L178 PolarHBondContact O-N 3.18Å; Q175-L178 VanDerWaalsContact O-N 3.08Å; Q175-E179 WeakPolarHBondContact O-CG 3.46Å; Q175-E179 PolarHBondContact O-N 3.17Å
176H94.5Very high93.1Very high101 Ų101119 Ų11947%0.46854%0.544SS..Hα-helixtrans-54.7-48.8175.3-166.1-90.7000112I172 L178 E179 E180I172-H176 PolarHBondContact O-N 3.35Å; H176-L178 VanDerWaalsContact C-N 3.32Å; H176-L178 PolarHBondContact O-N 2.95Å; H176-E179 PolarHBondContact O-N 3.09Å; H176-E180 IonicContact CE1-OE1 3.36Å; H176-E180 PolarHBondContact CE1-OE1 3.37Å; H176-E180 IonicContact CE1-OE2 3.85Å; H176-E180 IonicContact ND1-OE1 3.05Å; H176-E180 PolarHBondContact ND1-OE1 3.3Å; H176-E180 IonicContact ND1-OE2 3.25Å; H176-E180 PolarHBondContact ND1-OE2 3.21Å; H176-E180 WeakPolarHBondContact O-CB 3.21Å; H176-E180 WeakPolarHBondContact O-CG 3.43Å; H176-E180 PolarHBondContact O-N 3.47Å
177R92.8Very high92.7Very high159 Ų159116.3 Ų116.360%0.654%0.539SS*.Hα-helixtrans-61.1-36.6176.7-76.1-175.7-64.4178.32.8113.6N173 R174 Q175 R181N173-R177 WeakPolarHBondContact O-CB 3.44Å; N173-R177 VanDerWaalsContact O-CG 3.28Å; N173-R177 WeakPolarHBondContact O-CG 3.31Å; N173-R177 PolarHBondContact O-N 2.94Å; N173-R177 VanDerWaalsContact O-N 3.16Å; N173-R177 PolarHBondContact O-NE 2.89Å; R174-R177 PolarHBondContact O-N 3.17Å; Q175-R177 PolarHBondContact O-N 3.38Å; R177-R181 VanDerWaalsContact O-CB 3.27Å; R177-R181 WeakPolarHBondContact O-CB 3.47Å; R177-R181 PolarHBondContact O-N 2.95Å
178L93.1Very high92.1Very high92 Ų92112.8 Ų112.848%0.48253%0.533SS..Hα-helixtrans-71.6-39.2177-72.2172.4000111.6R174 Q175 H176 R181 K182R174-L178 HydrophobicContact CG-CD1 4.28Å; R174-L178 WeakPolarHBondContact O-CG 3.37Å; R174-L178 PolarHBondContact O-N 3.47Å; Q175-L178 PolarHBondContact O-N 3.18Å; Q175-L178 VanDerWaalsContact O-N 3.08Å; H176-L178 VanDerWaalsContact C-N 3.32Å; H176-L178 PolarHBondContact O-N 2.95Å; L178-R181 PolarHBondContact O-N 3.25Å; L178-K182 WeakPolarHBondContact O-CB 3.47Å; L178-K182 PolarHBondContact O-N 3.16Å
179E92.8Very high91.4Very high110 Ų110112.5 Ų112.551%0.51453%0.532SS..Hα-helixtrans-66.3-45.4175.5-72.7170.4-163.400111.6Q175 H176 K182 K183Q175-E179 WeakPolarHBondContact O-CG 3.46Å; Q175-E179 PolarHBondContact O-N 3.17Å; H176-E179 PolarHBondContact O-N 3.09Å; E179-K182 PolarHBondContact O-N 3.37Å; E179-K183 WeakPolarHBondContact O-CB 3.27Å; E179-K183 WeakPolarHBondContact O-CG 3.3Å; E179-K183 PolarHBondContact O-N 3.01Å
180E92.4Very high90.7Very high100 Ų100111.8 Ų111.847%0.46753%0.531SS..Hα-helixtrans-59.1-45.2172.5-74.4178.613600111.3H176 K182 K183 A184H176-E180 IonicContact CE1-OE1 3.36Å; H176-E180 PolarHBondContact CE1-OE1 3.37Å; H176-E180 IonicContact CE1-OE2 3.85Å; H176-E180 IonicContact ND1-OE1 3.05Å; H176-E180 PolarHBondContact ND1-OE1 3.3Å; H176-E180 IonicContact ND1-OE2 3.25Å; H176-E180 PolarHBondContact ND1-OE2 3.21Å; H176-E180 WeakPolarHBondContact O-CB 3.21Å; H176-E180 WeakPolarHBondContact O-CG 3.43Å; H176-E180 PolarHBondContact O-N 3.47Å; E180-K182 VanDerWaalsContact C-N 3.35Å; E180-K182 PolarHBondContact O-N 3.43Å; E180-K183 PolarHBondContact O-N 3.13Å; E180-A184 WeakPolarHBondContact O-CB 3.45Å; E180-A184 PolarHBondContact O-N 3.39Å
181R91.1Very high89.8Confident184 Ų184110.6 Ų110.669%0.69453%0.526SS*.Hα-helixtrans-62.2-41.3175.7-173.9177.8176.6-178.8-0.8111.8R177 L178 A184 V185R177-R181 VanDerWaalsContact O-CB 3.27Å; R177-R181 WeakPolarHBondContact O-CB 3.47Å; R177-R181 PolarHBondContact O-N 2.95Å; L178-R181 PolarHBondContact O-N 3.25Å; R181-A184 PolarHBondContact O-N 2.94Å; R181-V185 VanDerWaalsContact O-CG2 3.25Å; R181-V185 WeakPolarHBondContact O-CG2 3.46Å; R181-V185 PolarHBondContact O-N 3.49Å
182K91.5Very high88.5Confident148 Ų148106.7 Ų106.764%0.64353%0.526SS*.Hα-helixtrans-64.5-44.5177.1-173.8179.9178.4-1770111.3L178 E179 E180 V185 I186L178-K182 WeakPolarHBondContact O-CB 3.47Å; L178-K182 PolarHBondContact O-N 3.16Å; E179-K182 PolarHBondContact O-N 3.37Å; E180-K182 VanDerWaalsContact C-N 3.35Å; E180-K182 PolarHBondContact O-N 3.43Å; K182-V185 PolarHBondContact O-N 3.28Å; K182-I186 HydrophobicContact CG-CD1 4.11Å; K182-I186 VanDerWaalsContact O-CG1 3.31Å; K182-I186 WeakPolarHBondContact O-CG1 3.25Å; K182-I186 PolarHBondContact O-N 3.02Å
183K92Very high86.9Confident128 Ų128107.5 Ų107.556%0.55753%0.534SS*.Hα-helixtrans-60.5-48.4174.8-72.9175.7-178.9179.60111.3E179 E180 V185 I186 E187E179-K183 WeakPolarHBondContact O-CB 3.27Å; E179-K183 WeakPolarHBondContact O-CG 3.3Å; E179-K183 PolarHBondContact O-N 3.01Å; E180-K183 PolarHBondContact O-N 3.13Å; K183-V185 VanDerWaalsContact C-N 3.33Å; K183-V185 PolarHBondContact O-N 3.16Å; K183-I186 PolarHBondContact O-N 3.18Å; K183-I186 VanDerWaalsContact O-N 3.16Å; K183-E187 WeakPolarHBondContact O-CB 3.44Å; K183-E187 WeakPolarHBondContact O-CG 3.47Å; K183-E187 PolarHBondContact O-N 2.89Å
184A90Very high85.3Confident53 Ų53106.6 Ų106.644%0.43854%0.54SS..Hα-helixtrans-60.8-38.3177.800000112.9E180 R181 S188E180-A184 WeakPolarHBondContact O-CB 3.45Å; E180-A184 PolarHBondContact O-N 3.39Å; R181-A184 PolarHBondContact O-N 2.94Å; A184-S188 VanDerWaalsContact O-CB 3.32Å; A184-S188 WeakPolarHBondContact O-CB 3.29Å; A184-S188 PolarHBondContact O-N 3.27Å; A184-S188 PolarHBondContact O-OG 3.37Å
185V88.8Confident83.1Confident85 Ų85107.1 Ų107.152%0.51555%0.547SS..Hα-helixtrans-65.5-44.8174.8170.10000111R181 K182 K183 S188 F189R181-V185 VanDerWaalsContact O-CG2 3.25Å; R181-V185 WeakPolarHBondContact O-CG2 3.46Å; R181-V185 PolarHBondContact O-N 3.49Å; K182-V185 PolarHBondContact O-N 3.28Å; K183-V185 VanDerWaalsContact C-N 3.33Å; K183-V185 PolarHBondContact O-N 3.16Å; V185-S188 WeakPolarHBondContact CA-OG 3.3Å; V185-S188 PolarHBondContact O-N 3.3Å; V185-S188 PolarHBondContact O-OG 2.83Å; V185-F189 WeakPolarHBondContact O-CB 3.46Å; V185-F189 PolarHBondContact O-N 3.23Å
186I86.8Confident80.6Confident85 Ų85106.9 Ų106.944%0.43655%0.554SS.*Hα-helixtrans-62.6-44.7176.8-66.9164.8000110.7K182 K183 S188 F189 N190K182-I186 HydrophobicContact CG-CD1 4.11Å; K182-I186 VanDerWaalsContact O-CG1 3.31Å; K182-I186 WeakPolarHBondContact O-CG1 3.25Å; K182-I186 PolarHBondContact O-N 3.02Å; K183-I186 PolarHBondContact O-N 3.18Å; K183-I186 VanDerWaalsContact O-N 3.16Å; I186-S188 PolarHBondContact O-N 3.19Å; I186-F189 PolarHBondContact O-N 2.86Å; I186-N190 WeakPolarHBondContact O-CB 3.33Å; I186-N190 VanDerWaalsContact O-CG 3.24Å; I186-N190 PolarHBondContact O-N 3.44Å; I186-N190 PolarHBondContact O-ND2 2.82Å
187E86.1Confident78Confident132 Ų132108.2 Ų108.262%0.61757%0.57SS**Hα-helixtrans-61.6-41.9175.3-76171-168.200111.9K183 F189 N190 A191K183-E187 WeakPolarHBondContact O-CB 3.44Å; K183-E187 WeakPolarHBondContact O-CG 3.47Å; K183-E187 PolarHBondContact O-N 2.89Å; E187-F189 PolarHBondContact O-N 2.98Å; E187-N190 PolarHBondContact O-N 2.9Å; E187-A191 VanDerWaalsContact O-CB 3.26Å; E187-A191 WeakPolarHBondContact O-CB 3.39Å; E187-A191 PolarHBondContact O-N 3Å
188S83.5Confident75.9Confident71 Ų71107.5 Ų107.550%0.49758%0.584SS.*Hα-helixtrans-64.6-38.3176.173.70000112.7A184 V185 I186 A191 A192A184-S188 VanDerWaalsContact O-CB 3.32Å; A184-S188 WeakPolarHBondContact O-CB 3.29Å; A184-S188 PolarHBondContact O-N 3.27Å; A184-S188 PolarHBondContact O-OG 3.37Å; V185-S188 WeakPolarHBondContact CA-OG 3.3Å; V185-S188 PolarHBondContact O-N 3.3Å; V185-S188 PolarHBondContact O-OG 2.83Å; I186-S188 PolarHBondContact O-N 3.19Å; S188-A191 PolarHBondContact O-N 3.32Å; S188-A192 WeakPolarHBondContact O-CB 3.36Å; S188-A192 PolarHBondContact O-N 3.33Å
189F80.7Confident73.3Confident134 Ų134108.8 Ų108.859%0.58860%0.597SS**Hα-helixtrans-68.2-44.7175.8-176.7-97000111.1V185 I186 E187 A191 A192 V193V185-F189 WeakPolarHBondContact O-CB 3.46Å; V185-F189 PolarHBondContact O-N 3.23Å; I186-F189 PolarHBondContact O-N 2.86Å; E187-F189 PolarHBondContact O-N 2.98Å; F189-A191 VanDerWaalsContact C-N 3.32Å; F189-A191 PolarHBondContact O-N 3.08Å; F189-A192 PolarHBondContact O-N 3.5Å; F189-V193 HydrophobicContact CD1-CG2 4.21Å; F189-V193 HydrophobicContact CE1-CG2 3.82Å; F189-V193 HydrophobicContact CE2-CG2 4.35Å; F189-V193 HydrophobicContact CZ-CG2 3.9Å; F189-V193 WeakPolarHBondContact O-CG2 3.36Å; F189-V193 PolarHBondContact O-N 3.47Å
190N80.1Confident70.9Confident95 Ų95110 Ų11051%0.50861%0.612SS.*Hα-helixtrans-61.8-40.1174.8-70.5-17.4000111.6I186 E187 V193 A194I186-N190 WeakPolarHBondContact O-CB 3.33Å; I186-N190 VanDerWaalsContact O-CG 3.24Å; I186-N190 PolarHBondContact O-N 3.44Å; I186-N190 PolarHBondContact O-ND2 2.82Å; E187-N190 PolarHBondContact O-N 2.9Å; N190-V193 PolarHBondContact O-N 3.05Å; N190-A194 WeakPolarHBondContact O-CB 3.39Å; N190-A194 PolarHBondContact O-N 3.15Å
191A76.1Confident68.5Low50 Ų50109 Ų10941%0.41362%0.621SS.*Hα-helixtrans-68.4-31.8175.800000113E187 S188 F189 K195E187-A191 VanDerWaalsContact O-CB 3.26Å; E187-A191 WeakPolarHBondContact O-CB 3.39Å; E187-A191 PolarHBondContact O-N 3Å; S188-A191 PolarHBondContact O-N 3.32Å; F189-A191 VanDerWaalsContact C-N 3.32Å; F189-A191 PolarHBondContact O-N 3.08Å; A191-K195 WeakPolarHBondContact O-CG 3.4Å
192A67Low66.3Low68 Ų68109.2 Ų109.256%0.56263%0.63SS**Hα-helixtrans-73.4-40.8174.700000112.1S188 F189 K195S188-A192 WeakPolarHBondContact O-CB 3.36Å; S188-A192 PolarHBondContact O-N 3.33Å; F189-A192 PolarHBondContact O-N 3.5Å; A192-K195 PolarHBondContact O-N 3.48Å
193V63.8Low63.8Low100 Ų100111.6 Ų111.661%0.60664%0.64SS**Hα-helixtrans-71.3-33.9176.7173.60000111.8F189 N190 K195F189-V193 HydrophobicContact CD1-CG2 4.21Å; F189-V193 HydrophobicContact CE1-CG2 3.82Å; F189-V193 HydrophobicContact CE2-CG2 4.35Å; F189-V193 HydrophobicContact CZ-CG2 3.9Å; F189-V193 WeakPolarHBondContact O-CG2 3.36Å; F189-V193 PolarHBondContact O-N 3.47Å; N190-V193 PolarHBondContact O-N 3.05Å; V193-K195 PolarHBondContact O-N 2.71Å
194A58.7Low61.6Low80 Ų80111.2 Ų111.266%0.66165%0.651SS**THydrogen-bonded Turntrans-77.50176.500000114.2N190 P196N190-A194 WeakPolarHBondContact O-CB 3.39Å; N190-A194 PolarHBondContact O-N 3.15Å; A194-P196 VanDerWaalsContact C-CD 3.43Å; A194-P196 WeakPolarHBondContact O-CD 3.28Å
195K48.3Very low59.1Low173 Ų173114.7 Ų114.775%0.75267%0.667SS**  trans-11578.6175.1-74-176179.3-173.90112.1A191 A192 V193A191-K195 WeakPolarHBondContact O-CG 3.4Å; A192-K195 PolarHBondContact O-N 3.48Å; V193-K195 PolarHBondContact O-N 2.71Å
196P42.3Very low57.2Low96 Ų96116.1 Ų116.162%0.62368%0.678SS**  trans-86127.815532.5-25000109.7A194A194-P196 VanDerWaalsContact C-CD 3.43Å; A194-P196 WeakPolarHBondContact O-CD 3.28Å
197T39.9Very low55.2Low130 Ų130117.5 Ų117.580%0.79870%0.695SS**  trans59.3103.3149.658.50000119.1
198T48Very low53.1Low144 Ų144117.5 Ų117.588%0.88370%0.703SS**  trans-162.6123.2136.59.50000109.2
199P39.9Very low51.3Low118 Ų118122.9 Ų122.977%0.76672%0.721SS**  trans-95.4168.9-178.236-29.5000112.6
200V41.6Very low49.3Very low136 Ų136122.3 Ų122.382%0.82473%0.729SS**  trans86.8111.3163-163.40000116.6
201A42.8Very low47.9Very low80 Ų80127.2 Ų127.266%0.66175%0.745SS**  153.8112.8116.500000113.5
202Q45.6Very low46.3Very low187 Ų187130.4 Ų130.487%0.87476%0.762SS**  trans62.3121.3131-58.8177.90.200121.7
203K38.4Very low45.1Very low199 Ų199135.9 Ų135.987%0.86577%0.773SS**  trans-29.3146.4156.1-91.2176.9176.3178.10114
204P44.5Very low44Very low119 Ų119138.4 Ų138.477%0.77378%0.781SS**  -145.8154.981.233.3-13.4000116.7
205T38.7Very low43.1Very low127 Ų127143 Ų14378%0.77979%0.789SS**  trans-52147.2159.140.20000111.5
206P48.7Very low42.6Very low115 Ų115139 Ų13975%0.74779%0.788SS**  -153.3164.297.336.2-16.6000117.4
207S45.3Very low42.6Very low113 Ų113143.8 Ų143.879%0.7980%0.799SS**  trans65.995.2144.3-69.40000121.3E209S207-E209 PolarHBondContact O-N 3.18Å
208V41.3Very low42.6Very low132 Ų132144 Ų14480%0.880%0.801SS**  -16118126.3-178.20000113.7
209E46.1Very low42.2Very low184 Ų184141.5 Ų141.586%0.8680%0.795SS**  trans-146.9107.5144.8-118.1-178.5-16200110.4S207S207-E209 PolarHBondContact O-N 3.18Å
210T38.8Very low42.5Very low123 Ų123142 Ų14276%0.75580%0.798SS**  trans-65.4131.8170.439.40000111.4
211K50.8Low42.4Very low197 Ų197140 Ų14086%0.85780%0.796SS**  trans-131.1139.8152.2-78.6-172.7-179.1175.60111.8
212P42.8Very low42.7Very low118 Ų118142 Ų14277%0.76681%0.805SS**  trans-105.6155.5-15613.59.7000113.6
213K39.9Very low42.8Very low183 Ų183139.5 Ų139.580%0.79680%0.802SS**  47.699.9129.9-148.7164.1-174.7174.40117.2
214I41.5Very low43.1Very low152 Ų152135.6 Ų135.678%0.77980%0.797SS**  50.6101.499.7-54.5168.8000113.2
215E40.2Very low43.4Very low177 Ų177134.7 Ų134.783%0.82780%0.799SS**  trans-130.799152.9-75.8-166.4168.300109.7
216A38.2Very low43.4Very low88 Ų88134.2 Ų134.273%0.72780%0.798SS**  trans-85.6112.6161.100000107.7T218A216-T218 PolarHBondContact O-N 3.46Å
217K41.2Very low43.2Very low198 Ų198135.5 Ų135.586%0.86180%0.804SS**  trans-78.8110.8170.2-86.7179.1177.2173.60110.2
218T40.1Very low43.2Very low134 Ų134135.6 Ų135.682%0.82280%0.8SS**  trans-64.8148.1164.126.90000112A216A216-T218 PolarHBondContact O-N 3.46Å
219A40.8Very low43.2Very low92 Ų92135.3 Ų135.376%0.7680%0.798SS**  trans-62.4168.4169.500000112.3
220P45.3Very low42.9Very low128 Ų128131.6 Ų131.683%0.83179%0.79SS**  -133.1131.6123.932.5-20.1000112.7
221A40.1Very low42.7Very low95 Ų95132.3 Ų132.379%0.78579%0.794SS**  trans-68.7140.6157.800000109.4
222S48.1Very low42.1Very low122 Ų122128.4 Ų128.485%0.85379%0.792SS**  trans-129.8133.2156.968.30000109.7
223V48.3Very low42.4Very low133 Ų133131.9 Ų131.981%0.80680%0.798SS**  trans-141.4166.9169.2-139.50000103.6
224P44.4Very low42.6Very low118 Ų118129.1 Ų129.177%0.76680%0.799SS**  cis-128.4170.5-27.417.95.8000112
225A50Low42.7Very low99 Ų99127.5 Ų127.582%0.81880%0.801SS**  trans-165.4136.5141.500000111.3
226P39.3Very low42.7Very low117 Ų117124 Ų12476%0.7680%0.802SS**  trans-106.8133.2-173.836.2-26.3000113.2
227V44.9Very low42.9Very low143 Ų143124.1 Ų124.187%0.86780%0.803SS**  trans-149.395.1159.5-170.40000112.2
228V44Very low42.6Very low115 Ų115124.8 Ų124.870%0.69781%0.806SS**  32.6103.4126.8-166.30000121
229T42.4Very low42.8Very low125 Ų125124.6 Ų124.677%0.76781%0.805SS**  trans76.1162.6135720000122
230P40.6Very low42.8Very low107 Ų107129.1 Ų129.170%0.69581%0.81SS**  -136.3168.7-6739.4-21.5000114.2
231T32.9Very low43.3Very low137 Ų137129.3 Ų129.384%0.8481%0.808SS**  trans82.193.5154.5-38.70000118.7
232S40Very low43.8Very low115 Ų115130.3 Ų130.380%0.80481%0.807SS**  trans-154.9137.5142.656.30000110.6
233Q47.4Very low43.7Very low192 Ų192131.4 Ų131.490%0.89781%0.809SS**  trans-51.9152.9179.6-59.7169.7-13.600112.8
234P45.1Very low44.2Very low125 Ų125134.5 Ų134.581%0.81281%0.811SS**  trans-114130.1153.328.4-14.5000112.2
235S44.2Very low44.3Very low118 Ų118134.6 Ų134.683%0.82581%0.812SS**PPolyproline II helixtrans-49.2152.5163.4-172.50000112.7A237S235-A237 PolarHBondContact O-N 3.48Å
236A38.8Very low44.4Very low102 Ų102134.6 Ų134.684%0.84381%0.812SS**PPolyproline II helixtrans-65.4121.4-176.300000112.5
237A43.2Very low45.4Very low92 Ų92134.6 Ų134.676%0.7681%0.812SS**PPolyproline II helixtrans-99.6127.8163.800000110.2S235S235-A237 PolarHBondContact O-N 3.48Å
238K35.5Very low45.4Very low211 Ų211133.9 Ų133.992%0.91781%0.81SS**  trans-44.8129.8172-112.7156.5169.2175.60111.7
239V43.4Very low45.2Very low131 Ų131138.3 Ų138.379%0.79482%0.82SS**  trans-119.8113.3162.9176.40000107.4
240E41.5Very low45.6Very low187 Ų187139 Ų13987%0.87482%0.824SS**PPolyproline II helixtrans-58.5135.6169.1-106.4168.1144.700111
241V55.6Low45.6Very low131 Ų131138.4 Ų138.479%0.79483%0.828SS**PPolyproline II helixtrans-101125.1177.3175.30000108.1
242P49.9Very low46.5Very low117 Ų117137.3 Ų137.376%0.7683%0.826SS**PPolyproline II helixtrans-75.6138.3171.729.1-30.3000111
243T46.7Very low46.6Very low144 Ų144142.2 Ų142.288%0.88383%0.833SS**PPolyproline II helixtrans-59.7140.2-178.933.30000113.2
244K58.1Low47Very low198 Ų198139.5 Ų139.586%0.86183%0.829SS**  trans-107.1138.2175.4-169.7179.1-178.1-176.90109.2
245P47.6Very low47.9Very low121 Ų121137.8 Ų137.879%0.78683%0.825SS**PPolyproline II helixtrans-77.8148.9-179.531.7-33000111.9
246A50.7Low49.1Very low98 Ų98137.9 Ų137.981%0.8182%0.823SS**PPolyproline II helixtrans-76.9147.5-172.200000113.8
247P61Low50.5Low117 Ų117138.6 Ų138.676%0.7682%0.819SS**PPolyproline II helixtrans-93.5157.8162.135.1-29000112
248P45.6Very low51.6Low129 Ų129140 Ų14084%0.83882%0.82SS**PPolyproline II helixtrans-77.3154.8-168.432-34000113.5
249K40.1Very low52.7Low208 Ų208140 Ų14090%0.90482%0.821SS**PPolyproline II helixtrans-70.1124.7-175-65.6172.2177.5175.60111.6
250V50.5Low53.6Low140 Ų140141.3 Ų141.385%0.84882%0.821SS**  trans-128121152.5-176.90000107.8
251A40.4Very low54.2Low94 Ų94137.9 Ų137.978%0.77782%0.815SS**  trans-74131-175.700000111.2
252S50.5Low54.3Low114 Ų114138.4 Ų138.480%0.79782%0.819SS**  trans-153.4110.4157.9-70.30000108.6V254S252-V254 PolarHBondContact O-N 2.97Å
253K42.6Very low54.5Low217 Ų217137.4 Ų137.494%0.94382%0.821SS**  trans-60.9111178.8-76169.2171.4173.80110.5
254V56.8Low55.1Low136 Ų136140.3 Ų140.382%0.82482%0.821SS**  trans-139119.4158.9-178.20000108.4S252S252-V254 PolarHBondContact O-N 2.97Å
255A63.6Low55.5Low89 Ų89137.1 Ų137.174%0.73682%0.819SS**PPolyproline II helixtrans-66.3143.1-175.500000112.3
256P69.9Low56.2Low119 Ų119137 Ų13777%0.77382%0.818SS**PPolyproline II helixtrans-76.1146.5175.830.7-32.3000111.5
257P68.2Low57.1Low117 Ų117137 Ų13776%0.7682%0.818SS**PPolyproline II helixtrans-69.9153-179.628.8-34.6000112.5
258P65.2Low57.7Low121 Ų121135.8 Ų135.879%0.78682%0.817SS**PPolyproline II helixtrans-70.4142.7-174.128.7-33.9000112.5I260P258-I260 PolarHBondContact O-N 3.17Å
259K58.1Low59Low213 Ų213135.1 Ų135.193%0.92681%0.813SS**PPolyproline II helixtrans-69.3116.4176.7-70.7176.6179.9174.30110.3
260I62.7Low60.6Low157 Ų157131.1 Ų131.181%0.80581%0.808SS**PPolyproline II helixtrans-71.6131.1171.7-57.8169.2000108.7P258 T262P258-I260 PolarHBondContact O-N 3.17Å; I260-T262 PolarHBondContact O-N 3.28Å
261P55.5Low61.7Low116 Ų116134.4 Ų134.475%0.75381%0.811SS**PPolyproline II helixtrans-70.8126.5177.327.6-31000110.3A263P261-A263 PolarHBondContact O-N 3.05Å
262T56.6Low63.1Low141 Ų141137.2 Ų137.287%0.86581%0.811SS**  trans-62.2113172.439.30000110I260 K264I260-T262 PolarHBondContact O-N 3.28Å; T262-K264 PolarHBondContact O-N 3.31Å
263A55.2Low64Low97 Ų97137.4 Ų137.480%0.80281%0.81SS**PPolyproline II helixtrans-59.5132.6174.300000111.2P261 T265P261-A263 PolarHBondContact O-N 3.05Å; A263-T265 PolarHBondContact O-N 3.5Å
264K59Low65.2Low204 Ų204135.8 Ų135.889%0.88781%0.806SS**PPolyproline II helixtrans-47.6127.3175.7-71.8174.2175178.30111.4T262T262-K264 PolarHBondContact O-N 3.31Å
265T66Low65.6Low132 Ų132135.4 Ų135.481%0.8181%0.806SS**PPolyproline II helixtrans-52.5128.8167.3-39.90000109.8A263A263-T265 PolarHBondContact O-N 3.5Å
266P62.2Low65.2Low118 Ų118134.6 Ų134.677%0.76681%0.807SS**PPolyproline II helixtrans-69.6136.4175.728.1-31.9000109.9
267A69.8Low63.9Low98 Ų98134.9 Ų134.981%0.8181%0.812SS**PPolyproline II helixtrans-54.2143.6-179.900000112.6
268A73.6Confident63.2Low91 Ų91133.5 Ų133.575%0.75281%0.81SS**PPolyproline II helixtrans-62.3139.5175.400000110.8
269P73.4Confident62.6Low116 Ų116137.2 Ų137.275%0.75381%0.814SS**PPolyproline II helixtrans-66.2147176.227.4-33.3000111
270P73.3Confident62Low123 Ų123133.1 Ų133.180%0.79981%0.812SS**PPolyproline II helixtrans-63.5136.7-178.825.6-33000111.4I272P270-I272 PolarHBondContact O-N 3.25Å
271K72.4Confident61.5Low209 Ų209130.2 Ų130.291%0.90981%0.811SS**PPolyproline II helixtrans-63.6122.4171.8-82.7179.4175.9178.90109.2
272I70.1Confident61.2Low153 Ų153130.5 Ų130.579%0.78582%0.816SS**PPolyproline II helixtrans-73.4132.5168.9-59.2166.9000107.2P270P270-I272 PolarHBondContact O-N 3.25Å
273P69.1Low61.2Low119 Ų119129.6 Ų129.677%0.77382%0.816SS**PPolyproline II helixtrans-67.4131.7174.5-11.625.9000110.3
274E69.5Low61.2Low182 Ų182134.6 Ų134.685%0.8582%0.819SS**PPolyproline II helixtrans-68.2141.8168.5-64.6-170.8160.400109.8G276E274-G276 PolarHBondContact O-N 3.16Å
275P64Low60.9Low129 Ų129134 Ų13484%0.83882%0.817SS**  trans-68.8107.617527.8-30.9000108.9S277P275-S277 PolarHBondContact O-N 3.01Å; P275-S277 VanDerWaalsContact O-N 3.11Å
276G54.6Low60.4Low72 Ų72132.7 Ų132.774%0.74281%0.81SS**  trans-59.7111.4173.800000110.8E274 A278E274-G276 PolarHBondContact O-N 3.16Å; G276-A278 PolarHBondContact O-N 3.16Å; G276-A278 VanDerWaalsContact O-N 3.13Å
277S44.3Very low60.1Low125 Ų125133.3 Ų133.387%0.87481%0.812SS**  trans-63.599.7159.650.90000108.8P275P275-S277 PolarHBondContact O-N 3.01Å; P275-S277 VanDerWaalsContact O-N 3.11Å
278A52.6Low59.7Low87 Ų87138.3 Ų138.372%0.71982%0.816SS**  trans-129.7101172.400000110.7G276G276-A278 PolarHBondContact O-N 3.16Å; G276-A278 VanDerWaalsContact O-N 3.13Å
279K53.2Low58.9Low200 Ų200149.2 Ų149.287%0.8784%0.837SS**  trans62.7102.9142.1-64.2-178.2178.5178.90118.1A281K279-A281 PolarHBondContact O-N 3.22Å
280S44.4Very low58.1Low126 Ų126150.9 Ų150.988%0.88184%0.842SS**  trans-44.5115.6143.251.60000111.1
281A52.6Low57.4Low97 Ų97152.4 Ų152.480%0.80284%0.844SS**  trans-115.3102.7157.800000107.2K279K279-A281 PolarHBondContact O-N 3.22Å
282S50.2Low56.5Low122 Ų122149.2 Ų149.285%0.85384%0.84SS**  trans-69.6122.4165.258.80000108.9
283S56.2Low55.7Low122 Ų122149 Ų14985%0.85384%0.843SS**  trans-131.7132.7154.868.60000109.6
284K53.9Low54.9Low201 Ų201150.9 Ų150.987%0.87485%0.848SS**  trans-80.9136.4-169-72.2166.8167.5174.10110.9
285K53.6Low53.9Low192 Ų192148.8 Ų148.884%0.83585%0.848SS**  trans56.3167.7137.2-99.9-175.1172.8-177.50119.2
286P54.5Low53.2Low105 Ų105150.2 Ų150.268%0.68285%0.848SS**  cis-133.6162.7-725.8-2.6000115.9
287T56.2Low53.1Low131 Ų131156.2 Ų156.280%0.80486%0.857SS**  trans-45.3140158.641.50000114.7
288K61.8Low53.8Low203 Ų203158.8 Ų158.888%0.88386%0.855SS**  trans-149.6120.9157-149.1177.3-172.1-178.90110.6
289R56.5Low53.9Low320 Ų320165.4 Ų165.4100%1.20887%0.868SS**  trans64.50171.9-89.6-176.6169.3-155.6-3.1118.8

Retrieved 289 of 289 residues in 156.5 ms (Link to these results)

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