A0A5K4FDI4_SCHMA Loading...

Actin-related protein 2/3 complex subunit 4

Functions as actin-binding component of the Arp2/3 complex which is involved in regulation of actin polymerization and together with an activating nucleation-promoting factor (NPF) mediates the formation of branched actin networks. Seems to contact the mother actin filament.

AlphaFold DB , UniProt , Accession A0A5K4FDI4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 167 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
1M63.8Low93.3Very high232 Ų23270.8 Ų70.8100%1.14338%0.377SS*.  0-32.90-70.6-178.5-165.200114.1
2A89.6Confident93.8Very high54 Ų5476 Ų7645%0.44640%0.397SS..  trans-86.3-7.9-176.400000117.2Y6 R53A2-Y6 WeakPolarHBondContact O-CB 3.3Å; A2-Y6 PolarHBondContact O-N 2.93Å; A2-R53 HydrophobicContact CB-CG 4.38Å
3L93Very high94.1Very high46 Ų4673.2 Ų73.224%0.24139%0.385CS..Hα-helixtrans-67.1-48.8-174.5-179.658.7000112.8Y6 L7L3-Y6 HydrophobicContact CD1-CD1 4.23Å; L3-Y6 WeakPolarHBondContact O-CB 3.44Å; L3-Y6 PolarHBondContact O-N 3.45Å; L3-L7 HydrophobicContact CD1-CD1 3.89Å; L3-L7 HydrophobicContact CD1-CD2 4.2Å; L3-L7 HydrophobicContact CD1-CG 3.81Å; L3-L7 HydrophobicContact CG-CD1 3.92Å; L3-L7 HydrophobicContact CG-CG 4.21Å; L3-L7 WeakPolarHBondContact O-CG 3.39Å; L3-L7 PolarHBondContact O-N 3.05Å
4K95.4Very high94.4Very high157 Ų15768 Ų6868%0.68336%0.358SS*.Hα-helixtrans-61.7-46.5-176.3-176.9172.6-176.4175.20113.2Y6 L7 N8K4-Y6 VanDerWaalsContact C-N 3.32Å; K4-Y6 PolarHBondContact O-N 3.47Å; K4-L7 PolarHBondContact O-N 3.03Å; K4-N8 WeakPolarHBondContact O-CB 3.31Å; K4-N8 VanDerWaalsContact O-CG 3.25Å; K4-N8 PolarHBondContact O-N 3.2Å
5P96.9Very high94.7Very high83 Ų8366.9 Ų66.954%0.53935%0.352SS..Hα-helixtrans-59.7-40.1173.1-25.335.1000113.4N8 A9P5-N8 PolarHBondContact O-N 3.36Å; P5-A9 PolarHBondContact O-N 3.01Å
6Y97.2Very high94.9Very high19 Ų1967.2 Ų67.28%0.07537%0.367CS..Hα-helixtrans-61.8-50.3176.9167.2-115.7000112.1A2 L3 K4 N8 A9 V10 I51 R53 V59 M137A2-Y6 WeakPolarHBondContact O-CB 3.3Å; A2-Y6 PolarHBondContact O-N 2.93Å; L3-Y6 HydrophobicContact CD1-CD1 4.23Å; L3-Y6 WeakPolarHBondContact O-CB 3.44Å; L3-Y6 PolarHBondContact O-N 3.45Å; K4-Y6 VanDerWaalsContact C-N 3.32Å; K4-Y6 PolarHBondContact O-N 3.47Å; Y6-N8 VanDerWaalsContact C-N 3.3Å; Y6-N8 PolarHBondContact O-N 3.32Å; Y6-A9 PolarHBondContact O-N 3.49Å; Y6-V10 HydrophobicContact CD2-CG2 4.26Å; Y6-V10 HydrophobicContact CE2-CG2 3.98Å; Y6-V10 WeakPolarHBondContact O-CG2 3.38Å; Y6-V10 PolarHBondContact O-N 3.35Å; Y6-I51 HydrophobicContact CD2-CG2 3.85Å; Y6-I51 HydrophobicContact CE2-CB 4.49Å; Y6-I51 HydrophobicContact CE2-CG2 3.93Å; Y6-R53 HydrophobicContact CD1-CB 4.01Å; Y6-R53 HydrophobicContact CD1-CG 4.4Å; Y6-R53 HydrophobicContact CD2-CB 3.79Å; Y6-R53 HydrophobicContact CE1-CB 4.23Å; Y6-R53 HydrophobicContact CE2-CB 4.04Å; Y6-R53 HydrophobicContact CG-CB 3.75Å; Y6-R53 HydrophobicContact CG-CG 4.21Å; Y6-V59 VanDerWaalsContact OH-CG2 3.31Å; Y6-V59 WeakPolarHBondContact OH-CG2 3.41Å; Y6-M137 HydrophobicContact CE1-CE 3.58Å
7L97.6Very high95Very high14 Ų1464.1 Ų64.17%0.07335%0.353CS..Hα-helixtrans-63.1-36.5177.3-65.4-178.8000112.1L3 K4 V10 R11 I134 M137 D138L3-L7 HydrophobicContact CD1-CD1 3.89Å; L3-L7 HydrophobicContact CD1-CD2 4.2Å; L3-L7 HydrophobicContact CD1-CG 3.81Å; L3-L7 HydrophobicContact CG-CD1 3.92Å; L3-L7 HydrophobicContact CG-CG 4.21Å; L3-L7 WeakPolarHBondContact O-CG 3.39Å; L3-L7 PolarHBondContact O-N 3.05Å; K4-L7 PolarHBondContact O-N 3.03Å; L7-V10 PolarHBondContact O-N 2.97Å; L7-R11 VanDerWaalsContact O-CB 3.25Å; L7-R11 WeakPolarHBondContact O-CB 3.49Å; L7-R11 PolarHBondContact O-N 3.36Å; L7-I134 HydrophobicContact CB-CG2 4.36Å; L7-M137 HydrophobicContact CD2-CB 3.82Å; L7-M137 HydrophobicContact CD2-CE 3.89Å; L7-D138 HydrophobicContact CD1-CB 3.97Å
8N98Very high95.2Very high68 Ų6860.8 Ų60.836%0.36434%0.335SS..Hα-helixtrans-64-44.1174.6-75-9.6000111.8K4 P5 Y6 R11 H12K4-N8 WeakPolarHBondContact O-CB 3.31Å; K4-N8 VanDerWaalsContact O-CG 3.25Å; K4-N8 PolarHBondContact O-N 3.2Å; P5-N8 PolarHBondContact O-N 3.36Å; Y6-N8 VanDerWaalsContact C-N 3.3Å; Y6-N8 PolarHBondContact O-N 3.32Å; N8-R11 WeakPolarHBondContact O-CB 3.43Å; N8-R11 PolarHBondContact O-N 3.04Å; N8-H12 PolarHBondContact O-CD2 2.82Å; N8-H12 PolarHBondContact O-N 3.38Å
9A98.2Very high95.2Very high41 Ų4162.7 Ų62.734%0.33935%0.351SS..Hα-helixtrans-59.3-48.8175.700000111P5 Y6 R11 H12 T13 I51P5-A9 PolarHBondContact O-N 3.01Å; Y6-A9 PolarHBondContact O-N 3.49Å; A9-R11 VanDerWaalsContact C-N 3.33Å; A9-R11 PolarHBondContact O-N 3.12Å; A9-H12 PolarHBondContact O-N 3.43Å; A9-T13 PolarHBondContact O-N 2.89Å; A9-T13 PolarHBondContact O-OG1 3.48Å; A9-T13 VanDerWaalsContact O-OG1 3.08Å; A9-I51 HydrophobicContact CB-CG2 4.06Å
10V98.4Very high95.3Very high0 Ų060.6 Ų60.60%034%0.34CS..Hα-helixtrans-58.8-44.4176.5177.40000111.2Y6 L7 H12 T13 L14 I51 V59 I134 M137Y6-V10 HydrophobicContact CD2-CG2 4.26Å; Y6-V10 HydrophobicContact CE2-CG2 3.98Å; Y6-V10 WeakPolarHBondContact O-CG2 3.38Å; Y6-V10 PolarHBondContact O-N 3.35Å; L7-V10 PolarHBondContact O-N 2.97Å; V10-H12 PolarHBondContact O-N 3.35Å; V10-T13 PolarHBondContact O-N 3.03Å; V10-L14 HydrophobicContact CG1-CD1 3.8Å; V10-L14 HydrophobicContact CG1-CG 4.16Å; V10-L14 WeakPolarHBondContact O-CB 3.3Å; V10-L14 VanDerWaalsContact O-CG 3.27Å; V10-L14 WeakPolarHBondContact O-CG 3.38Å; V10-L14 PolarHBondContact O-N 2.74Å; V10-I51 HydrophobicContact CB-CD1 4.31Å; V10-I51 HydrophobicContact CG2-CB 4.1Å; V10-I51 HydrophobicContact CG2-CD1 3.87Å; V10-I51 HydrophobicContact CG2-CG2 3.91Å; V10-V59 HydrophobicContact CG1-CG2 4.43Å; V10-V59 HydrophobicContact CG2-CB 4.42Å; V10-V59 HydrophobicContact CG2-CG2 4.1Å; V10-I134 HydrophobicContact CB-CD1 4.1Å; V10-I134 HydrophobicContact CG1-CD1 3.86Å; V10-M137 HydrophobicContact CG1-CE 4.33Å; V10-M137 HydrophobicContact CG1-SD 3.9Å; V10-M137 HydrophobicContact CG2-CE 4.17Å
11R98.6Very high95.4Very high65 Ų6563.2 Ų63.225%0.24535%0.349CS..Hα-helixtrans-59.1-46.1177.7175.7176.6-74.4-83.21.8112.3L7 N8 A9 N15 V130 D131 I134L7-R11 VanDerWaalsContact O-CB 3.25Å; L7-R11 WeakPolarHBondContact O-CB 3.49Å; L7-R11 PolarHBondContact O-N 3.36Å; N8-R11 WeakPolarHBondContact O-CB 3.43Å; N8-R11 PolarHBondContact O-N 3.04Å; A9-R11 VanDerWaalsContact C-N 3.33Å; A9-R11 PolarHBondContact O-N 3.12Å; R11-N15 WeakPolarHBondContact O-CB 3.43Å; R11-N15 PolarHBondContact O-N 3.46Å; R11-N15 PolarHBondContact O-ND2 3.44Å; R11-V130 HydrophobicContact CG-CG1 3.96Å; R11-D131 IonicContact CZ-OD1 3.83Å; R11-D131 VanDerWaalsContact CZ-OD1 3.29Å; R11-D131 IonicContact NH1-OD1 3.2Å; R11-D131 PolarHBondContact NH1-OD1 3.01Å; R11-D131 IonicContact NH2-OD1 2.63Å; R11-D131 PolarHBondContact NH2-OD1 3Å; R11-I134 HydrophobicContact CB-CD1 3.87Å; R11-I134 HydrophobicContact CB-CG1 3.98Å; R11-I134 HydrophobicContact CG-CG1 4.47Å
12H98.4Very high97Very high133 Ų13356.3 Ų56.362%0.61632%0.317SS*.Hα-helixtrans-66.6-41.8179-71.5-59.4000111.5N8 A9 V10 N15 A16N8-H12 PolarHBondContact O-CD2 2.82Å; N8-H12 PolarHBondContact O-N 3.38Å; A9-H12 PolarHBondContact O-N 3.43Å; V10-H12 PolarHBondContact O-N 3.35Å; H12-N15 PolarHBondContact O-N 3.08Å; H12-A16 PolarHBondContact O-N 2.72Å
13T98.5Very high97.3Very high39 Ų3956 Ų5624%0.23931%0.306CS..Hα-helixtrans-65.2-41.2176.6-54.80000112.1A9 V10 N15 A16 A17 V49 I51 I61A9-T13 PolarHBondContact O-N 2.89Å; A9-T13 PolarHBondContact O-OG1 3.48Å; A9-T13 VanDerWaalsContact O-OG1 3.08Å; V10-T13 PolarHBondContact O-N 3.03Å; T13-N15 PolarHBondContact O-N 3.37Å; T13-A16 PolarHBondContact O-N 2.88Å; T13-A17 VanDerWaalsContact O-CB 3.31Å; T13-A17 WeakPolarHBondContact O-CB 3.46Å; T13-A17 PolarHBondContact O-N 3.4Å; T13-V49 HydrophobicContact CG2-CB 4.38Å; T13-V49 HydrophobicContact CG2-CG1 4.23Å; T13-I51 HydrophobicContact CG2-CD1 4.15Å; T13-I51 WeakPolarHBondContact OG1-CD1 3.33Å; T13-I61 HydrophobicContact CG2-CD1 3.55Å
14L98.3Very high97.4Very high1 Ų158 Ų581%0.00532%0.323CS..Hα-helixtrans-64.4-39.4175.4-71.6174.6000112.2V10 A16 A17 L18 I61 V70 V130 V133 I134V10-L14 HydrophobicContact CG1-CD1 3.8Å; V10-L14 HydrophobicContact CG1-CG 4.16Å; V10-L14 WeakPolarHBondContact O-CB 3.3Å; V10-L14 VanDerWaalsContact O-CG 3.27Å; V10-L14 WeakPolarHBondContact O-CG 3.38Å; V10-L14 PolarHBondContact O-N 2.74Å; L14-A16 PolarHBondContact O-N 3.15Å; L14-A17 PolarHBondContact O-N 2.89Å; L14-L18 WeakPolarHBondContact O-CB 3.4Å; L14-L18 WeakPolarHBondContact O-CG 3.48Å; L14-L18 PolarHBondContact O-N 3.45Å; L14-I61 HydrophobicContact CD2-CD1 3.74Å; L14-I61 HydrophobicContact CD2-CG1 4.11Å; L14-I61 HydrophobicContact CD2-CG2 4.39Å; L14-I61 HydrophobicContact CG-CD1 3.95Å; L14-V70 HydrophobicContact CD2-CG1 4.23Å; L14-V70 HydrophobicContact CD2-CG2 3.49Å; L14-V70 VanDerWaalsContact CD2-CG2 3.49Å; L14-V130 HydrophobicContact CB-CG1 4.29Å; L14-V130 HydrophobicContact CB-CG2 4.13Å; L14-V133 HydrophobicContact CD1-CB 4.03Å; L14-V133 HydrophobicContact CD1-CG1 3.69Å; L14-I134 HydrophobicContact CD1-CD1 4.35Å
15N98Very high97.4Very high52 Ų5251.3 Ų51.328%0.27830%0.297SS..Hα-helixtrans-60.7-35176.3-88.6-62.4000113R11 H12 T13 K126R11-N15 WeakPolarHBondContact O-CB 3.43Å; R11-N15 PolarHBondContact O-N 3.46Å; R11-N15 PolarHBondContact O-ND2 3.44Å; H12-N15 PolarHBondContact O-N 3.08Å; T13-N15 PolarHBondContact O-N 3.37Å; N15-K126 PolarHBondContact O-NZ 3.27Å; N15-K126 VanDerWaalsContact O-NZ 3.1Å
16A97.7Very high97.2Very high71 Ų7152.4 Ų52.459%0.58730%0.295SS*.Hα-helixtrans-79.1-40175.700000112.3H12 T13 L14 C19H12-A16 PolarHBondContact O-N 2.72Å; T13-A16 PolarHBondContact O-N 2.88Å; L14-A16 PolarHBondContact O-N 3.15Å; A16-C19 PolarHBondContact O-SG 3.29Å
17A97.8Very high97Very high15 Ų1555.8 Ų55.812%0.12432%0.317CS..Hα-helixtrans-69.4-36.6-178.600000112.6T13 L14 C19 I61 V68T13-A17 VanDerWaalsContact O-CB 3.31Å; T13-A17 WeakPolarHBondContact O-CB 3.46Å; T13-A17 PolarHBondContact O-N 3.4Å; L14-A17 PolarHBondContact O-N 2.89Å; A17-C19 PolarHBondContact O-N 3.31Å; A17-I61 HydrophobicContact CB-CG2 3.81Å; A17-V68 HydrophobicContact CB-CG1 4.15Å; A17-V68 HydrophobicContact CB-CG2 4.22Å; A17-V68 WeakPolarHBondContact O-CG2 3.38Å
18L97.3Very high96.8Very high5 Ų557.8 Ų57.83%0.02633%0.33CS..THydrogen-bonded Turntrans-78.828.3-178.4-70.5171000114L14 V20 V68 I116 K126 V130L14-L18 WeakPolarHBondContact O-CB 3.4Å; L14-L18 WeakPolarHBondContact O-CG 3.48Å; L14-L18 PolarHBondContact O-N 3.45Å; L18-V20 PolarHBondContact O-N 3.47Å; L18-V68 HydrophobicContact CD2-CB 3.92Å; L18-V68 HydrophobicContact CD2-CG2 3.82Å; L18-V68 HydrophobicContact CG-CG2 4.43Å; L18-I116 HydrophobicContact CD1-CD1 4.2Å; L18-I116 HydrophobicContact CD2-CB 3.8Å; L18-I116 HydrophobicContact CD2-CD1 3.9Å; L18-I116 HydrophobicContact CD2-CG1 4.46Å; L18-I116 HydrophobicContact CD2-CG2 3.53Å; L18-K126 HydrophobicContact CB-CD 3.89Å; L18-K126 HydrophobicContact CB-CG 3.87Å; L18-K126 HydrophobicContact CD1-CG 4.41Å; L18-K126 WeakPolarHBondContact O-CD 3.3Å; L18-V130 HydrophobicContact CD1-CG2 3.62Å
19C96.6Very high96.5Very high96 Ų9661.5 Ų61.565%0.64935%0.345SS*.  trans-88.356.2168.7-66.20000109.8A16 A17A16-C19 PolarHBondContact O-SG 3.29Å; A17-C19 PolarHBondContact O-N 3.31Å
20V97.2Very high96.2Very high20 Ų2070.5 Ų70.512%0.12137%0.37CS..  trans-90.6154-176.6-65.90000111.5L18 I65 V68 N118 T121L18-V20 PolarHBondContact O-N 3.47Å; V20-I65 WeakPolarHBondContact CA-O 3.2Å; V20-V68 HydrophobicContact CG1-CG2 3.83Å; V20-N118 HydrophobicContact CG2-CB 4.41Å; V20-T121 HydrophobicContact CG2-CG2 3.74Å; V20-T121 WeakPolarHBondContact CG2-OG1 3.48Å
21Q96.8Very high96Very high117 Ų11774.7 Ų74.755%0.54739%0.389SS..  trans-137.6156.8176.762.3-175.33.200111.3F23 I65 N66Q21-F23 PolarHBondContact O-N 3.29Å; Q21-I65 HydrophobicContact CG-CG1 3.96Å; Q21-I65 PolarHBondContact N-O 2.93Å; Q21-N66 VanDerWaalsContact O-CA 3.29Å; Q21-N66 WeakPolarHBondContact O-CA 3.31Å; Q21-N66 WeakPolarHBondContact O-CB 3.42Å
22N97Very high95.8Very high86 Ų8674 Ų7446%0.4639%0.39SS..  trans-60.9127.7173.6-168.52.3000110.5N32 N118N22-N32 PolarHBondContact OD1-ND2 3.16Å; N22-N118 WeakPolarHBondContact CA-ND2 3.21Å; N22-N118 WeakPolarHBondContact CB-ND2 3.49Å
23F96.9Very high95.7Very high47 Ų4771 Ų7121%0.20638%0.376CS..  trans-142.7121.4-176.6-164.2-91.6000110.9Q21 Q26 N32 L44 I65 N66Q21-F23 PolarHBondContact O-N 3.29Å; F23-Q26 HydrophobicContact CE1-CG 4.07Å; F23-Q26 HydrophobicContact CZ-CG 4.39Å; F23-N32 PolarHBondContact O-OD1 3.05Å; F23-L44 HydrophobicContact CD1-CD1 3.84Å; F23-L44 HydrophobicContact CE1-CD1 3.34Å; F23-L44 HydrophobicContact CE1-CD2 3.88Å; F23-L44 HydrophobicContact CE1-CG 4.28Å; F23-L44 HydrophobicContact CE2-CD2 4.35Å; F23-L44 HydrophobicContact CZ-CD1 4.05Å; F23-L44 HydrophobicContact CZ-CD2 3.72Å; F23-I65 HydrophobicContact CB-CG1 4.49Å; F23-I65 HydrophobicContact CB-CG2 3.87Å; F23-I65 HydrophobicContact CD1-CG2 3.97Å; F23-I65 HydrophobicContact CD2-CD1 3.42Å; F23-I65 VanDerWaalsContact CD2-CD1 3.42Å; F23-I65 HydrophobicContact CD2-CG1 4.02Å; F23-I65 HydrophobicContact CD2-CG2 4.21Å; F23-I65 HydrophobicContact CE2-CD1 3.56Å; F23-I65 HydrophobicContact CG-CD1 4.11Å; F23-I65 HydrophobicContact CG-CG1 4.34Å; F23-I65 HydrophobicContact CG-CG2 3.74Å; F23-I65 HydrophobicContact CZ-CD1 4.35Å; F23-N66 HydrophobicContact CB-CB 3.95Å
24S95.4Very high95.6Very high88 Ų8871 Ų7162%0.61538%0.376SS*.  trans-75.2144.4177.2-56.30000111.4Q26S24-Q26 PolarHBondContact O-N 2.94Å
25S95.3Very high95.6Very high18 Ų1870.9 Ų70.913%0.12638%0.376CS..  trans-62.5135178.7-172.70000111.1V27 V28 H31S25-V27 PolarHBondContact OG-N 3.34Å; S25-V28 PolarHBondContact OG-N 2.93Å; S25-H31 VanDerWaalsContact CB-O 3.26Å; S25-H31 WeakPolarHBondContact CB-O 3.48Å; S25-H31 PolarHBondContact N-O 2.78Å
26Q93.1Very high95.6Very high105 Ų10568.6 Ų68.649%0.49136%0.364SS..SBendtrans-83.3-14.7173.6-65.5165.2-32.300112.9F23 S24 S41 E43F23-Q26 HydrophobicContact CE1-CG 4.07Å; F23-Q26 HydrophobicContact CZ-CG 4.39Å; S24-Q26 PolarHBondContact O-N 2.94Å; Q26-S41 PolarHBondContact OE1-OG 3.34Å; Q26-E43 PolarHBondContact OE1-OE1 3.09Å
27V92.9Very high95.6Very high91 Ų9168 Ų6855%0.55235%0.348SS*.SBendtrans-102.4-34-171.3-179.10000111.9S25S25-V27 PolarHBondContact OG-N 3.34Å
28V92.7Very high95.5Very high56 Ų5669.7 Ų69.734%0.33936%0.357SS..SBendtrans-127.3121.9-177.1-165.50000109.7S25 R30 H31S25-V28 PolarHBondContact OG-N 2.93Å; V28-R30 PolarHBondContact O-N 3.08Å; V28-H31 HydrophobicContact CB-CB 4.12Å; V28-H31 HydrophobicContact CG1-CB 4.42Å; V28-H31 WeakPolarHBondContact CG1-CD2 3.08Å; V28-H31 PolarHBondContact O-N 2.72Å
29E91.7Very high95.4Very high145 Ų14574.9 Ų74.968%0.67838%0.377SS*.THydrogen-bonded Turntrans-56.9135-177.7-161.3-155.7150.400111.6H31E29-H31 PolarHBondContact O-CD2 3.5Å; E29-H31 VanDerWaalsContact O-CD2 3.28Å; E29-H31 PolarHBondContact O-N 2.8Å; E29-H31 VanDerWaalsContact O-N 3.11Å
30R91.9Very high95.3Very high231 Ų23174 Ų7487%0.87237%0.368SS*.THydrogen-bonded Turntrans60.315.6177.6-61.5163.1-167-1440.9115.2V28V28-R30 PolarHBondContact O-N 3.08Å
31H93.9Very high95.2Very high87 Ų8773.3 Ų73.340%0.40337%0.365SS..  trans-96.2148.2172.1-80.6-100.4000112.1S25 V28 E29 K33S25-H31 VanDerWaalsContact CB-O 3.26Å; S25-H31 WeakPolarHBondContact CB-O 3.48Å; S25-H31 PolarHBondContact N-O 2.78Å; V28-H31 HydrophobicContact CB-CB 4.12Å; V28-H31 HydrophobicContact CG1-CB 4.42Å; V28-H31 WeakPolarHBondContact CG1-CD2 3.08Å; V28-H31 PolarHBondContact O-N 2.72Å; E29-H31 PolarHBondContact O-CD2 3.5Å; E29-H31 VanDerWaalsContact O-CD2 3.28Å; E29-H31 PolarHBondContact O-N 2.8Å; E29-H31 VanDerWaalsContact O-N 3.11Å; H31-K33 HydrophobicContact CB-CG 4.48Å; H31-K33 VanDerWaalsContact ND1-CE 3.28Å; H31-K33 WeakPolarHBondContact ND1-CE 3.24Å
32N94.2Very high95.1Very high50 Ų5076.2 Ų76.227%0.26738%0.375SS..  trans-132.3108.5168-171.6-22.1000107.5N22 F23N22-N32 PolarHBondContact OD1-ND2 3.16Å; F23-N32 PolarHBondContact O-OD1 3.05Å
33K95.9Very high95.1Very high72 Ų7278.4 Ų78.431%0.31338%0.383SS..  trans-124.8147.2-175.1-63.5-179.2-173.51760108.4H31 E35 V38 N66H31-K33 HydrophobicContact CB-CG 4.48Å; H31-K33 VanDerWaalsContact ND1-CE 3.28Å; H31-K33 WeakPolarHBondContact ND1-CE 3.24Å; K33-E35 PolarHBondContact O-N 3.38Å; K33-V38 HydrophobicContact CB-CG1 3.89Å; K33-V38 HydrophobicContact CB-CG2 4.46Å; K33-V38 HydrophobicContact CD-CG1 3.8Å; K33-V38 HydrophobicContact CG-CG1 4.48Å; K33-N66 PolarHBondContact O-ND2 2.83Å
34P97.6Very high95.1Very high37 Ų3776.8 Ų76.824%0.2438%0.376CS..  trans-61.2109.1172.923.3-30.7000109.6I36 E37 V38 S67 L115 T117P34-I36 PolarHBondContact O-N 3.36Å; P34-I36 VanDerWaalsContact O-N 3.12Å; P34-E37 HydrophobicContact CB-CG 4.4Å; P34-E37 HydrophobicContact CG-CB 4.11Å; P34-E37 HydrophobicContact CG-CG 4.08Å; P34-E37 PolarHBondContact O-N 2.97Å; P34-V38 PolarHBondContact O-N 2.87Å; P34-S67 VanDerWaalsContact CA-OG 3.29Å; P34-S67 WeakPolarHBondContact CA-OG 3.37Å; P34-S67 WeakPolarHBondContact CB-OG 3.42Å; P34-L115 HydrophobicContact CB-CD1 4.25Å; P34-L115 HydrophobicContact CB-CD2 4.43Å; P34-L115 HydrophobicContact CG-CD2 4.16Å; P34-T117 HydrophobicContact CB-CG2 4.18Å
35E97.5Very high95.2Very high0 Ų074.9 Ų74.90%036%0.359CS..Hα-helixtrans-59-28.8-174.2-71.1-62153.600111.7K33 E37 V38 R39 L44 L45 I65 N66 S67K33-E35 PolarHBondContact O-N 3.38Å; E35-E37 VanDerWaalsContact C-N 3.27Å; E35-E37 PolarHBondContact O-N 3.38Å; E35-V38 PolarHBondContact O-N 3.47Å; E35-V38 WeakPolarHBondContact OE2-CG2 3.45Å; E35-R39 PolarHBondContact O-N 3.36Å; E35-L44 HydrophobicContact CB-CB 4.34Å; E35-L44 HydrophobicContact CG-CB 4.32Å; E35-L44 HydrophobicContact CG-CD1 3.73Å; E35-L45 WeakPolarHBondContact O-CD2 3.46Å; E35-I65 HydrophobicContact CG-CG2 4.13Å; E35-N66 WeakPolarHBondContact CB-OD1 3.15Å; E35-N66 WeakPolarHBondContact CG-OD1 3.47Å; E35-N66 PolarHBondContact N-OD1 2.79Å; E35-S67 PolarHBondContact N-OG 3.17Å
36I97.8Very high95.3Very high4 Ų478.7 Ų78.72%0.02138%0.378CS..Hα-helixtrans-66.6-26.7177-166.356.2000114P34 R39 L45 E62 S64 S67 R69 L115P34-I36 PolarHBondContact O-N 3.36Å; P34-I36 VanDerWaalsContact O-N 3.12Å; I36-R39 VanDerWaalsContact O-CG 3.3Å; I36-R39 WeakPolarHBondContact O-CG 3.45Å; I36-R39 PolarHBondContact O-NE 2.89Å; I36-R39 VanDerWaalsContact O-NE 3.11Å; I36-L45 HydrophobicContact CD1-CD2 4.18Å; I36-E62 HydrophobicContact CD1-CB 3.55Å; I36-E62 HydrophobicContact CG1-CB 3.91Å; I36-S64 PolarHBondContact N-OG 3.14Å; I36-S67 VanDerWaalsContact CG2-OG 3.3Å; I36-S67 WeakPolarHBondContact CG2-OG 3.42Å; I36-S67 PolarHBondContact N-OG 2.92Å; I36-R69 HydrophobicContact CG1-CB 4.05Å; I36-R69 HydrophobicContact CG2-CB 4.18Å; I36-L115 HydrophobicContact CG2-CD1 3.67Å
37E97.2Very high95.5Very high57 Ų5780.8 Ų80.827%0.26639%0.392SS..Hα-helixtrans-86.2-41.5177.1-71.7-68.8151.100111.8P34 E35 R69 R103 L115P34-E37 HydrophobicContact CB-CG 4.4Å; P34-E37 HydrophobicContact CG-CB 4.11Å; P34-E37 HydrophobicContact CG-CG 4.08Å; P34-E37 PolarHBondContact O-N 2.97Å; E35-E37 VanDerWaalsContact C-N 3.27Å; E35-E37 PolarHBondContact O-N 3.38Å; E37-R69 VanDerWaalsContact OE1-CD 3.3Å; E37-R69 WeakPolarHBondContact OE1-CD 3.37Å; E37-R69 IonicContact OE1-CZ 3.87Å; E37-R69 IonicContact OE1-NE 2.77Å; E37-R69 IonicContact OE1-NH1 3.7Å; E37-R69 PolarHBondContact OE1-NH1 3.25Å; E37-R69 IonicContact OE2-NH1 3.54Å; E37-R69 PolarHBondContact OE2-NH1 3.48Å; E37-R103 IonicContact OE1-CZ 2.99Å; E37-R103 IonicContact OE1-NE 2.66Å; E37-R103 PolarHBondContact OE1-NE 3.13Å; E37-R103 IonicContact OE1-NH2 3.59Å; E37-R103 IonicContact OE2-CZ 2.77Å; E37-R103 IonicContact OE2-NE 3.29Å; E37-R103 PolarHBondContact OE2-NE 3.38Å; E37-R103 IonicContact OE2-NH2 2.78Å; E37-R103 PolarHBondContact OE2-NH2 3.05Å; E37-L115 HydrophobicContact CG-CD1 4.02Å; E37-L115 HydrophobicContact CG-CD2 3.83Å
38V96Very high95.8Very high52 Ų5280.3 Ų80.332%0.31539%0.391SS..Hα-helixtrans-80.9-35.3-176.2-65.50000113.3K33 P34 E35 T40K33-V38 HydrophobicContact CB-CG1 3.89Å; K33-V38 HydrophobicContact CB-CG2 4.46Å; K33-V38 HydrophobicContact CD-CG1 3.8Å; K33-V38 HydrophobicContact CG-CG1 4.48Å; P34-V38 PolarHBondContact O-N 2.87Å; E35-V38 PolarHBondContact O-N 3.47Å; E35-V38 WeakPolarHBondContact OE2-CG2 3.45Å; V38-T40 HydrophobicContact CB-CG2 4.47Å; V38-T40 PolarHBondContact O-N 3Å; V38-T40 VanDerWaalsContact O-N 3.09Å
39R95.3Very high96Very high113 Ų11380.7 Ų80.743%0.42639%0.393SS..  trans52.330.4175.3-57.7-176.4165.7-163.1-15.4114.9E35 I36 L45 E62E35-R39 PolarHBondContact O-N 3.36Å; I36-R39 VanDerWaalsContact O-CG 3.3Å; I36-R39 WeakPolarHBondContact O-CG 3.45Å; I36-R39 PolarHBondContact O-NE 2.89Å; I36-R39 VanDerWaalsContact O-NE 3.11Å; R39-L45 HydrophobicContact CB-CD1 4.09Å; R39-L45 HydrophobicContact CG-CD1 4.07Å; R39-L45 HydrophobicContact CG-CD2 4.41Å; R39-E62 IonicContact CZ-OE1 3.82Å; R39-E62 IonicContact NH2-OE1 2.81Å; R39-E62 PolarHBondContact NH2-OE1 3.22Å; R39-E62 IonicContact NH2-OE2 3.97Å
40T94.1Very high96.3Very high77 Ų7778.4 Ų78.447%0.47238%0.384SS..  trans-81.7-31.8-179.8480000112.5V38V38-T40 HydrophobicContact CB-CG2 4.47Å; V38-T40 PolarHBondContact O-N 3Å; V38-T40 VanDerWaalsContact O-N 3.09Å
41S95.2Very high96.6Very high7 Ų768.5 Ų68.55%0.04935%0.348CS..  trans-109.8105.7178.6-61.20000110Q26 E43 L44Q26-S41 PolarHBondContact OE1-OG 3.34Å; S41-E43 VanDerWaalsContact C-N 3.3Å; S41-E43 VanDerWaalsContact C-OE2 3.3Å; S41-E43 PolarHBondContact O-N 2.98Å; S41-L44 PolarHBondContact O-N 3.33Å
42K95.4Very high96.8Very high178 Ų17867.7 Ų67.777%0.77435%0.353SS*.G310 helixtrans-66.7-33.2-173.3-70.6-175.7-179.5178.30112.6L44 L45K42-L44 PolarHBondContact O-N 3.3Å; K42-L45 PolarHBondContact O-N 3Å
43E96.4Very high96.8Very high131 Ų13169 Ų6961%0.61235%0.354SS*.G310 helixtrans-65.9-18.4178.370.4-81.2-164.400113.4Q26 S41Q26-E43 PolarHBondContact OE1-OE1 3.09Å; S41-E43 VanDerWaalsContact C-N 3.3Å; S41-E43 VanDerWaalsContact C-OE2 3.3Å; S41-E43 PolarHBondContact O-N 2.98Å
44L97.2Very high96.7Very high13 Ų1368.8 Ų68.87%0.06836%0.357CS..G310 helixtrans-90.3-7.8177.9-54.4-176.2000112.6F23 E35 S41 K42 S64 I65F23-L44 HydrophobicContact CD1-CD1 3.84Å; F23-L44 HydrophobicContact CE1-CD1 3.34Å; F23-L44 HydrophobicContact CE1-CD2 3.88Å; F23-L44 HydrophobicContact CE1-CG 4.28Å; F23-L44 HydrophobicContact CE2-CD2 4.35Å; F23-L44 HydrophobicContact CZ-CD1 4.05Å; F23-L44 HydrophobicContact CZ-CD2 3.72Å; E35-L44 HydrophobicContact CB-CB 4.34Å; E35-L44 HydrophobicContact CG-CB 4.32Å; E35-L44 HydrophobicContact CG-CD1 3.73Å; S41-L44 PolarHBondContact O-N 3.33Å; K42-L44 PolarHBondContact O-N 3.3Å; L44-S64 CarbonylContact O-C 3.53Å; L44-S64 WeakPolarHBondContact O-CA 3.45Å; L44-S64 WeakPolarHBondContact O-CB 3.44Å; L44-I65 HydrophobicContact CB-CB 4.49Å; L44-I65 HydrophobicContact CB-CG2 3.96Å; L44-I65 HydrophobicContact CD1-CG2 4.24Å; L44-I65 HydrophobicContact CD2-CD1 4.12Å; L44-I65 HydrophobicContact CD2-CG2 4.14Å; L44-I65 HydrophobicContact CG-CG2 4.34Å; L44-I65 PolarHBondContact O-N 3.38Å
45L98Very high96.4Very high49 Ų4975.7 Ų75.726%0.25739%0.386SS..BIsolated β-bridgetrans-93.1133.3-179.9-56.3-178000110.4E35 I36 R39 K42E35-L45 WeakPolarHBondContact O-CD2 3.46Å; I36-L45 HydrophobicContact CD1-CD2 4.18Å; R39-L45 HydrophobicContact CB-CD1 4.09Å; R39-L45 HydrophobicContact CG-CD1 4.07Å; R39-L45 HydrophobicContact CG-CD2 4.41Å; K42-L45 PolarHBondContact O-N 3Å
46L97.4Very high96.1Very high98 Ų9881.5 Ų81.551%0.51341%0.411SS..PPolyproline II helixtrans-88163.1171.5-56.7179.6000110.3P48 G63L46-P48 WeakPolarHBondContact O-CD 3.35Å; L46-G63 WeakPolarHBondContact CB-O 3.29Å; L46-G63 PolarHBondContact N-O 3.46Å
47N97.4Very high95.9Very high148 Ų14881.8 Ų81.879%0.79141%0.412SS*.PPolyproline II helixtrans-63.2125.4175.7-70.4-25.2000110.6
48P98.1Very high95.9Very high82 Ų8282.5 Ų82.553%0.53241%0.412SS..PPolyproline II helixtrans-61.9137.7172.9-23.234.6000111.6L46 L60 I61 E62L46-P48 WeakPolarHBondContact O-CD 3.35Å; P48-L60 HydrophobicContact CB-CD1 4.02Å; P48-I61 WeakPolarHBondContact CA-O 3.47Å; P48-E62 HydrophobicContact CB-CG 4.31Å
49V98.3Very high96Very high63 Ų6380 Ų8038%0.38240%0.397SS..EExtended strand (participates in β ladder)trans-119.7131.4178-177.90000109.4T13 I51 I61T13-V49 HydrophobicContact CG2-CB 4.38Å; T13-V49 HydrophobicContact CG2-CG1 4.23Å; V49-I51 HydrophobicContact CG1-CG1 4.23Å; V49-I61 PolarHBondContact N-O 3.22Å; V49-I61 PolarHBondContact O-N 2.88Å
50I98.4Very high96.1Very high97 Ų9775.4 Ų75.450%0.49738%0.381SS..EExtended strand (participates in β ladder)trans-110.8128.2173.5-60.8173.8000108.9R58 V59 L60I50-R58 HydrophobicContact CG2-CB 4.33Å; I50-V59 CarbonylContact C-O 3.52Å; I50-V59 WeakPolarHBondContact CA-O 3.39Å; I50-L60 HydrophobicContact CD1-CD1 4.28Å; I50-L60 HydrophobicContact CG1-CB 4.38Å; I50-L60 HydrophobicContact CG1-CD1 3.64Å
51I98.3Very high96.4Very high23 Ų2372 Ų7212%0.11836%0.36CS..EExtended strand (participates in β ladder)trans-116.6119.2174.6-54167.7000106.4Y6 A9 V10 T13 V49 R58 V59 I61Y6-I51 HydrophobicContact CD2-CG2 3.85Å; Y6-I51 HydrophobicContact CE2-CB 4.49Å; Y6-I51 HydrophobicContact CE2-CG2 3.93Å; A9-I51 HydrophobicContact CB-CG2 4.06Å; V10-I51 HydrophobicContact CB-CD1 4.31Å; V10-I51 HydrophobicContact CG2-CB 4.1Å; V10-I51 HydrophobicContact CG2-CD1 3.87Å; V10-I51 HydrophobicContact CG2-CG2 3.91Å; T13-I51 HydrophobicContact CG2-CD1 4.15Å; T13-I51 WeakPolarHBondContact OG1-CD1 3.33Å; V49-I51 HydrophobicContact CG1-CG1 4.23Å; I51-R58 CarbonylContact O-C 3.45Å; I51-R58 VanDerWaalsContact O-CA 3.26Å; I51-R58 WeakPolarHBondContact O-CA 3.33Å; I51-V59 PolarHBondContact N-O 3.45Å; I51-V59 PolarHBondContact O-N 3.13Å; I51-I61 HydrophobicContact CD1-CD1 4.1Å
52S96.9Very high96.5Very high71 Ų7172.2 Ų72.250%0.49736%0.36SS..EExtended strand (participates in β ladder)trans-118.4134.4-177-53.20000110.2R58S52-R58 WeakPolarHBondContact OG-CB 3.48Å
53R95.2Very high96.7Very high76 Ų7664 Ų6429%0.28733%0.325SS..SBendtrans-84.9-37.6169.6-175-174174.3-174.70.6110.9A2 Y6 E57 D141A2-R53 HydrophobicContact CB-CG 4.38Å; Y6-R53 HydrophobicContact CD1-CB 4.01Å; Y6-R53 HydrophobicContact CD1-CG 4.4Å; Y6-R53 HydrophobicContact CD2-CB 3.79Å; Y6-R53 HydrophobicContact CE1-CB 4.23Å; Y6-R53 HydrophobicContact CE2-CB 4.04Å; Y6-R53 HydrophobicContact CG-CB 3.75Å; Y6-R53 HydrophobicContact CG-CG 4.21Å; R53-E57 HydrophobicContact CB-CB 4.04Å; R53-E57 VanDerWaalsContact CD-OE1 3.27Å; R53-E57 WeakPolarHBondContact CD-OE1 3.47Å; R53-E57 IonicContact CZ-OE1 3.81Å; R53-E57 PolarHBondContact N-O 3.31Å; R53-E57 IonicContact NE-OE1 3.58Å; R53-E57 IonicContact NH1-OE1 3.95Å; R53-E57 PolarHBondContact NH1-OE1 2.81Å; R53-E57 IonicContact NH1-OE2 3.47Å; R53-D141 IonicContact NH1-OD2 2.72Å
54N93.2Very high96.7Very high69 Ų6957.9 Ų57.937%0.36930%0.297SS..SBendtrans-157.9-172173.657.353.6000108.5K56 E57N54-K56 PolarHBondContact O-N 3.05Å; N54-K56 WeakPolarHBondContact OD1-CA 3.42Å; N54-K56 PolarHBondContact OD1-N 3.36Å; N54-E57 PolarHBondContact N-O 2.91Å; N54-E57 PolarHBondContact ND2-OE2 3.43Å; N54-E57 PolarHBondContact OD1-N 2.79Å
55E90.7Very high96.8Very high182 Ų18259.1 Ų59.185%0.8530%0.304SS*.SBendtrans-61.7-28.1-178.4-62.8178.217200114R58E55-R58 PolarHBondContact O-NH1 2.75Å
56K90.7Very high96.8Very high121 Ų12156.8 Ų56.853%0.52629%0.291SS..SBendtrans-97.3-32-175.1-62.4-173.7177.2-1740113.1N54N54-K56 PolarHBondContact O-N 3.05Å; N54-K56 WeakPolarHBondContact OD1-CA 3.42Å; N54-K56 PolarHBondContact OD1-N 3.36Å
57E93.9Very high96.8Very high11 Ų1152.1 Ų52.15%0.05127%0.267CS..  trans-105.6109.4-177.1-70.3171.771.200110.9R53 N54 K75R53-E57 HydrophobicContact CB-CB 4.04Å; R53-E57 VanDerWaalsContact CD-OE1 3.27Å; R53-E57 WeakPolarHBondContact CD-OE1 3.47Å; R53-E57 IonicContact CZ-OE1 3.81Å; R53-E57 PolarHBondContact N-O 3.31Å; R53-E57 IonicContact NE-OE1 3.58Å; R53-E57 IonicContact NH1-OE1 3.95Å; R53-E57 PolarHBondContact NH1-OE1 2.81Å; R53-E57 IonicContact NH1-OE2 3.47Å; N54-E57 PolarHBondContact N-O 2.91Å; N54-E57 PolarHBondContact ND2-OE2 3.43Å; N54-E57 PolarHBondContact OD1-N 2.79Å; E57-K75 HydrophobicContact CG-CB 3.63Å; E57-K75 HydrophobicContact CG-CG 4.32Å
58R97Very high96.9Very high71 Ų7145.1 Ų45.127%0.26823%0.229SC..EExtended strand (participates in β ladder)trans-150.9151.7179.861.1178.7-173.7-80.2-10.1112.7I50 I51 S52 E55 A73 G109 Y110I50-R58 HydrophobicContact CG2-CB 4.33Å; I51-R58 CarbonylContact O-C 3.45Å; I51-R58 VanDerWaalsContact O-CA 3.26Å; I51-R58 WeakPolarHBondContact O-CA 3.33Å; S52-R58 WeakPolarHBondContact OG-CB 3.48Å; E55-R58 PolarHBondContact O-NH1 2.75Å; R58-A73 HydrophobicContact CG-CB 3.78Å; R58-A73 PolarHBondContact N-O 2.94Å; R58-A73 PolarHBondContact O-N 2.89Å; R58-G109 PolarHBondContact NH2-O 3.07Å; R58-G109 VanDerWaalsContact NH2-O 3.09Å; R58-Y110 HydrophobicContact CG-CE1 4.12Å; R58-Y110 PolarHBondContact NE-OH 3.26Å
59V98.4Very high96.9Very high0 Ų042 Ų420%021%0.207CC..EExtended strand (participates in β ladder)trans-115.2133169-172.50000109.6Y6 V10 I50 I51 I61 V70 S71 I72 M137Y6-V59 VanDerWaalsContact OH-CG2 3.31Å; Y6-V59 WeakPolarHBondContact OH-CG2 3.41Å; V10-V59 HydrophobicContact CG1-CG2 4.43Å; V10-V59 HydrophobicContact CG2-CB 4.42Å; V10-V59 HydrophobicContact CG2-CG2 4.1Å; I50-V59 CarbonylContact C-O 3.52Å; I50-V59 WeakPolarHBondContact CA-O 3.39Å; I51-V59 PolarHBondContact N-O 3.45Å; I51-V59 PolarHBondContact O-N 3.13Å; V59-I61 HydrophobicContact CG1-CD1 4.48Å; V59-I61 HydrophobicContact CG1-CG1 3.89Å; V59-V70 HydrophobicContact CG1-CG1 3.56Å; V59-S71 CarbonylContact C-O 3.59Å; V59-S71 VanDerWaalsContact CA-O 3.28Å; V59-S71 WeakPolarHBondContact CA-O 3.45Å; V59-S71 WeakPolarHBondContact CG1-O 3.29Å; V59-I72 HydrophobicContact CG1-CG1 4.31Å; V59-I72 HydrophobicContact CG2-CG1 4.18Å; V59-M137 HydrophobicContact CG2-CE 3.27Å; V59-M137 HydrophobicContact CG2-SD 3.82Å
60L98.7Very high96.9Very high17 Ų1739 Ų399%0.08919%0.189CC..EExtended strand (participates in β ladder)trans-101124.5165.1169.366.6000108.9P48 I50 E62 V70 S71 Y110P48-L60 HydrophobicContact CB-CD1 4.02Å; I50-L60 HydrophobicContact CD1-CD1 4.28Å; I50-L60 HydrophobicContact CG1-CB 4.38Å; I50-L60 HydrophobicContact CG1-CD1 3.64Å; L60-E62 HydrophobicContact CD1-CG 3.82Å; L60-E62 HydrophobicContact CD2-CG 3.97Å; L60-E62 HydrophobicContact CG-CG 3.65Å; L60-V70 CarbonylContact O-C 3.53Å; L60-V70 WeakPolarHBondContact O-CA 3.4Å; L60-S71 PolarHBondContact N-O 2.75Å; L60-S71 PolarHBondContact O-N 2.78Å; L60-Y110 HydrophobicContact CB-CE1 3.73Å; L60-Y110 HydrophobicContact CB-CE2 4.17Å; L60-Y110 VanDerWaalsContact CB-CZ 3.48Å; L60-Y110 WeakPolarHBondContact CB-OH 3.13Å; L60-Y110 HydrophobicContact CD2-CE2 3.91Å
61I98.8Very high96.9Very high4 Ų434.4 Ų34.42%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-113.9117.9175.5-59.3171.5000107.4T13 L14 A17 P48 V49 I51 V59 V68 V70T13-I61 HydrophobicContact CG2-CD1 3.55Å; L14-I61 HydrophobicContact CD2-CD1 3.74Å; L14-I61 HydrophobicContact CD2-CG1 4.11Å; L14-I61 HydrophobicContact CD2-CG2 4.39Å; L14-I61 HydrophobicContact CG-CD1 3.95Å; A17-I61 HydrophobicContact CB-CG2 3.81Å; P48-I61 WeakPolarHBondContact CA-O 3.47Å; V49-I61 PolarHBondContact N-O 3.22Å; V49-I61 PolarHBondContact O-N 2.88Å; I51-I61 HydrophobicContact CD1-CD1 4.1Å; V59-I61 HydrophobicContact CG1-CD1 4.48Å; V59-I61 HydrophobicContact CG1-CG1 3.89Å; I61-V68 HydrophobicContact CG2-CG1 3.94Å; I61-V70 HydrophobicContact CG1-CG1 4.43Å
62E98.6Very high96.9Very high13 Ų1333.5 Ų33.56%0.06116%0.161CC..EExtended strand (participates in β ladder)trans-119.2111.9179.1-43175.190.800107.8I36 R39 P48 L60 V68 R69I36-E62 HydrophobicContact CD1-CB 3.55Å; I36-E62 HydrophobicContact CG1-CB 3.91Å; R39-E62 IonicContact CZ-OE1 3.82Å; R39-E62 IonicContact NH2-OE1 2.81Å; R39-E62 PolarHBondContact NH2-OE1 3.22Å; R39-E62 IonicContact NH2-OE2 3.97Å; P48-E62 HydrophobicContact CB-CG 4.31Å; L60-E62 HydrophobicContact CD1-CG 3.82Å; L60-E62 HydrophobicContact CD2-CG 3.97Å; L60-E62 HydrophobicContact CG-CG 3.65Å; E62-V68 CarbonylContact O-C 3.59Å; E62-V68 WeakPolarHBondContact O-CA 3.49Å; E62-R69 HydrophobicContact CB-CB 4.49Å; E62-R69 PolarHBondContact N-O 2.99Å; E62-R69 PolarHBondContact O-N 3.15Å; E62-R69 IonicContact OE1-NH2 2.75Å; E62-R69 PolarHBondContact OE1-NH2 3.42Å; E62-R69 IonicContact OE2-CZ 2.77Å; E62-R69 IonicContact OE2-NE 2.87Å; E62-R69 PolarHBondContact OE2-NE 3.39Å; E62-R69 IonicContact OE2-NH2 3.6Å; E62-R69 PolarHBondContact OE2-NH2 2.85Å
63G98.3Very high97Very high4 Ų430.4 Ų30.44%0.04114%0.139CC..EExtended strand (participates in β ladder)trans-99.7155.3-179.300000112.7L46L46-G63 WeakPolarHBondContact CB-O 3.29Å; L46-G63 PolarHBondContact N-O 3.46Å
64S98.3Very high97Very high3 Ų327.2 Ų27.22%0.02113%0.128CC..BIsolated β-bridgetrans-140178.9164.780.10000109.7I36 L44 N66 S67I36-S64 PolarHBondContact N-OG 3.14Å; L44-S64 CarbonylContact O-C 3.53Å; L44-S64 WeakPolarHBondContact O-CA 3.45Å; L44-S64 WeakPolarHBondContact O-CB 3.44Å; S64-N66 PolarHBondContact O-N 3.46Å; S64-N66 PolarHBondContact OG-N 2.88Å; S64-N66 PolarHBondContact OG-OD1 3.27Å; S64-S67 PolarHBondContact N-O 3.47Å; S64-S67 PolarHBondContact OG-N 2.83Å; S64-S67 VanDerWaalsContact OG-N 3.17Å; S64-S67 PolarHBondContact OG-O 3.49Å; S64-S67 VanDerWaalsContact OG-O 3.09Å; S64-S67 PolarHBondContact OG-OG 3.3Å
65I98Very high96.9Very high40 Ų4028.4 Ų28.421%0.20513%0.13CC..SBendtrans-56.7-33.5178.6-165.9157.8000114.4V20 Q21 F23 E35 L44V20-I65 WeakPolarHBondContact CA-O 3.2Å; Q21-I65 HydrophobicContact CG-CG1 3.96Å; Q21-I65 PolarHBondContact N-O 2.93Å; F23-I65 HydrophobicContact CB-CG1 4.49Å; F23-I65 HydrophobicContact CB-CG2 3.87Å; F23-I65 HydrophobicContact CD1-CG2 3.97Å; F23-I65 HydrophobicContact CD2-CD1 3.42Å; F23-I65 VanDerWaalsContact CD2-CD1 3.42Å; F23-I65 HydrophobicContact CD2-CG1 4.02Å; F23-I65 HydrophobicContact CD2-CG2 4.21Å; F23-I65 HydrophobicContact CE2-CD1 3.56Å; F23-I65 HydrophobicContact CG-CD1 4.11Å; F23-I65 HydrophobicContact CG-CG1 4.34Å; F23-I65 HydrophobicContact CG-CG2 3.74Å; F23-I65 HydrophobicContact CZ-CD1 4.35Å; E35-I65 HydrophobicContact CG-CG2 4.13Å; L44-I65 HydrophobicContact CB-CB 4.49Å; L44-I65 HydrophobicContact CB-CG2 3.96Å; L44-I65 HydrophobicContact CD1-CG2 4.24Å; L44-I65 HydrophobicContact CD2-CD1 4.12Å; L44-I65 HydrophobicContact CD2-CG2 4.14Å; L44-I65 HydrophobicContact CG-CG2 4.34Å; L44-I65 PolarHBondContact O-N 3.38Å
66N97.9Very high97.1Very high0 Ų021.7 Ų21.70%010%0.099CC..SBendtrans-125.7-0.4-172.771.3-8.8000114.3Q21 F23 K33 E35 S64 T117 N118Q21-N66 VanDerWaalsContact O-CA 3.29Å; Q21-N66 WeakPolarHBondContact O-CA 3.31Å; Q21-N66 WeakPolarHBondContact O-CB 3.42Å; F23-N66 HydrophobicContact CB-CB 3.95Å; K33-N66 PolarHBondContact O-ND2 2.83Å; E35-N66 WeakPolarHBondContact CB-OD1 3.15Å; E35-N66 WeakPolarHBondContact CG-OD1 3.47Å; E35-N66 PolarHBondContact N-OD1 2.79Å; S64-N66 PolarHBondContact O-N 3.46Å; S64-N66 PolarHBondContact OG-N 2.88Å; S64-N66 PolarHBondContact OG-OD1 3.27Å; N66-T117 CarbonylContact O-C 3.6Å; N66-T117 WeakPolarHBondContact O-CA 3.45Å; N66-N118 PolarHBondContact O-N 3.34Å
67S98.4Very high97.1Very high0 Ų018.7 Ų18.70%09%0.093CC..EExtended strand (participates in β ladder)trans-157.6153-178.148.60000113P34 E35 I36 S64 I116P34-S67 VanDerWaalsContact CA-OG 3.29Å; P34-S67 WeakPolarHBondContact CA-OG 3.37Å; P34-S67 WeakPolarHBondContact CB-OG 3.42Å; E35-S67 PolarHBondContact N-OG 3.17Å; I36-S67 VanDerWaalsContact CG2-OG 3.3Å; I36-S67 WeakPolarHBondContact CG2-OG 3.42Å; I36-S67 PolarHBondContact N-OG 2.92Å; S64-S67 PolarHBondContact N-O 3.47Å; S64-S67 PolarHBondContact OG-N 2.83Å; S64-S67 VanDerWaalsContact OG-N 3.17Å; S64-S67 PolarHBondContact OG-O 3.49Å; S64-S67 VanDerWaalsContact OG-O 3.09Å; S64-S67 PolarHBondContact OG-OG 3.3Å; S67-I116 CarbonylContact C-O 3.53Å; S67-I116 WeakPolarHBondContact CA-O 3.38Å
68V98.7Very high97.1Very high0 Ų020.5 Ų20.50%010%0.103CC..EExtended strand (participates in β ladder)trans-128.9131.8175.5-1790000108.6A17 L18 V20 I61 E62 V70 I116A17-V68 HydrophobicContact CB-CG1 4.15Å; A17-V68 HydrophobicContact CB-CG2 4.22Å; A17-V68 WeakPolarHBondContact O-CG2 3.38Å; L18-V68 HydrophobicContact CD2-CB 3.92Å; L18-V68 HydrophobicContact CD2-CG2 3.82Å; L18-V68 HydrophobicContact CG-CG2 4.43Å; V20-V68 HydrophobicContact CG1-CG2 3.83Å; I61-V68 HydrophobicContact CG2-CG1 3.94Å; E62-V68 CarbonylContact O-C 3.59Å; E62-V68 WeakPolarHBondContact O-CA 3.49Å; V68-V70 HydrophobicContact CG1-CG2 4.04Å; V68-I116 PolarHBondContact N-O 3.49Å; V68-I116 PolarHBondContact O-N 3.03Å
69R98.7Very high97Very high17 Ų1723.7 Ų23.76%0.06412%0.121CC..EExtended strand (participates in β ladder)trans-105.6126.7170.3-173.2162.265.4-1561.3110.1I36 E37 E62 V107 F114I36-R69 HydrophobicContact CG1-CB 4.05Å; I36-R69 HydrophobicContact CG2-CB 4.18Å; E37-R69 VanDerWaalsContact OE1-CD 3.3Å; E37-R69 WeakPolarHBondContact OE1-CD 3.37Å; E37-R69 IonicContact OE1-CZ 3.87Å; E37-R69 IonicContact OE1-NE 2.77Å; E37-R69 IonicContact OE1-NH1 3.7Å; E37-R69 PolarHBondContact OE1-NH1 3.25Å; E37-R69 IonicContact OE2-NH1 3.54Å; E37-R69 PolarHBondContact OE2-NH1 3.48Å; E62-R69 HydrophobicContact CB-CB 4.49Å; E62-R69 PolarHBondContact N-O 2.99Å; E62-R69 PolarHBondContact O-N 3.15Å; E62-R69 IonicContact OE1-NH2 2.75Å; E62-R69 PolarHBondContact OE1-NH2 3.42Å; E62-R69 IonicContact OE2-CZ 2.77Å; E62-R69 IonicContact OE2-NE 2.87Å; E62-R69 PolarHBondContact OE2-NE 3.39Å; E62-R69 IonicContact OE2-NH2 3.6Å; E62-R69 PolarHBondContact OE2-NH2 2.85Å; R69-V107 HydrophobicContact CG-CG2 4.46Å; R69-F114 CarbonylContact C-O 3.59Å; R69-F114 VanDerWaalsContact CA-O 3.31Å; R69-F114 WeakPolarHBondContact CA-O 3.37Å
70V98.7Very high96.8Very high0 Ų027.1 Ų27.10%014%0.138CC..EExtended strand (participates in β ladder)trans-117.3116.1179.2-173.30000108L14 V59 L60 I61 V68 I72 S113 F114 V133L14-V70 HydrophobicContact CD2-CG1 4.23Å; L14-V70 HydrophobicContact CD2-CG2 3.49Å; L14-V70 VanDerWaalsContact CD2-CG2 3.49Å; V59-V70 HydrophobicContact CG1-CG1 3.56Å; L60-V70 CarbonylContact O-C 3.53Å; L60-V70 WeakPolarHBondContact O-CA 3.4Å; I61-V70 HydrophobicContact CG1-CG1 4.43Å; V68-V70 HydrophobicContact CG1-CG2 4.04Å; V70-I72 HydrophobicContact CG1-CG1 4.45Å; V70-S113 CarbonylContact O-C 3.49Å; V70-S113 WeakPolarHBondContact O-CA 3.25Å; V70-F114 HydrophobicContact CB-CB 4.29Å; V70-F114 HydrophobicContact CB-CD2 4.44Å; V70-F114 PolarHBondContact N-O 2.85Å; V70-F114 PolarHBondContact O-N 3.18Å; V70-V133 HydrophobicContact CG1-CG1 4.29Å
71S98.6Very high96.7Very high0 Ų027 Ų270%014%0.137CC..EExtended strand (participates in β ladder)trans-117.4127.8-178.2-55.60000110.3V59 L60 V107 Y110 I112 S113V59-S71 CarbonylContact C-O 3.59Å; V59-S71 VanDerWaalsContact CA-O 3.28Å; V59-S71 WeakPolarHBondContact CA-O 3.45Å; V59-S71 WeakPolarHBondContact CG1-O 3.29Å; L60-S71 PolarHBondContact N-O 2.75Å; L60-S71 PolarHBondContact O-N 2.78Å; S71-V107 WeakPolarHBondContact OG-CG2 3.31Å; S71-Y110 VanDerWaalsContact C-CD1 3.44Å; S71-Y110 VanDerWaalsContact O-CD1 3.29Å; S71-Y110 WeakPolarHBondContact O-CD1 3.43Å; S71-Y110 WeakPolarHBondContact O-CE1 3.45Å; S71-I112 WeakPolarHBondContact CA-O 3.26Å; S71-S113 WeakPolarHBondContact CB-OG 3.27Å; S71-S113 PolarHBondContact OG-OG 3.28Å
72I98.2Very high96.5Very high5 Ų531.3 Ų31.33%0.02616%0.156CC..EExtended strand (participates in β ladder)trans-115.9128.1-170.4-56.9165.7000109.2V59 V70 I74 D111 I112 F114 F136 M137V59-I72 HydrophobicContact CG1-CG1 4.31Å; V59-I72 HydrophobicContact CG2-CG1 4.18Å; V70-I72 HydrophobicContact CG1-CG1 4.45Å; I72-I74 HydrophobicContact CG2-CG1 4.03Å; I72-D111 PolarHBondContact O-N 2.77Å; I72-I112 HydrophobicContact CB-CG2 3.96Å; I72-I112 HydrophobicContact CD1-CG2 4.29Å; I72-I112 PolarHBondContact N-O 2.85Å; I72-I112 PolarHBondContact O-N 2.99Å; I72-F114 HydrophobicContact CD1-CD2 4.16Å; I72-F114 HydrophobicContact CD1-CE2 3.65Å; I72-F136 HydrophobicContact CD1-CD1 3.96Å; I72-F136 HydrophobicContact CD1-CE1 3.97Å; I72-M137 HydrophobicContact CD1-CG 3.68Å; I72-M137 HydrophobicContact CD1-SD 4.16Å; I72-M137 HydrophobicContact CG1-CG 4.43Å; I72-M137 HydrophobicContact CG1-SD 4.47Å
73A97.4Very high96.4Very high6 Ų634.3 Ų34.35%0.0517%0.172CC..EExtended strand (participates in β ladder)trans-99.9120.1167.600000107.9R58 Y110 D111R58-A73 HydrophobicContact CG-CB 3.78Å; R58-A73 PolarHBondContact N-O 2.94Å; R58-A73 PolarHBondContact O-N 2.89Å; A73-Y110 HydrophobicContact CB-CD1 4.01Å; A73-Y110 HydrophobicContact CB-CE1 4.33Å; A73-D111 WeakPolarHBondContact CA-OD2 3.49Å
74I95.9Very high96.4Very high9 Ų935.2 Ų35.25%0.04618%0.176CC..PPolyproline II helixtrans-98146-172-58.8160.7000108.8I72 Q76 T89 D111 I112 I140 I144I72-I74 HydrophobicContact CG2-CG1 4.03Å; I74-Q76 PolarHBondContact O-N 2.97Å; I74-T89 HydrophobicContact CD1-CG2 3.96Å; I74-D111 HydrophobicContact CD1-CB 3.83Å; I74-D111 HydrophobicContact CG1-CB 4.23Å; I74-D111 PolarHBondContact N-OD2 2.81Å; I74-I112 HydrophobicContact CD1-CG2 4.42Å; I74-I140 HydrophobicContact CD1-CD1 3.35Å; I74-I140 HydrophobicContact CD1-CG1 3.96Å; I74-I140 HydrophobicContact CG1-CD1 4.25Å; I74-I140 HydrophobicContact CG1-CG2 4.46Å; I74-I140 HydrophobicContact CG2-CG1 4.42Å; I74-I140 HydrophobicContact CG2-CG2 4.34Å; I74-I144 HydrophobicContact CG2-CD1 3.61Å
75K92Very high96.3Very high93 Ų9335 Ų3540%0.40418%0.175SC..PPolyproline II helixtrans-62.7127.4176.7-170.3-176.2167.5-164.20110.6E57 S77E57-K75 HydrophobicContact CG-CB 3.63Å; E57-K75 HydrophobicContact CG-CG 4.32Å; K75-S77 WeakPolarHBondContact CE-OG 3.43Å
76Q93.1Very high96.2Very high42 Ų4240.8 Ų40.820%0.19619%0.193CC..  trans-131.4106.2174.5-64.3165.113.700108.2I74 K82 C85 D111I74-Q76 PolarHBondContact O-N 2.97Å; Q76-K82 HydrophobicContact CB-CB 4.34Å; Q76-C85 HydrophobicContact CG-CB 4.07Å; Q76-C85 PolarHBondContact NE2-SG 2.89Å; Q76-D111 PolarHBondContact NE2-OD1 3.09Å
77S91.4Very high96.1Very high58 Ų5847.2 Ų47.241%0.40622%0.221SC..  trans-84.7-30.5-171.2-450000112.7K75 E81K75-S77 WeakPolarHBondContact CE-OG 3.43Å; S77-E81 WeakPolarHBondContact CA-OE2 3.39Å; S77-E81 WeakPolarHBondContact CB-OE2 3.49Å; S77-E81 PolarHBondContact N-OE2 3.09Å; S77-E81 PolarHBondContact OG-OE2 2.91Å
78D94Very high95.9Very high49 Ų4949.2 Ų49.226%0.26223%0.23SC..SBendtrans-146.7178.2-179.462.129.9000111.7I80 E81 K82 R148D78-I80 VanDerWaalsContact C-N 3.25Å; D78-I80 PolarHBondContact O-N 2.84Å; D78-I80 WeakPolarHBondContact OD1-CB 3.48Å; D78-I80 PolarHBondContact OD1-N 3.04Å; D78-I80 VanDerWaalsContact OD1-N 3.08Å; D78-E81 PolarHBondContact O-N 3.42Å; D78-E81 PolarHBondContact OD1-N 2.98Å; D78-K82 WeakPolarHBondContact O-CB 3.41Å; D78-K82 PolarHBondContact O-N 3.49Å; D78-R148 IonicContact OD2-CZ 2.75Å; D78-R148 IonicContact OD2-NE 3.26Å; D78-R148 IonicContact OD2-NH1 3.63Å; D78-R148 IonicContact OD2-NH2 2.87Å; D78-R148 PolarHBondContact OD2-NH2 3.24Å
79E95.1Very high95.7Very high137 Ų13749.5 Ų49.564%0.6423%0.232SC*.Hα-helixtrans-66.5-25.3-178.9-69.8-60.3132.400113.2K82 L83E79-K82 IonicContact OE1-NZ 3.44Å; E79-K82 PolarHBondContact OE1-NZ 3.23Å; E79-K82 IonicContact OE2-NZ 3.73Å; E79-L83 WeakPolarHBondContact O-CB 3.17Å; E79-L83 PolarHBondContact O-N 3.04Å
80I94.4Very high95.5Very high73 Ų7357.4 Ų57.437%0.37426%0.262SS..Hα-helixtrans-70.4-50.5175.4-64.8176.2000109.3D78 K82 L83 L84 R148D78-I80 VanDerWaalsContact C-N 3.25Å; D78-I80 PolarHBondContact O-N 2.84Å; D78-I80 WeakPolarHBondContact OD1-CB 3.48Å; D78-I80 PolarHBondContact OD1-N 3.04Å; D78-I80 VanDerWaalsContact OD1-N 3.08Å; I80-K82 VanDerWaalsContact C-N 3.29Å; I80-K82 PolarHBondContact O-N 3.29Å; I80-L83 PolarHBondContact O-N 3.42Å; I80-L83 VanDerWaalsContact O-N 3.16Å; I80-L84 HydrophobicContact CG2-CD1 3.84Å; I80-L84 HydrophobicContact CG2-CG 4.28Å; I80-L84 WeakPolarHBondContact O-CB 3.49Å; I80-L84 VanDerWaalsContact O-CG 3.29Å; I80-L84 WeakPolarHBondContact O-CG 3.41Å; I80-L84 PolarHBondContact O-N 3.34Å; I80-R148 HydrophobicContact CG2-CG 4.33Å
81E95.3Very high95.3Very high13 Ų1362.6 Ų62.66%0.06129%0.285CS..Hα-helixtrans-60.7-39176.8-75.3-178.5-170.500111.7S77 D78 L83 L84 C85 I144 R148S77-E81 WeakPolarHBondContact CA-OE2 3.39Å; S77-E81 WeakPolarHBondContact CB-OE2 3.49Å; S77-E81 PolarHBondContact N-OE2 3.09Å; S77-E81 PolarHBondContact OG-OE2 2.91Å; D78-E81 PolarHBondContact O-N 3.42Å; D78-E81 PolarHBondContact OD1-N 2.98Å; E81-L83 PolarHBondContact O-N 3.32Å; E81-L84 PolarHBondContact O-N 2.92Å; E81-C85 WeakPolarHBondContact O-CB 3.34Å; E81-C85 PolarHBondContact O-N 2.69Å; E81-I144 HydrophobicContact CB-CG2 4.21Å; E81-I144 HydrophobicContact CG-CG2 3.99Å; E81-R148 IonicContact OE1-CZ 3.58Å; E81-R148 IonicContact OE1-NH1 3.1Å; E81-R148 PolarHBondContact OE1-NH1 2.98Å
82K95.8Very high95.1Very high96 Ų9663.9 Ų63.942%0.41729%0.291SS..Hα-helixtrans-61.5-43.6174.3-176.9174.2179.1-169.10112.3Q76 D78 E79 I80 R86Q76-K82 HydrophobicContact CB-CB 4.34Å; D78-K82 WeakPolarHBondContact O-CB 3.41Å; D78-K82 PolarHBondContact O-N 3.49Å; E79-K82 IonicContact OE1-NZ 3.44Å; E79-K82 PolarHBondContact OE1-NZ 3.23Å; E79-K82 IonicContact OE2-NZ 3.73Å; I80-K82 VanDerWaalsContact C-N 3.29Å; I80-K82 PolarHBondContact O-N 3.29Å; K82-R86 VanDerWaalsContact O-CB 3.24Å; K82-R86 WeakPolarHBondContact O-CB 3.26Å; K82-R86 PolarHBondContact O-N 3.48Å
83L96.5Very high94.7Very high75 Ų7564.9 Ų64.939%0.39330%0.296SS..Hα-helixtrans-65.5-44.4176.1179.162000111.9E79 I80 E81 K87E79-L83 WeakPolarHBondContact O-CB 3.17Å; E79-L83 PolarHBondContact O-N 3.04Å; I80-L83 PolarHBondContact O-N 3.42Å; I80-L83 VanDerWaalsContact O-N 3.16Å; E81-L83 PolarHBondContact O-N 3.32Å; L83-K87 HydrophobicContact CD1-CD 4.34Å; L83-K87 HydrophobicContact CD1-CG 4.45Å; L83-K87 HydrophobicContact CG-CD 4.38Å; L83-K87 WeakPolarHBondContact O-CB 3.28Å; L83-K87 WeakPolarHBondContact O-CG 3.3Å; L83-K87 PolarHBondContact O-N 2.66Å
84L97Very high94.4Very high23 Ų2369.5 Ų69.512%0.1232%0.324CS..Hα-helixtrans-64-51.3179.3-71.3174.8000111.1I80 E81 R86 K87 F88 M147 R148 V151I80-L84 HydrophobicContact CG2-CD1 3.84Å; I80-L84 HydrophobicContact CG2-CG 4.28Å; I80-L84 WeakPolarHBondContact O-CB 3.49Å; I80-L84 VanDerWaalsContact O-CG 3.29Å; I80-L84 WeakPolarHBondContact O-CG 3.41Å; I80-L84 PolarHBondContact O-N 3.34Å; E81-L84 PolarHBondContact O-N 2.92Å; L84-R86 VanDerWaalsContact C-N 3.33Å; L84-R86 PolarHBondContact O-N 3.43Å; L84-K87 PolarHBondContact O-N 2.89Å; L84-K87 VanDerWaalsContact O-N 3.13Å; L84-F88 VanDerWaalsContact O-CB 3.31Å; L84-F88 WeakPolarHBondContact O-CB 3.21Å; L84-F88 PolarHBondContact O-N 2.83Å; L84-M147 HydrophobicContact CD1-CB 4.05Å; L84-M147 HydrophobicContact CD2-CB 4.2Å; L84-R148 HydrophobicContact CD1-CB 3.87Å; L84-V151 HydrophobicContact CD2-CG2 4.33Å
85C96.7Very high94.2Very high0 Ų074.4 Ų74.40%034%0.342CS..Hα-helixtrans-54.7-49.6176.3-175.50000110.8Q76 E81 K87 F88 T89 I144Q76-C85 HydrophobicContact CG-CB 4.07Å; Q76-C85 PolarHBondContact NE2-SG 2.89Å; E81-C85 WeakPolarHBondContact O-CB 3.34Å; E81-C85 PolarHBondContact O-N 2.69Å; C85-K87 PolarHBondContact O-N 2.88Å; C85-F88 PolarHBondContact O-N 2.82Å; C85-T89 WeakPolarHBondContact O-CG2 3.37Å; C85-T89 PolarHBondContact O-N 2.91Å; C85-T89 PolarHBondContact O-OG1 2.63Å; C85-I144 HydrophobicContact CB-CD1 3.79Å
86R95.7Very high93.9Very high160 Ų16070.5 Ų70.560%0.60433%0.327SS*.Hα-helixtrans-60-41.8177.8-175.9-179.769175.4-0.2112.9K82 L84 T89 R90K82-R86 VanDerWaalsContact O-CB 3.24Å; K82-R86 WeakPolarHBondContact O-CB 3.26Å; K82-R86 PolarHBondContact O-N 3.48Å; L84-R86 VanDerWaalsContact C-N 3.33Å; L84-R86 PolarHBondContact O-N 3.43Å; R86-T89 PolarHBondContact O-OG1 3.11Å; R86-R90 WeakPolarHBondContact O-CB 3.32Å; R86-R90 PolarHBondContact O-N 2.75Å; R86-R90 VanDerWaalsContact O-N 3.15Å
87K95.5Very high93.3Very high135 Ų13575.3 Ų75.359%0.58735%0.349SS*.Hα-helixtrans-67.7-43.8178.1-82.1179.6175.8-80.80111L83 L84 C85 R90 F91L83-K87 HydrophobicContact CD1-CD 4.34Å; L83-K87 HydrophobicContact CD1-CG 4.45Å; L83-K87 HydrophobicContact CG-CD 4.38Å; L83-K87 WeakPolarHBondContact O-CB 3.28Å; L83-K87 WeakPolarHBondContact O-CG 3.3Å; L83-K87 PolarHBondContact O-N 2.66Å; L84-K87 PolarHBondContact O-N 2.89Å; L84-K87 VanDerWaalsContact O-N 3.13Å; C85-K87 PolarHBondContact O-N 2.88Å; K87-R90 PolarHBondContact O-N 2.85Å; K87-F91 WeakPolarHBondContact O-CB 3.33Å; K87-F91 PolarHBondContact O-N 3.48Å
88F95.3Very high93Very high42 Ų4279.1 Ų79.118%0.18437%0.365CS..Hα-helixtrans-63.6-51180-180-112.3000112.2L84 C85 R90 F91 M92 I140 E143 M147L84-F88 VanDerWaalsContact O-CB 3.31Å; L84-F88 WeakPolarHBondContact O-CB 3.21Å; L84-F88 PolarHBondContact O-N 2.83Å; C85-F88 PolarHBondContact O-N 2.82Å; F88-R90 VanDerWaalsContact C-N 3.32Å; F88-R90 PolarHBondContact O-N 2.82Å; F88-F91 WeakPolarHBondContact O-CB 3.31Å; F88-F91 PolarHBondContact O-N 3.28Å; F88-M92 HydrophobicContact CD1-CE 3.48Å; F88-M92 VanDerWaalsContact CD1-CE 3.48Å; F88-M92 HydrophobicContact CD1-SD 4.44Å; F88-M92 HydrophobicContact CE1-CE 3.18Å; F88-M92 HydrophobicContact CE1-SD 3.73Å; F88-M92 HydrophobicContact CE2-SD 4.34Å; F88-M92 HydrophobicContact CG-CE 4.28Å; F88-M92 HydrophobicContact CZ-CE 3.76Å; F88-M92 HydrophobicContact CZ-CG 4.39Å; F88-M92 HydrophobicContact CZ-SD 3.66Å; F88-M92 PolarHBondContact O-N 3.18Å; F88-I140 HydrophobicContact CD1-CD1 4.05Å; F88-I140 HydrophobicContact CD1-CG1 4.33Å; F88-I140 HydrophobicContact CE1-CD1 3.7Å; F88-I140 HydrophobicContact CE1-CG1 3.98Å; F88-E143 HydrophobicContact CE2-CG 3.97Å; F88-E143 HydrophobicContact CZ-CG 3.95Å; F88-M147 HydrophobicContact CB-CE 3.92Å; F88-M147 HydrophobicContact CD2-CE 4.12Å; F88-M147 HydrophobicContact CD2-SD 4.47Å; F88-M147 HydrophobicContact CG-CE 4Å
89T95.3Very high92.6Very high7 Ų779.3 Ų79.34%0.04336%0.363CS..Hα-helixtrans-64.2-38.7178.360.50000111.6I74 C85 R86 F91 M92 M93 D111 I112I74-T89 HydrophobicContact CD1-CG2 3.96Å; C85-T89 WeakPolarHBondContact O-CG2 3.37Å; C85-T89 PolarHBondContact O-N 2.91Å; C85-T89 PolarHBondContact O-OG1 2.63Å; R86-T89 PolarHBondContact O-OG1 3.11Å; T89-F91 PolarHBondContact O-N 3.36Å; T89-M92 HydrophobicContact CG2-CE 4.24Å; T89-M92 PolarHBondContact O-N 2.77Å; T89-M93 WeakPolarHBondContact O-CB 3.45Å; T89-M93 WeakPolarHBondContact O-CE 3.5Å; T89-M93 VanDerWaalsContact O-CG 3.3Å; T89-M93 WeakPolarHBondContact O-CG 3.3Å; T89-M93 PolarHBondContact O-N 3.47Å; T89-D111 HydrophobicContact CG2-CB 4.33Å; T89-D111 PolarHBondContact OG1-O 3.16Å; T89-I112 HydrophobicContact CG2-CB 4.12Å
90R94.2Very high92.5Very high183 Ų18376 Ų7669%0.69135%0.353SS*.Hα-helixtrans-61.5-43.4173.9-172.6175.1-176.8173.30.4112R86 K87 F88 M92 M93 T94R86-R90 WeakPolarHBondContact O-CB 3.32Å; R86-R90 PolarHBondContact O-N 2.75Å; R86-R90 VanDerWaalsContact O-N 3.15Å; K87-R90 PolarHBondContact O-N 2.85Å; F88-R90 VanDerWaalsContact C-N 3.32Å; F88-R90 PolarHBondContact O-N 2.82Å; R90-M92 VanDerWaalsContact C-N 3.34Å; R90-M92 PolarHBondContact O-N 2.87Å; R90-M93 PolarHBondContact O-N 3.09Å; R90-T94 WeakPolarHBondContact O-CG2 3.5Å; R90-T94 PolarHBondContact O-N 2.91Å
91F94.1Very high92.5Very high109 Ų10972.8 Ų72.848%0.47834%0.336SS..Hα-helixtrans-60-43.2176171.8-88000111.9K87 F88 T89 T94 R95K87-F91 WeakPolarHBondContact O-CB 3.33Å; K87-F91 PolarHBondContact O-N 3.48Å; F88-F91 WeakPolarHBondContact O-CB 3.31Å; F88-F91 PolarHBondContact O-N 3.28Å; T89-F91 PolarHBondContact O-N 3.36Å; F91-T94 PolarHBondContact O-N 2.77Å; F91-T94 PolarHBondContact O-OG1 3.26Å; F91-R95 VanDerWaalsContact CE2-NH2 3.31Å; F91-R95 PolarHBondContact O-NH1 2.87Å
92M93.3Very high92.6Very high26 Ų2672.7 Ų72.713%0.12834%0.336CS..Hα-helixtrans-64.3-45.5175.4-69.8-170.2-69.400111.7F88 T89 R90 T94 R95 L102 I112 F136 I140F88-M92 HydrophobicContact CD1-CE 3.48Å; F88-M92 VanDerWaalsContact CD1-CE 3.48Å; F88-M92 HydrophobicContact CD1-SD 4.44Å; F88-M92 HydrophobicContact CE1-CE 3.18Å; F88-M92 HydrophobicContact CE1-SD 3.73Å; F88-M92 HydrophobicContact CE2-SD 4.34Å; F88-M92 HydrophobicContact CG-CE 4.28Å; F88-M92 HydrophobicContact CZ-CE 3.76Å; F88-M92 HydrophobicContact CZ-CG 4.39Å; F88-M92 HydrophobicContact CZ-SD 3.66Å; F88-M92 PolarHBondContact O-N 3.18Å; T89-M92 HydrophobicContact CG2-CE 4.24Å; T89-M92 PolarHBondContact O-N 2.77Å; R90-M92 VanDerWaalsContact C-N 3.34Å; R90-M92 PolarHBondContact O-N 2.87Å; M92-T94 PolarHBondContact O-N 2.91Å; M92-R95 CarbonylContact O-C 3.59Å; M92-R95 WeakPolarHBondContact O-CA 3.4Å; M92-R95 PolarHBondContact O-N 3.47Å; M92-L102 HydrophobicContact CB-CD2 3.96Å; M92-L102 WeakPolarHBondContact O-CD2 3.42Å; M92-I112 HydrophobicContact CE-CD1 3.58Å; M92-F136 HydrophobicContact CE-CE2 3.66Å; M92-F136 HydrophobicContact CE-CZ 3.7Å; M92-F136 HydrophobicContact SD-CE2 3.63Å; M92-F136 HydrophobicContact SD-CZ 4.28Å; M92-I140 HydrophobicContact CE-CD1 4.36Å
93M91.3Very high92.6Very high27 Ų2770.8 Ų70.813%0.13333%0.326CS..Hα-helixtrans-63.3-27.1-179.9-71.2-175.5-67.200113.4T89 R90 R95 A96 L102 P106T89-M93 WeakPolarHBondContact O-CB 3.45Å; T89-M93 WeakPolarHBondContact O-CE 3.5Å; T89-M93 VanDerWaalsContact O-CG 3.3Å; T89-M93 WeakPolarHBondContact O-CG 3.3Å; T89-M93 PolarHBondContact O-N 3.47Å; R90-M93 PolarHBondContact O-N 3.09Å; M93-R95 PolarHBondContact O-N 2.96Å; M93-A96 WeakPolarHBondContact O-CB 3.44Å; M93-A96 PolarHBondContact O-N 3.33Å; M93-L102 HydrophobicContact CB-CD2 4.49Å; M93-L102 HydrophobicContact CG-CD2 4.14Å; M93-L102 HydrophobicContact CG-CG 4.43Å; M93-P106 VanDerWaalsContact SD-CD 3.55Å; M93-P106 HydrophobicContact SD-CG 4.4Å
94T91Very high92.5Very high103 Ų10375.7 Ų75.763%0.63234%0.339SS*.Hα-helixtrans-67.8-17.9171.754.40000113.8R90 F91 M92R90-T94 WeakPolarHBondContact O-CG2 3.5Å; R90-T94 PolarHBondContact O-N 2.91Å; F91-T94 PolarHBondContact O-N 2.77Å; F91-T94 PolarHBondContact O-OG1 3.26Å; M92-T94 PolarHBondContact O-N 2.91Å
95R90.4Very high92.5Very high112 Ų11281.7 Ų81.742%0.42337%0.365SS..THydrogen-bonded Turntrans-106.221.8176.5-67.1179.8175.470.1-2.2112.8F91 M92 M93 E97 D98 F99F91-R95 VanDerWaalsContact CE2-NH2 3.31Å; F91-R95 PolarHBondContact O-NH1 2.87Å; M92-R95 CarbonylContact O-C 3.59Å; M92-R95 WeakPolarHBondContact O-CA 3.4Å; M92-R95 PolarHBondContact O-N 3.47Å; M93-R95 PolarHBondContact O-N 2.96Å; R95-E97 PolarHBondContact O-N 2.77Å; R95-E97 VanDerWaalsContact O-N 3.09Å; R95-D98 PolarHBondContact O-N 3.27Å; R95-D98 VanDerWaalsContact O-N 3.16Å; R95-F99 PolarHBondContact O-N 3.02Å
96A85.8Confident92.5Very high11 Ų1183.2 Ų83.29%0.09137%0.374CS..THydrogen-bonded Turntrans-63.7-12.9179.800000113.8M93 F99 L102 R104M93-A96 WeakPolarHBondContact O-CB 3.44Å; M93-A96 PolarHBondContact O-N 3.33Å; A96-F99 CarbonylContact O-C 3.55Å; A96-L102 HydrophobicContact CB-CB 4.19Å; A96-L102 HydrophobicContact CB-CD2 4.35Å; A96-L102 HydrophobicContact CB-CG 4.36Å; A96-R104 HydrophobicContact CB-CG 4.05Å
97E81.1Confident92.6Very high142 Ų14276.4 Ų76.466%0.66435%0.35SS*.THydrogen-bonded Turntrans-73.4-43.4172.6-66.3-175174.200111.7R95 F99 R104R95-E97 PolarHBondContact O-N 2.77Å; R95-E97 VanDerWaalsContact O-N 3.09Å; E97-F99 VanDerWaalsContact C-N 3.35Å; E97-R104 IonicContact OE1-CZ 3.73Å; E97-R104 IonicContact OE1-NH1 3.8Å; E97-R104 IonicContact OE1-NH2 3.79Å; E97-R104 PolarHBondContact OE1-NH2 2.96Å
98D85.4Confident92.6Very high138 Ų13875.7 Ų75.774%0.73836%0.36SS*.THydrogen-bonded Turntrans-73.6-34.5174.4-57.1-46.6000111R95 V100R95-D98 PolarHBondContact O-N 3.27Å; R95-D98 VanDerWaalsContact O-N 3.16Å; D98-V100 PolarHBondContact O-N 3.48Å
99F86.5Confident92.7Very high53 Ų5376.5 Ų76.523%0.23238%0.38CS..SBendtrans-10275.7-177.6-170.5-150.5000110.9R95 A96 E97 I101 L102 F114 F132R95-F99 PolarHBondContact O-N 3.02Å; A96-F99 CarbonylContact O-C 3.55Å; E97-F99 VanDerWaalsContact C-N 3.35Å; F99-I101 HydrophobicContact CD2-CG1 4.21Å; F99-I101 HydrophobicContact CE2-CD1 3.89Å; F99-I101 HydrophobicContact CE2-CG1 3.49Å; F99-I101 VanDerWaalsContact CE2-CG1 3.49Å; F99-I101 HydrophobicContact CZ-CD1 4.03Å; F99-I101 HydrophobicContact CZ-CG1 3.74Å; F99-I101 PolarHBondContact O-N 3.29Å; F99-L102 HydrophobicContact CB-CB 4.38Å; F99-L102 HydrophobicContact CD1-CB 3.57Å; F99-L102 HydrophobicContact CD1-CD2 3.8Å; F99-L102 HydrophobicContact CD1-CG 4.15Å; F99-L102 HydrophobicContact CE1-CB 3.89Å; F99-L102 HydrophobicContact CE1-CD1 4.26Å; F99-L102 HydrophobicContact CE1-CD2 4.28Å; F99-L102 HydrophobicContact CE1-CG 4.36Å; F99-L102 HydrophobicContact CG-CB 4.1Å; F99-L102 VanDerWaalsContact O-CB 3.24Å; F99-L102 WeakPolarHBondContact O-CB 3.28Å; F99-L102 PolarHBondContact O-N 2.92Å; F99-F114 HydrophobicContact CE1-CD1 4.42Å; F99-F114 AromaticContact CE1-CE1 3.6Å; F99-F114 HydrophobicContact CE1-CE1 3.6Å; F99-F114 HydrophobicContact CE1-CZ 4.49Å; F99-F114 HydrophobicContact CZ-CD1 4.2Å; F99-F114 AromaticContact CZ-CE1 3.55Å; F99-F114 HydrophobicContact CZ-CE1 3.55Å; F99-F114 HydrophobicContact CZ-CZ 4.47Å; F99-F132 HydrophobicContact CE1-CE1 4.24Å; F99-F132 AromaticContact CE1-CZ 3.86Å; F99-F132 HydrophobicContact CE1-CZ 3.86Å; F99-F132 HydrophobicContact CE2-CD1 4.48Å; F99-F132 AromaticContact CE2-CE1 3.81Å; F99-F132 HydrophobicContact CE2-CE1 3.81Å; F99-F132 AromaticContact CE2-CE2 3.95Å; F99-F132 HydrophobicContact CE2-CE2 3.95Å; F99-F132 AromaticContact CE2-CZ 3.49Å; F99-F132 HydrophobicContact CE2-CZ 3.49Å; F99-F132 VanDerWaalsContact CE2-CZ 3.49Å; F99-F132 HydrophobicContact CZ-CD1 4.23Å; F99-F132 AromaticContact CZ-CE1 3.23Å; F99-F132 HydrophobicContact CZ-CE1 3.23Å; F99-F132 AromaticContact CZ-CE2 3.94Å; F99-F132 HydrophobicContact CZ-CE2 3.94Å; F99-F132 AromaticContact CZ-CZ 3.02Å; F99-F132 HydrophobicContact CZ-CZ 3.02Å
100V91Very high92.8Very high69 Ų6977.4 Ų77.442%0.41838%0.383SS..THydrogen-bonded Turntrans-56-23.7-162.4-58.80000116.4D98 H120 M124D98-V100 PolarHBondContact O-N 3.48Å; V100-H120 PolarHBondContact O-CE1 3.43Å; V100-H120 PolarHBondContact O-NE2 3.24Å; V100-M124 HydrophobicContact CG2-CE 3.62Å
101I95.9Very high92.9Very high5 Ų570.5 Ų70.53%0.02636%0.359CS..THydrogen-bonded Turntrans-89.5-6.3177.765.5170.2000113.2F99 F114 L115 I116 H120 L129 F132F99-I101 HydrophobicContact CD2-CG1 4.21Å; F99-I101 HydrophobicContact CE2-CD1 3.89Å; F99-I101 HydrophobicContact CE2-CG1 3.49Å; F99-I101 VanDerWaalsContact CE2-CG1 3.49Å; F99-I101 HydrophobicContact CZ-CD1 4.03Å; F99-I101 HydrophobicContact CZ-CG1 3.74Å; F99-I101 PolarHBondContact O-N 3.29Å; I101-F114 HydrophobicContact CD1-CD1 4.21Å; I101-F114 HydrophobicContact CG1-CD1 4.08Å; I101-F114 CarbonylContact O-C 3.45Å; I101-F114 VanDerWaalsContact O-CA 3.25Å; I101-F114 WeakPolarHBondContact O-CA 3.37Å; I101-L115 PolarHBondContact O-N 3.08Å; I101-I116 HydrophobicContact CB-CG1 4.26Å; I101-I116 HydrophobicContact CG2-CG1 4.4Å; I101-H120 HydrophobicContact CG2-CB 4.31Å; I101-L129 HydrophobicContact CD1-CD2 4.17Å; I101-L129 HydrophobicContact CG2-CD2 3.98Å; I101-F132 HydrophobicContact CD1-CD1 3.76Å; I101-F132 HydrophobicContact CD1-CE1 4.05Å
102L96.4Very high93.1Very high10 Ų1065.3 Ų65.35%0.05234%0.337CS..BIsolated β-bridgetrans-82.6132.9-177.5-173.165.2000111.1M92 M93 A96 F99 I112 F114M92-L102 HydrophobicContact CB-CD2 3.96Å; M92-L102 WeakPolarHBondContact O-CD2 3.42Å; M93-L102 HydrophobicContact CB-CD2 4.49Å; M93-L102 HydrophobicContact CG-CD2 4.14Å; M93-L102 HydrophobicContact CG-CG 4.43Å; A96-L102 HydrophobicContact CB-CB 4.19Å; A96-L102 HydrophobicContact CB-CD2 4.35Å; A96-L102 HydrophobicContact CB-CG 4.36Å; F99-L102 HydrophobicContact CB-CB 4.38Å; F99-L102 HydrophobicContact CD1-CB 3.57Å; F99-L102 HydrophobicContact CD1-CD2 3.8Å; F99-L102 HydrophobicContact CD1-CG 4.15Å; F99-L102 HydrophobicContact CE1-CB 3.89Å; F99-L102 HydrophobicContact CE1-CD1 4.26Å; F99-L102 HydrophobicContact CE1-CD2 4.28Å; F99-L102 HydrophobicContact CE1-CG 4.36Å; F99-L102 HydrophobicContact CG-CB 4.1Å; F99-L102 VanDerWaalsContact O-CB 3.24Å; F99-L102 WeakPolarHBondContact O-CB 3.28Å; F99-L102 PolarHBondContact O-N 2.92Å; L102-I112 HydrophobicContact CD1-CD1 3.57Å; L102-I112 HydrophobicContact CD1-CG1 3.61Å; L102-F114 HydrophobicContact CD1-CD1 3.93Å; L102-F114 HydrophobicContact CD1-CE1 3.71Å
103R96.7Very high93.3Very high57 Ų5764 Ų6422%0.21533%0.33CS..  trans-81.7132.8174.6-162.4179.6-177-961.1109.8E37 K105 S113E37-R103 IonicContact OE1-CZ 2.99Å; E37-R103 IonicContact OE1-NE 2.66Å; E37-R103 PolarHBondContact OE1-NE 3.13Å; E37-R103 IonicContact OE1-NH2 3.59Å; E37-R103 IonicContact OE2-CZ 2.77Å; E37-R103 IonicContact OE2-NE 3.29Å; E37-R103 PolarHBondContact OE2-NE 3.38Å; E37-R103 IonicContact OE2-NH2 2.78Å; E37-R103 PolarHBondContact OE2-NH2 3.05Å; R103-K105 VanDerWaalsContact CD-O 3.26Å; R103-K105 WeakPolarHBondContact CD-O 3.3Å; R103-K105 VanDerWaalsContact CG-O 3.28Å; R103-K105 WeakPolarHBondContact CG-O 3.47Å; R103-K105 PolarHBondContact NH1-O 2.79Å; R103-K105 PolarHBondContact O-N 2.87Å; R103-K105 VanDerWaalsContact O-N 3.09Å; R103-S113 WeakPolarHBondContact CB-O 3.43Å; R103-S113 PolarHBondContact N-O 3.41Å
104R94.6Very high93.6Very high177 Ų17762.8 Ų62.867%0.66832%0.324SS*.SBendtrans-59.6-22.4-179-65.7-176.4179.5-140.1-7.4114.8A96 E97A96-R104 HydrophobicContact CB-CG 4.05Å; E97-R104 IonicContact OE1-CZ 3.73Å; E97-R104 IonicContact OE1-NH1 3.8Å; E97-R104 IonicContact OE1-NH2 3.79Å; E97-R104 PolarHBondContact OE1-NH2 2.96Å
105K95.6Very high94Very high150 Ų15059.4 Ų59.465%0.65230%0.302SS*.SBendtrans-138.1141177.5-171179.3-176.5-1790107.9R103R103-K105 VanDerWaalsContact CD-O 3.26Å; R103-K105 WeakPolarHBondContact CD-O 3.3Å; R103-K105 VanDerWaalsContact CG-O 3.28Å; R103-K105 WeakPolarHBondContact CG-O 3.47Å; R103-K105 PolarHBondContact NH1-O 2.79Å; R103-K105 PolarHBondContact O-N 2.87Å; R103-K105 VanDerWaalsContact O-N 3.09Å
106P97.2Very high94.4Very high31 Ų3154 Ų5420%0.20128%0.282CS..PPolyproline II helixtrans-75.1164.4174.832.6-32.4000110.8M93 Y110 S113M93-P106 VanDerWaalsContact SD-CD 3.55Å; M93-P106 HydrophobicContact SD-CG 4.4Å; P106-Y110 WeakPolarHBondContact CB-O 3.29Å; P106-S113 WeakPolarHBondContact CA-OG 3.24Å
107V97.4Very high94.9Very high17 Ų1754.3 Ų54.310%0.10328%0.282CS..PPolyproline II helixtrans-65139.8164.9172.90000108.9R69 S71 G109 Y110 S113R69-V107 HydrophobicContact CG-CG2 4.46Å; S71-V107 WeakPolarHBondContact OG-CG2 3.31Å; V107-G109 PolarHBondContact O-N 2.84Å; V107-Y110 HydrophobicContact CB-CD2 4.19Å; V107-Y110 HydrophobicContact CG1-CD2 4Å; V107-Y110 HydrophobicContact CG1-CE2 4.49Å; V107-Y110 WeakPolarHBondContact O-CB 3.18Å; V107-Y110 PolarHBondContact O-N 2.98Å; V107-S113 PolarHBondContact N-OG 2.9Å
108P97.1Very high95.7Very high120 Ų12047.6 Ų47.678%0.77925%0.251SS*.THydrogen-bonded Turntrans-52.4133.8176.5-27.335.6000112.4Y110P108-Y110 VanDerWaalsContact C-N 3.33Å
109G96Very high96.3Very high59 Ų5945.2 Ų45.261%0.60823%0.234SC*.THydrogen-bonded Turntrans82.16-17700000115.2R58 V107R58-G109 PolarHBondContact NH2-O 3.07Å; R58-G109 VanDerWaalsContact NH2-O 3.09Å; V107-G109 PolarHBondContact O-N 2.84Å
110Y97.7Very high96.8Very high27 Ų2744 Ų4411%0.10623%0.229CC..  trans-126.1158.4172.9-66.3-96.3000110.1R58 L60 S71 A73 P106 V107 P108R58-Y110 HydrophobicContact CG-CE1 4.12Å; R58-Y110 PolarHBondContact NE-OH 3.26Å; L60-Y110 HydrophobicContact CB-CE1 3.73Å; L60-Y110 HydrophobicContact CB-CE2 4.17Å; L60-Y110 VanDerWaalsContact CB-CZ 3.48Å; L60-Y110 WeakPolarHBondContact CB-OH 3.13Å; L60-Y110 HydrophobicContact CD2-CE2 3.91Å; S71-Y110 VanDerWaalsContact C-CD1 3.44Å; S71-Y110 VanDerWaalsContact O-CD1 3.29Å; S71-Y110 WeakPolarHBondContact O-CD1 3.43Å; S71-Y110 WeakPolarHBondContact O-CE1 3.45Å; A73-Y110 HydrophobicContact CB-CD1 4.01Å; A73-Y110 HydrophobicContact CB-CE1 4.33Å; P106-Y110 WeakPolarHBondContact CB-O 3.29Å; V107-Y110 HydrophobicContact CB-CD2 4.19Å; V107-Y110 HydrophobicContact CG1-CD2 4Å; V107-Y110 HydrophobicContact CG1-CE2 4.49Å; V107-Y110 WeakPolarHBondContact O-CB 3.18Å; V107-Y110 PolarHBondContact O-N 2.98Å; P108-Y110 VanDerWaalsContact C-N 3.33Å
111D97.3Very high97Very high37 Ų3742.3 Ų42.320%0.19822%0.219CC..SBendtrans-91.7-32.3-173.2-61.6-69.2000112.8I72 A73 I74 Q76 T89I72-D111 PolarHBondContact O-N 2.77Å; A73-D111 WeakPolarHBondContact CA-OD2 3.49Å; I74-D111 HydrophobicContact CD1-CB 3.83Å; I74-D111 HydrophobicContact CG1-CB 4.23Å; I74-D111 PolarHBondContact N-OD2 2.81Å; Q76-D111 PolarHBondContact NE2-OD1 3.09Å; T89-D111 HydrophobicContact CG2-CB 4.33Å; T89-D111 PolarHBondContact OG1-O 3.16Å
112I97.4Very high97Very high0 Ų047.3 Ų47.30%024%0.242CC..EExtended strand (participates in β ladder)trans-149.5149.8179.4-163171.6000110.5S71 I72 I74 T89 M92 L102 F136S71-I112 WeakPolarHBondContact CA-O 3.26Å; I72-I112 HydrophobicContact CB-CG2 3.96Å; I72-I112 HydrophobicContact CD1-CG2 4.29Å; I72-I112 PolarHBondContact N-O 2.85Å; I72-I112 PolarHBondContact O-N 2.99Å; I74-I112 HydrophobicContact CD1-CG2 4.42Å; T89-I112 HydrophobicContact CG2-CB 4.12Å; M92-I112 HydrophobicContact CE-CD1 3.58Å; L102-I112 HydrophobicContact CD1-CD1 3.57Å; L102-I112 HydrophobicContact CD1-CG1 3.61Å; I112-F136 HydrophobicContact CD1-CE1 4.27Å; I112-F136 HydrophobicContact CD1-CE2 4.28Å; I112-F136 HydrophobicContact CD1-CZ 3.56Å; I112-F136 HydrophobicContact CG2-CE1 3.88Å; I112-F136 HydrophobicContact CG2-CZ 4.11Å
113S98.1Very high96.9Very high0 Ų054.2 Ų54.20%027%0.274CS..EExtended strand (participates in β ladder)trans-134.5140.7174.8-60.70000111.7V70 S71 R103 P106 V107V70-S113 CarbonylContact O-C 3.49Å; V70-S113 WeakPolarHBondContact O-CA 3.25Å; S71-S113 WeakPolarHBondContact CB-OG 3.27Å; S71-S113 PolarHBondContact OG-OG 3.28Å; R103-S113 WeakPolarHBondContact CB-O 3.43Å; R103-S113 PolarHBondContact N-O 3.41Å; P106-S113 WeakPolarHBondContact CA-OG 3.24Å; V107-S113 PolarHBondContact N-OG 2.9Å
114F98.2Very high96.8Very high0 Ų055.2 Ų55.20%028%0.282CS..EExtended strand (participates in β ladder)trans-101.9144.2166.8-58.9-71.6000110R69 V70 I72 F99 I101 L102 F132 V133 F136R69-F114 CarbonylContact C-O 3.59Å; R69-F114 VanDerWaalsContact CA-O 3.31Å; R69-F114 WeakPolarHBondContact CA-O 3.37Å; V70-F114 HydrophobicContact CB-CB 4.29Å; V70-F114 HydrophobicContact CB-CD2 4.44Å; V70-F114 PolarHBondContact N-O 2.85Å; V70-F114 PolarHBondContact O-N 3.18Å; I72-F114 HydrophobicContact CD1-CD2 4.16Å; I72-F114 HydrophobicContact CD1-CE2 3.65Å; F99-F114 HydrophobicContact CE1-CD1 4.42Å; F99-F114 AromaticContact CE1-CE1 3.6Å; F99-F114 HydrophobicContact CE1-CE1 3.6Å; F99-F114 HydrophobicContact CE1-CZ 4.49Å; F99-F114 HydrophobicContact CZ-CD1 4.2Å; F99-F114 AromaticContact CZ-CE1 3.55Å; F99-F114 HydrophobicContact CZ-CE1 3.55Å; F99-F114 HydrophobicContact CZ-CZ 4.47Å; I101-F114 HydrophobicContact CD1-CD1 4.21Å; I101-F114 HydrophobicContact CG1-CD1 4.08Å; I101-F114 CarbonylContact O-C 3.45Å; I101-F114 VanDerWaalsContact O-CA 3.25Å; I101-F114 WeakPolarHBondContact O-CA 3.37Å; L102-F114 HydrophobicContact CD1-CD1 3.93Å; L102-F114 HydrophobicContact CD1-CE1 3.71Å; F114-F132 AromaticContact CE1-CE1 3.99Å; F114-F132 HydrophobicContact CE1-CE1 3.99Å; F114-F132 HydrophobicContact CZ-CE1 4.05Å; F114-V133 HydrophobicContact CD2-CG1 4.49Å; F114-V133 HydrophobicContact CD2-CG2 4.25Å; F114-F136 AromaticContact CE2-CD1 3.84Å; F114-F136 HydrophobicContact CE2-CD1 3.84Å; F114-F136 HydrophobicContact CE2-CE1 4.03Å; F114-F136 HydrophobicContact CE2-CG 4.38Å; F114-F136 AromaticContact CZ-CD1 3.75Å; F114-F136 HydrophobicContact CZ-CD1 3.75Å; F114-F136 HydrophobicContact CZ-CD2 4.23Å; F114-F136 AromaticContact CZ-CE1 3.87Å; F114-F136 HydrophobicContact CZ-CE1 3.87Å; F114-F136 HydrophobicContact CZ-CE2 4.33Å; F114-F136 AromaticContact CZ-CG 3.93Å; F114-F136 HydrophobicContact CZ-CG 3.93Å; F114-F136 HydrophobicContact CZ-CZ 4.15Å
115L98.1Very high96.9Very high32 Ų3250 Ų5017%0.16827%0.273CS..EExtended strand (participates in β ladder)trans-122.9106.2171.2178.864.1000108.3P34 I36 E37 I101 T117 H120P34-L115 HydrophobicContact CB-CD1 4.25Å; P34-L115 HydrophobicContact CB-CD2 4.43Å; P34-L115 HydrophobicContact CG-CD2 4.16Å; I36-L115 HydrophobicContact CG2-CD1 3.67Å; E37-L115 HydrophobicContact CG-CD1 4.02Å; E37-L115 HydrophobicContact CG-CD2 3.83Å; I101-L115 PolarHBondContact O-N 3.08Å; L115-T117 HydrophobicContact CG-CG2 4.38Å; L115-H120 PolarHBondContact O-CE1 2.79Å; L115-H120 PolarHBondContact O-ND1 2.99Å
116I98.1Very high96.9Very high0 Ų046.5 Ų46.50%026%0.258CS..EExtended strand (participates in β ladder)trans-104.4121-179.5-56.2169.9000107.9L18 S67 V68 I101 H120 T121 L129 V133L18-I116 HydrophobicContact CD1-CD1 4.2Å; L18-I116 HydrophobicContact CD2-CB 3.8Å; L18-I116 HydrophobicContact CD2-CD1 3.9Å; L18-I116 HydrophobicContact CD2-CG1 4.46Å; L18-I116 HydrophobicContact CD2-CG2 3.53Å; S67-I116 CarbonylContact C-O 3.53Å; S67-I116 WeakPolarHBondContact CA-O 3.38Å; V68-I116 PolarHBondContact N-O 3.49Å; V68-I116 PolarHBondContact O-N 3.03Å; I101-I116 HydrophobicContact CB-CG1 4.26Å; I101-I116 HydrophobicContact CG2-CG1 4.4Å; I116-H120 HydrophobicContact CG2-CB 4.14Å; I116-T121 HydrophobicContact CG2-CG2 4.19Å; I116-L129 HydrophobicContact CG2-CD1 4.01Å; I116-V133 HydrophobicContact CD1-CG2 4.47Å
117T98Very high96.9Very high16 Ų1647.4 Ų47.410%0.09827%0.268CS..EExtended strand (participates in β ladder)trans-107.1169.2-17964.80000110.6P34 N66 L115 F119 H120 T121P34-T117 HydrophobicContact CB-CG2 4.18Å; N66-T117 CarbonylContact O-C 3.6Å; N66-T117 WeakPolarHBondContact O-CA 3.45Å; L115-T117 HydrophobicContact CG-CG2 4.38Å; T117-F119 PolarHBondContact O-N 3.44Å; T117-F119 PolarHBondContact OG1-N 3.02Å; T117-H120 PolarHBondContact N-ND1 2.85Å; T117-H120 VanDerWaalsContact N-ND1 3.16Å; T117-H120 WeakPolarHBondContact O-CB 3.25Å; T117-H120 PolarHBondContact O-N 2.96Å; T117-H120 VanDerWaalsContact O-N 3.09Å; T117-H120 PolarHBondContact OG1-ND1 3.43Å; T117-T121 PolarHBondContact O-N 3.27Å
118N97.5Very high97Very high1 Ų153.5 Ų53.51%0.00529%0.293CS..Hα-helixtrans-55.5-37.5172.268.8-73.6000112V20 N22 N66 H120 T121 E122V20-N118 HydrophobicContact CG2-CB 4.41Å; N22-N118 WeakPolarHBondContact CA-ND2 3.21Å; N22-N118 WeakPolarHBondContact CB-ND2 3.49Å; N66-N118 PolarHBondContact O-N 3.34Å; N118-H120 VanDerWaalsContact C-N 3.27Å; N118-H120 PolarHBondContact O-N 3.39Å; N118-T121 WeakPolarHBondContact CA-OG1 3.31Å; N118-T121 PolarHBondContact O-N 3.39Å; N118-T121 VanDerWaalsContact O-N 3.11Å; N118-T121 PolarHBondContact O-OG1 2.78Å; N118-E122 PolarHBondContact ND2-OE1 3.34Å; N118-E122 WeakPolarHBondContact O-CB 3.42Å; N118-E122 VanDerWaalsContact O-CG 3.24Å; N118-E122 WeakPolarHBondContact O-CG 3.49Å; N118-E122 PolarHBondContact O-N 2.8Å
119F97Very high97Very high89 Ų8948.1 Ų48.139%0.3926%0.258SS..Hα-helixtrans-59.3-38.9177.1-62.7-69000112.1T117 E122 Q123T117-F119 PolarHBondContact O-N 3.44Å; T117-F119 PolarHBondContact OG1-N 3.02Å; F119-E122 PolarHBondContact O-N 2.84Å; F119-Q123 WeakPolarHBondContact O-CG 3.42Å; F119-Q123 PolarHBondContact O-N 3.21Å; F119-Q123 VanDerWaalsContact O-N 3.14Å
120H97Very high97.1Very high26 Ų2645.3 Ų45.312%0.1223%0.229CC..Hα-helixtrans-66.9-42.2176.3-56.5151.3000111.4V100 I101 L115 I116 T117 N118 E122 Q123 M124 L129V100-H120 PolarHBondContact O-CE1 3.43Å; V100-H120 PolarHBondContact O-NE2 3.24Å; I101-H120 HydrophobicContact CG2-CB 4.31Å; L115-H120 PolarHBondContact O-CE1 2.79Å; L115-H120 PolarHBondContact O-ND1 2.99Å; I116-H120 HydrophobicContact CG2-CB 4.14Å; T117-H120 PolarHBondContact N-ND1 2.85Å; T117-H120 VanDerWaalsContact N-ND1 3.16Å; T117-H120 WeakPolarHBondContact O-CB 3.25Å; T117-H120 PolarHBondContact O-N 2.96Å; T117-H120 VanDerWaalsContact O-N 3.09Å; T117-H120 PolarHBondContact OG1-ND1 3.43Å; N118-H120 VanDerWaalsContact C-N 3.27Å; N118-H120 PolarHBondContact O-N 3.39Å; H120-E122 VanDerWaalsContact C-N 3.29Å; H120-E122 PolarHBondContact O-N 2.98Å; H120-Q123 PolarHBondContact O-N 3.39Å; H120-M124 WeakPolarHBondContact O-CA 3.27Å; H120-M124 VanDerWaalsContact O-CB 3.25Å; H120-M124 WeakPolarHBondContact O-CB 3.42Å; H120-M124 PolarHBondContact O-N 2.97Å; H120-L129 HydrophobicContact CB-CD1 4.45Å
121T95.9Very high97.1Very high34 Ų3446.6 Ų46.621%0.20924%0.237CC..Hα-helixtrans-73.9-19.6178.853.90000113.8V20 I116 T117 N118 M124 L129V20-T121 HydrophobicContact CG2-CG2 3.74Å; V20-T121 WeakPolarHBondContact CG2-OG1 3.48Å; I116-T121 HydrophobicContact CG2-CG2 4.19Å; T117-T121 PolarHBondContact O-N 3.27Å; N118-T121 WeakPolarHBondContact CA-OG1 3.31Å; N118-T121 PolarHBondContact O-N 3.39Å; N118-T121 VanDerWaalsContact O-N 3.11Å; N118-T121 PolarHBondContact O-OG1 2.78Å; T121-M124 CarbonylContact C-O 3.48Å; T121-M124 VanDerWaalsContact O-O 3.1Å; T121-L129 HydrophobicContact CG2-CD1 3.99Å
122E95.6Very high97.1Very high111 Ų11148.4 Ų48.452%0.51924%0.244SC..Hα-helixtrans-77.7-35.2172.2-74.4163.6-155.500111.6N118 F119 H120N118-E122 PolarHBondContact ND2-OE1 3.34Å; N118-E122 WeakPolarHBondContact O-CB 3.42Å; N118-E122 VanDerWaalsContact O-CG 3.24Å; N118-E122 WeakPolarHBondContact O-CG 3.49Å; N118-E122 PolarHBondContact O-N 2.8Å; F119-E122 PolarHBondContact O-N 2.84Å; H120-E122 VanDerWaalsContact C-N 3.29Å; H120-E122 PolarHBondContact O-N 2.98Å
123Q95Very high97.1Very high154 Ų15448.5 Ų48.572%0.7224%0.244SC*.Hα-helixtrans-92.4-25.1-178.8-66.4177.1-2.600113.7F119 H120F119-Q123 WeakPolarHBondContact O-CG 3.42Å; F119-Q123 PolarHBondContact O-N 3.21Å; F119-Q123 VanDerWaalsContact O-N 3.14Å; H120-Q123 PolarHBondContact O-N 3.39Å
124M95.2Very high97Very high78 Ų7849 Ų4938%0.38425%0.247SC..SBendtrans-128.4147.6-174-52.7-178.5-176.100110.8V100 H120 T121 K126 L129V100-M124 HydrophobicContact CG2-CE 3.62Å; H120-M124 WeakPolarHBondContact O-CA 3.27Å; H120-M124 VanDerWaalsContact O-CB 3.25Å; H120-M124 WeakPolarHBondContact O-CB 3.42Å; H120-M124 PolarHBondContact O-N 2.97Å; T121-M124 CarbonylContact C-O 3.48Å; T121-M124 VanDerWaalsContact O-O 3.1Å; M124-K126 PolarHBondContact O-N 3.22Å; M124-L129 HydrophobicContact CB-CD1 4.31Å; M124-L129 HydrophobicContact CB-CD2 4.46Å; M124-L129 HydrophobicContact CB-CG 4.29Å; M124-L129 HydrophobicContact SD-CD2 4.03Å
125S96.1Very high97Very high67 Ų6752.1 Ų52.147%0.46927%0.266SS..  trans-63125.2175.9172.70000111.3A127 K128 L129S125-A127 PolarHBondContact O-N 3.48Å; S125-A127 PolarHBondContact OG-N 3.09Å; S125-K128 WeakPolarHBondContact O-CB 3.41Å; S125-K128 PolarHBondContact O-N 3.12Å; S125-L129 PolarHBondContact O-N 2.88Å
126K96.2Very high96.9Very high77 Ų7751.6 Ų51.634%0.33526%0.262SS..Hα-helixtrans-49.2-45.2172-175.5-174.579.6167.40111.9N15 L18 M124 K128 L129 V130N15-K126 PolarHBondContact O-NZ 3.27Å; N15-K126 VanDerWaalsContact O-NZ 3.1Å; L18-K126 HydrophobicContact CB-CD 3.89Å; L18-K126 HydrophobicContact CB-CG 3.87Å; L18-K126 HydrophobicContact CD1-CG 4.41Å; L18-K126 WeakPolarHBondContact O-CD 3.3Å; M124-K126 PolarHBondContact O-N 3.22Å; K126-K128 VanDerWaalsContact C-N 3.29Å; K126-K128 PolarHBondContact O-N 3.4Å; K126-L129 PolarHBondContact O-N 3.17Å; K126-V130 WeakPolarHBondContact O-CG2 3.36Å; K126-V130 PolarHBondContact O-N 2.85Å
127A97.3Very high96.8Very high50 Ų5052.1 Ų52.141%0.41327%0.265SS..Hα-helixtrans-61.5-40.7-179.400000111.4S125 V130 D131S125-A127 PolarHBondContact O-N 3.48Å; S125-A127 PolarHBondContact OG-N 3.09Å; A127-V130 PolarHBondContact O-N 2.77Å; A127-D131 WeakPolarHBondContact O-CB 3.29Å; A127-D131 VanDerWaalsContact O-CG 3.29Å; A127-D131 PolarHBondContact O-N 2.85Å
128K97.5Very high96.7Very high145 Ų14553.8 Ų53.863%0.6327%0.273SS*.Hα-helixtrans-68.9-35.3176.7-67.4-63.5-173-177.90113S125 K126 D131 F132S125-K128 WeakPolarHBondContact O-CB 3.41Å; S125-K128 PolarHBondContact O-N 3.12Å; K126-K128 VanDerWaalsContact C-N 3.29Å; K126-K128 PolarHBondContact O-N 3.4Å; K128-D131 PolarHBondContact O-N 3.33Å; K128-F132 VanDerWaalsContact O-CB 3.27Å; K128-F132 WeakPolarHBondContact O-CB 3.47Å; K128-F132 PolarHBondContact O-N 2.81Å
129L97.2Very high96.6Very high8 Ų859 Ų594%0.04230%0.298CS..Hα-helixtrans-64.2-43.6172.8-71.1169.8000111.5I101 I116 H120 T121 M124 S125 K126 F132 V133I101-L129 HydrophobicContact CD1-CD2 4.17Å; I101-L129 HydrophobicContact CG2-CD2 3.98Å; I116-L129 HydrophobicContact CG2-CD1 4.01Å; H120-L129 HydrophobicContact CB-CD1 4.45Å; T121-L129 HydrophobicContact CG2-CD1 3.99Å; M124-L129 HydrophobicContact CB-CD1 4.31Å; M124-L129 HydrophobicContact CB-CD2 4.46Å; M124-L129 HydrophobicContact CB-CG 4.29Å; M124-L129 HydrophobicContact SD-CD2 4.03Å; S125-L129 PolarHBondContact O-N 2.88Å; K126-L129 PolarHBondContact O-N 3.17Å; L129-F132 PolarHBondContact O-N 2.98Å; L129-V133 WeakPolarHBondContact O-CG2 3.41Å; L129-V133 PolarHBondContact O-N 3.23Å; L129-V133 VanDerWaalsContact O-N 3.12Å
130V98.1Very high96.4Very high0 Ų055.1 Ų55.10%028%0.281CS..Hα-helixtrans-62.8-48.7174.6175.50000110.5R11 L14 L18 K126 A127 F132 V133 I134R11-V130 HydrophobicContact CG-CG1 3.96Å; L14-V130 HydrophobicContact CB-CG1 4.29Å; L14-V130 HydrophobicContact CB-CG2 4.13Å; L18-V130 HydrophobicContact CD1-CG2 3.62Å; K126-V130 WeakPolarHBondContact O-CG2 3.36Å; K126-V130 PolarHBondContact O-N 2.85Å; A127-V130 PolarHBondContact O-N 2.77Å; V130-F132 VanDerWaalsContact C-N 3.28Å; V130-F132 PolarHBondContact O-N 3.38Å; V130-V133 PolarHBondContact O-N 3.03Å; V130-I134 HydrophobicContact CG1-CG1 4.3Å; V130-I134 VanDerWaalsContact O-CG1 3.31Å; V130-I134 WeakPolarHBondContact O-CG1 3.25Å; V130-I134 PolarHBondContact O-N 3.21Å
131D97.9Very high96.1Very high53 Ų5355.7 Ų55.728%0.28329%0.285SS..Hα-helixtrans-55.5-46.3177.4-76.2-25000111.3R11 A127 K128 V133 I134 T135R11-D131 IonicContact CZ-OD1 3.83Å; R11-D131 VanDerWaalsContact CZ-OD1 3.29Å; R11-D131 IonicContact NH1-OD1 3.2Å; R11-D131 PolarHBondContact NH1-OD1 3.01Å; R11-D131 IonicContact NH2-OD1 2.63Å; R11-D131 PolarHBondContact NH2-OD1 3Å; A127-D131 WeakPolarHBondContact O-CB 3.29Å; A127-D131 VanDerWaalsContact O-CG 3.29Å; A127-D131 PolarHBondContact O-N 2.85Å; K128-D131 PolarHBondContact O-N 3.33Å; D131-V133 PolarHBondContact O-N 3.43Å; D131-I134 PolarHBondContact O-N 3.12Å; D131-T135 WeakPolarHBondContact O-CB 3.28Å; D131-T135 PolarHBondContact O-N 3.4Å; D131-T135 PolarHBondContact O-OG1 3.36Å; D131-T135 VanDerWaalsContact O-OG1 3.07Å
132F96.9Very high95.9Very high76 Ų7659.3 Ų59.333%0.33330%0.297SS..Hα-helixtrans-55.4-50.7177.3173.3-83.4000111.9F99 I101 F114 K128 L129 V130 I134 T135 F136F99-F132 HydrophobicContact CE1-CE1 4.24Å; F99-F132 AromaticContact CE1-CZ 3.86Å; F99-F132 HydrophobicContact CE1-CZ 3.86Å; F99-F132 HydrophobicContact CE2-CD1 4.48Å; F99-F132 AromaticContact CE2-CE1 3.81Å; F99-F132 HydrophobicContact CE2-CE1 3.81Å; F99-F132 AromaticContact CE2-CE2 3.95Å; F99-F132 HydrophobicContact CE2-CE2 3.95Å; F99-F132 AromaticContact CE2-CZ 3.49Å; F99-F132 HydrophobicContact CE2-CZ 3.49Å; F99-F132 VanDerWaalsContact CE2-CZ 3.49Å; F99-F132 HydrophobicContact CZ-CD1 4.23Å; F99-F132 AromaticContact CZ-CE1 3.23Å; F99-F132 HydrophobicContact CZ-CE1 3.23Å; F99-F132 AromaticContact CZ-CE2 3.94Å; F99-F132 HydrophobicContact CZ-CE2 3.94Å; F99-F132 AromaticContact CZ-CZ 3.02Å; F99-F132 HydrophobicContact CZ-CZ 3.02Å; I101-F132 HydrophobicContact CD1-CD1 3.76Å; I101-F132 HydrophobicContact CD1-CE1 4.05Å; F114-F132 AromaticContact CE1-CE1 3.99Å; F114-F132 HydrophobicContact CE1-CE1 3.99Å; F114-F132 HydrophobicContact CZ-CE1 4.05Å; K128-F132 VanDerWaalsContact O-CB 3.27Å; K128-F132 WeakPolarHBondContact O-CB 3.47Å; K128-F132 PolarHBondContact O-N 2.81Å; L129-F132 PolarHBondContact O-N 2.98Å; V130-F132 VanDerWaalsContact C-N 3.28Å; V130-F132 PolarHBondContact O-N 3.38Å; F132-I134 VanDerWaalsContact C-N 3.3Å; F132-I134 PolarHBondContact O-N 3.07Å; F132-T135 PolarHBondContact O-N 3.4Å; F132-F136 HydrophobicContact CE1-CB 4.19Å; F132-F136 HydrophobicContact CZ-CB 4.35Å; F132-F136 HydrophobicContact CZ-CD2 4.49Å; F132-F136 VanDerWaalsContact O-CB 3.31Å; F132-F136 WeakPolarHBondContact O-CB 3.31Å; F132-F136 PolarHBondContact O-N 3.45Å
133V97.3Very high95.9Very high1 Ų157.9 Ų57.91%0.00629%0.291CS..Hα-helixtrans-63.2-39.3-178.7174.50000110.9L14 V70 F114 I116 L129 V130 D131 M137L14-V133 HydrophobicContact CD1-CB 4.03Å; L14-V133 HydrophobicContact CD1-CG1 3.69Å; V70-V133 HydrophobicContact CG1-CG1 4.29Å; F114-V133 HydrophobicContact CD2-CG1 4.49Å; F114-V133 HydrophobicContact CD2-CG2 4.25Å; I116-V133 HydrophobicContact CD1-CG2 4.47Å; L129-V133 WeakPolarHBondContact O-CG2 3.41Å; L129-V133 PolarHBondContact O-N 3.23Å; L129-V133 VanDerWaalsContact O-N 3.12Å; V130-V133 PolarHBondContact O-N 3.03Å; D131-V133 PolarHBondContact O-N 3.43Å; V133-M137 HydrophobicContact CG1-SD 4.27Å; V133-M137 VanDerWaalsContact O-CG 3.29Å; V133-M137 WeakPolarHBondContact O-CG 3.41Å; V133-M137 PolarHBondContact O-N 3.49Å
134I97.9Very high95.9Very high12 Ų1250.7 Ų50.76%0.06226%0.257CS..Hα-helixtrans-69-43178.6-62.7-60000111.6L7 V10 R11 L14 V130 D131 F132 M137 D138L7-I134 HydrophobicContact CB-CG2 4.36Å; V10-I134 HydrophobicContact CB-CD1 4.1Å; V10-I134 HydrophobicContact CG1-CD1 3.86Å; R11-I134 HydrophobicContact CB-CD1 3.87Å; R11-I134 HydrophobicContact CB-CG1 3.98Å; R11-I134 HydrophobicContact CG-CG1 4.47Å; L14-I134 HydrophobicContact CD1-CD1 4.35Å; V130-I134 HydrophobicContact CG1-CG1 4.3Å; V130-I134 VanDerWaalsContact O-CG1 3.31Å; V130-I134 WeakPolarHBondContact O-CG1 3.25Å; V130-I134 PolarHBondContact O-N 3.21Å; D131-I134 PolarHBondContact O-N 3.12Å; F132-I134 VanDerWaalsContact C-N 3.3Å; F132-I134 PolarHBondContact O-N 3.07Å; I134-M137 PolarHBondContact O-N 3.41Å; I134-D138 PolarHBondContact O-N 2.84Å
135T97Very high95.7Very high64 Ų6449.7 Ų49.739%0.39326%0.258SS..Hα-helixtrans-61.1-47174.8-64.30000110.6D131 F132 M137 D138 E139D131-T135 WeakPolarHBondContact O-CB 3.28Å; D131-T135 PolarHBondContact O-N 3.4Å; D131-T135 PolarHBondContact O-OG1 3.36Å; D131-T135 VanDerWaalsContact O-OG1 3.07Å; F132-T135 PolarHBondContact O-N 3.4Å; T135-M137 VanDerWaalsContact C-N 3.27Å; T135-M137 PolarHBondContact O-N 3.27Å; T135-D138 PolarHBondContact O-N 3.49Å; T135-E139 HydrophobicContact CG2-CG 4.2Å; T135-E139 WeakPolarHBondContact CG2-OE1 3.11Å; T135-E139 WeakPolarHBondContact O-CB 3.27Å; T135-E139 WeakPolarHBondContact O-CG 3.42Å; T135-E139 PolarHBondContact O-N 3.31Å
136F96.4Very high95.7Very high22 Ų2252.1 Ų52.110%0.09626%0.262CS..Hα-helixtrans-54.2-45175.2176.3-91.7000111.8I72 M92 I112 F114 F132 E139 I140I72-F136 HydrophobicContact CD1-CD1 3.96Å; I72-F136 HydrophobicContact CD1-CE1 3.97Å; M92-F136 HydrophobicContact CE-CE2 3.66Å; M92-F136 HydrophobicContact CE-CZ 3.7Å; M92-F136 HydrophobicContact SD-CE2 3.63Å; M92-F136 HydrophobicContact SD-CZ 4.28Å; I112-F136 HydrophobicContact CD1-CE1 4.27Å; I112-F136 HydrophobicContact CD1-CE2 4.28Å; I112-F136 HydrophobicContact CD1-CZ 3.56Å; I112-F136 HydrophobicContact CG2-CE1 3.88Å; I112-F136 HydrophobicContact CG2-CZ 4.11Å; F114-F136 AromaticContact CE2-CD1 3.84Å; F114-F136 HydrophobicContact CE2-CD1 3.84Å; F114-F136 HydrophobicContact CE2-CE1 4.03Å; F114-F136 HydrophobicContact CE2-CG 4.38Å; F114-F136 AromaticContact CZ-CD1 3.75Å; F114-F136 HydrophobicContact CZ-CD1 3.75Å; F114-F136 HydrophobicContact CZ-CD2 4.23Å; F114-F136 AromaticContact CZ-CE1 3.87Å; F114-F136 HydrophobicContact CZ-CE1 3.87Å; F114-F136 HydrophobicContact CZ-CE2 4.33Å; F114-F136 AromaticContact CZ-CG 3.93Å; F114-F136 HydrophobicContact CZ-CG 3.93Å; F114-F136 HydrophobicContact CZ-CZ 4.15Å; F132-F136 HydrophobicContact CE1-CB 4.19Å; F132-F136 HydrophobicContact CZ-CB 4.35Å; F132-F136 HydrophobicContact CZ-CD2 4.49Å; F132-F136 VanDerWaalsContact O-CB 3.31Å; F132-F136 WeakPolarHBondContact O-CB 3.31Å; F132-F136 PolarHBondContact O-N 3.45Å; F136-E139 PolarHBondContact O-N 3.28Å; F136-I140 HydrophobicContact CE1-CD1 3.69Å; F136-I140 HydrophobicContact CE2-CD1 4Å; F136-I140 HydrophobicContact CZ-CD1 3.31Å; F136-I140 WeakPolarHBondContact O-CB 3.18Å; F136-I140 PolarHBondContact O-N 3.2Å
137M96.4Very high95.7Very high10 Ų1050.6 Ų50.65%0.04926%0.256CS..Hα-helixtrans-67.8-32.5177.1-73.2178.264.800114Y6 L7 V10 V59 I72 V133 I134 T135Y6-M137 HydrophobicContact CE1-CE 3.58Å; L7-M137 HydrophobicContact CD2-CB 3.82Å; L7-M137 HydrophobicContact CD2-CE 3.89Å; V10-M137 HydrophobicContact CG1-CE 4.33Å; V10-M137 HydrophobicContact CG1-SD 3.9Å; V10-M137 HydrophobicContact CG2-CE 4.17Å; V59-M137 HydrophobicContact CG2-CE 3.27Å; V59-M137 HydrophobicContact CG2-SD 3.82Å; I72-M137 HydrophobicContact CD1-CG 3.68Å; I72-M137 HydrophobicContact CD1-SD 4.16Å; I72-M137 HydrophobicContact CG1-CG 4.43Å; I72-M137 HydrophobicContact CG1-SD 4.47Å; V133-M137 HydrophobicContact CG1-SD 4.27Å; V133-M137 VanDerWaalsContact O-CG 3.29Å; V133-M137 WeakPolarHBondContact O-CG 3.41Å; V133-M137 PolarHBondContact O-N 3.49Å; I134-M137 PolarHBondContact O-N 3.41Å; T135-M137 VanDerWaalsContact C-N 3.27Å; T135-M137 PolarHBondContact O-N 3.27Å
138D94.9Very high95.6Very high51 Ų5151.9 Ų51.927%0.27325%0.25SS..Hα-helixtrans-76.2-31.5177.3-17067.3000112.5L7 I134 T135 K142L7-D138 HydrophobicContact CD1-CB 3.97Å; I134-D138 PolarHBondContact O-N 2.84Å; T135-D138 PolarHBondContact O-N 3.49Å; D138-K142 IonicContact OD2-NZ 3.47Å; D138-K142 PolarHBondContact OD2-NZ 3.02Å
139E95.3Very high95.6Very high112 Ų11250.7 Ų50.752%0.52325%0.25SS..Hα-helixtrans-88.9-29.5-175.3-69.6-178.9174.100113.2T135 F136 D141 K142 E143T135-E139 HydrophobicContact CG2-CG 4.2Å; T135-E139 WeakPolarHBondContact CG2-OE1 3.11Å; T135-E139 WeakPolarHBondContact O-CB 3.27Å; T135-E139 WeakPolarHBondContact O-CG 3.42Å; T135-E139 PolarHBondContact O-N 3.31Å; F136-E139 PolarHBondContact O-N 3.28Å; E139-D141 VanDerWaalsContact C-N 3.31Å; E139-D141 PolarHBondContact O-N 2.96Å; E139-K142 WeakPolarHBondContact O-CA 3.31Å; E139-K142 WeakPolarHBondContact O-CB 3.48Å; E139-K142 PolarHBondContact O-N 3.01Å; E139-E143 PolarHBondContact O-N 3.33Å
140I94.4Very high95.6Very high7 Ų753.2 Ų53.24%0.03627%0.272CS..Hα-helixtrans-61.8-35.7-172.7-165.3145.8000114.1I74 F88 M92 F136 K142 I144I74-I140 HydrophobicContact CD1-CD1 3.35Å; I74-I140 HydrophobicContact CD1-CG1 3.96Å; I74-I140 HydrophobicContact CG1-CD1 4.25Å; I74-I140 HydrophobicContact CG1-CG2 4.46Å; I74-I140 HydrophobicContact CG2-CG1 4.42Å; I74-I140 HydrophobicContact CG2-CG2 4.34Å; F88-I140 HydrophobicContact CD1-CD1 4.05Å; F88-I140 HydrophobicContact CD1-CG1 4.33Å; F88-I140 HydrophobicContact CE1-CD1 3.7Å; F88-I140 HydrophobicContact CE1-CG1 3.98Å; M92-I140 HydrophobicContact CE-CD1 4.36Å; F136-I140 HydrophobicContact CE1-CD1 3.69Å; F136-I140 HydrophobicContact CE2-CD1 4Å; F136-I140 HydrophobicContact CZ-CD1 3.31Å; F136-I140 WeakPolarHBondContact O-CB 3.18Å; F136-I140 PolarHBondContact O-N 3.2Å; I140-K142 VanDerWaalsContact C-N 3.31Å; I140-K142 PolarHBondContact O-N 3.28Å; I140-I144 HydrophobicContact CG1-CD1 4.07Å; I140-I144 WeakPolarHBondContact O-CG1 3.41Å; I140-I144 PolarHBondContact O-N 3.45Å
141D89.1Confident95.5Very high38 Ų3856.5 Ų56.520%0.20329%0.292CS..Hα-helixtrans-65.7-37.3175.7-80-6.5000111.4R53 E139 S145R53-D141 IonicContact NH1-OD2 2.72Å; E139-D141 VanDerWaalsContact C-N 3.31Å; E139-D141 PolarHBondContact O-N 2.96Å; D141-S145 WeakPolarHBondContact O-CB 3.47Å; D141-S145 PolarHBondContact O-N 3.3Å; D141-S145 VanDerWaalsContact O-N 3.13Å; D141-S145 PolarHBondContact O-OG 2.86Å
142K92.2Very high95.4Very high109 Ų10957.2 Ų57.247%0.47430%0.296SS..Hα-helixtrans-69.7-47.6178.1-63.2169.4-176.3152.40109.9D138 E139 I140 I144 S145 E146D138-K142 IonicContact OD2-NZ 3.47Å; D138-K142 PolarHBondContact OD2-NZ 3.02Å; E139-K142 WeakPolarHBondContact O-CA 3.31Å; E139-K142 WeakPolarHBondContact O-CB 3.48Å; E139-K142 PolarHBondContact O-N 3.01Å; I140-K142 VanDerWaalsContact C-N 3.31Å; I140-K142 PolarHBondContact O-N 3.28Å; K142-I144 VanDerWaalsContact C-N 3.35Å; K142-I144 PolarHBondContact O-N 3Å; K142-S145 CarbonylContact O-C 3.45Å; K142-S145 WeakPolarHBondContact O-CA 3.34Å; K142-S145 WeakPolarHBondContact O-CB 3.5Å; K142-S145 PolarHBondContact O-N 3.34Å; K142-S145 VanDerWaalsContact O-N 3.07Å; K142-E146 WeakPolarHBondContact O-CG 3.29Å; K142-E146 PolarHBondContact O-N 2.99Å
143E95.4Very high95.5Very high82 Ų8255.6 Ų55.638%0.38329%0.294SS..Hα-helixtrans-57.8-45.3178.5-171.463.1-152.100111.7F88 E139 S145 E146 M147F88-E143 HydrophobicContact CE2-CG 3.97Å; F88-E143 HydrophobicContact CZ-CG 3.95Å; E139-E143 PolarHBondContact O-N 3.33Å; E143-S145 VanDerWaalsContact C-N 3.33Å; E143-S145 PolarHBondContact O-N 3.01Å; E143-E146 PolarHBondContact O-N 2.99Å; E143-M147 HydrophobicContact CG-CE 4.16Å; E143-M147 WeakPolarHBondContact O-CG 3.42Å; E143-M147 PolarHBondContact O-N 3.24Å
144I94.5Very high95.5Very high3 Ų363.1 Ų63.12%0.01532%0.322CS..Hα-helixtrans-63.7-40.6176.4-69.1167.5000111.3I74 E81 C85 I140 K142 M147 R148I74-I144 HydrophobicContact CG2-CD1 3.61Å; E81-I144 HydrophobicContact CB-CG2 4.21Å; E81-I144 HydrophobicContact CG-CG2 3.99Å; C85-I144 HydrophobicContact CB-CD1 3.79Å; I140-I144 HydrophobicContact CG1-CD1 4.07Å; I140-I144 WeakPolarHBondContact O-CG1 3.41Å; I140-I144 PolarHBondContact O-N 3.45Å; K142-I144 VanDerWaalsContact C-N 3.35Å; K142-I144 PolarHBondContact O-N 3Å; I144-M147 HydrophobicContact CB-CE 4.43Å; I144-M147 HydrophobicContact CG1-CE 3.97Å; I144-M147 PolarHBondContact O-N 2.93Å; I144-R148 WeakPolarHBondContact O-CB 3.46Å; I144-R148 PolarHBondContact O-N 3.35Å
145S92.5Very high95.5Very high56 Ų5665.2 Ų65.239%0.39234%0.342SS..Hα-helixtrans-65.1-41.7177.6-600000111.7D141 K142 E143 R148 L149D141-S145 WeakPolarHBondContact O-CB 3.47Å; D141-S145 PolarHBondContact O-N 3.3Å; D141-S145 VanDerWaalsContact O-N 3.13Å; D141-S145 PolarHBondContact O-OG 2.86Å; K142-S145 CarbonylContact O-C 3.45Å; K142-S145 WeakPolarHBondContact O-CA 3.34Å; K142-S145 WeakPolarHBondContact O-CB 3.5Å; K142-S145 PolarHBondContact O-N 3.34Å; K142-S145 VanDerWaalsContact O-N 3.07Å; E143-S145 VanDerWaalsContact C-N 3.33Å; E143-S145 PolarHBondContact O-N 3.01Å; S145-R148 WeakPolarHBondContact O-CB 3.26Å; S145-R148 PolarHBondContact O-N 3.45Å; S145-L149 WeakPolarHBondContact O-CG 3.45Å; S145-L149 PolarHBondContact O-N 3.36Å
146E96Very high95.5Very high118 Ų11869.9 Ų69.955%0.55135%0.352SS*.Hα-helixtrans-64.8-45.6176.5-73.7178.7-165.200111.6K142 E143 R148 L149 A150K142-E146 WeakPolarHBondContact O-CG 3.29Å; K142-E146 PolarHBondContact O-N 2.99Å; E143-E146 PolarHBondContact O-N 2.99Å; E146-R148 VanDerWaalsContact C-N 3.28Å; E146-R148 PolarHBondContact O-N 2.83Å; E146-L149 PolarHBondContact O-N 3.42Å; E146-A150 WeakPolarHBondContact O-CB 3.12Å; E146-A150 PolarHBondContact O-N 3.36Å
147M96.3Very high95.6Very high45 Ų4573.2 Ų73.222%0.22237%0.368CS..Hα-helixtrans-57.7-41.5173.4-76.1-171.8-7200111.9L84 F88 E143 I144 A150 V151L84-M147 HydrophobicContact CD1-CB 4.05Å; L84-M147 HydrophobicContact CD2-CB 4.2Å; F88-M147 HydrophobicContact CB-CE 3.92Å; F88-M147 HydrophobicContact CD2-CE 4.12Å; F88-M147 HydrophobicContact CD2-SD 4.47Å; F88-M147 HydrophobicContact CG-CE 4Å; E143-M147 HydrophobicContact CG-CE 4.16Å; E143-M147 WeakPolarHBondContact O-CG 3.42Å; E143-M147 PolarHBondContact O-N 3.24Å; I144-M147 HydrophobicContact CB-CE 4.43Å; I144-M147 HydrophobicContact CG1-CE 3.97Å; I144-M147 PolarHBondContact O-N 2.93Å; M147-A150 PolarHBondContact O-N 2.86Å; M147-V151 WeakPolarHBondContact O-CG2 3.19Å; M147-V151 PolarHBondContact O-N 2.66Å
148R95.4Very high95.6Very high77 Ų7776 Ų7629%0.29139%0.388SS..Hα-helixtrans-63.1-46.2177.4-178.4-176.6-179.7-174.6-0.5111.7D78 I80 E81 L84 I144 S145 E146 A150 V151 N152D78-R148 IonicContact OD2-CZ 2.75Å; D78-R148 IonicContact OD2-NE 3.26Å; D78-R148 IonicContact OD2-NH1 3.63Å; D78-R148 IonicContact OD2-NH2 2.87Å; D78-R148 PolarHBondContact OD2-NH2 3.24Å; I80-R148 HydrophobicContact CG2-CG 4.33Å; E81-R148 IonicContact OE1-CZ 3.58Å; E81-R148 IonicContact OE1-NH1 3.1Å; E81-R148 PolarHBondContact OE1-NH1 2.98Å; L84-R148 HydrophobicContact CD1-CB 3.87Å; I144-R148 WeakPolarHBondContact O-CB 3.46Å; I144-R148 PolarHBondContact O-N 3.35Å; S145-R148 WeakPolarHBondContact O-CB 3.26Å; S145-R148 PolarHBondContact O-N 3.45Å; E146-R148 VanDerWaalsContact C-N 3.28Å; E146-R148 PolarHBondContact O-N 2.83Å; R148-A150 VanDerWaalsContact C-N 3.31Å; R148-A150 PolarHBondContact O-N 2.86Å; R148-V151 PolarHBondContact O-N 2.89Å; R148-N152 PolarHBondContact O-N 3.3Å
149L96.2Very high95.8Very high120 Ų12076 Ų7663%0.62840%0.395SS*.Hα-helixtrans-62.3-40.2177-69.8173.3000111.5S145 E146 N152 S153S145-L149 WeakPolarHBondContact O-CG 3.45Å; S145-L149 PolarHBondContact O-N 3.36Å; E146-L149 PolarHBondContact O-N 3.42Å; L149-N152 PolarHBondContact O-N 3.48Å; L149-S153 WeakPolarHBondContact O-CB 3.46Å; L149-S153 PolarHBondContact O-N 3.42Å
150A97.2Very high95.9Very high61 Ų6176.2 Ų76.250%0.50440%0.396SS..Hα-helixtrans-62-44.8176.200000112E146 M147 R148 S153 R154E146-A150 WeakPolarHBondContact O-CB 3.12Å; E146-A150 PolarHBondContact O-N 3.36Å; M147-A150 PolarHBondContact O-N 2.86Å; R148-A150 VanDerWaalsContact C-N 3.31Å; R148-A150 PolarHBondContact O-N 2.86Å; A150-S153 PolarHBondContact O-N 3.16Å; A150-R154 WeakPolarHBondContact O-CB 3.35Å; A150-R154 PolarHBondContact O-N 3.5Å
151V96.7Very high96Very high69 Ų6981.6 Ų81.642%0.41842%0.421SS..Hα-helixtrans-60.4-47.5175.8170.30000111.1L84 M147 R148 S153 R154 A155L84-V151 HydrophobicContact CD2-CG2 4.33Å; M147-V151 WeakPolarHBondContact O-CG2 3.19Å; M147-V151 PolarHBondContact O-N 2.66Å; R148-V151 PolarHBondContact O-N 2.89Å; V151-S153 PolarHBondContact O-N 3.09Å; V151-R154 PolarHBondContact O-N 3.46Å; V151-A155 WeakPolarHBondContact O-CB 3.44Å; V151-A155 PolarHBondContact O-N 2.86Å
152N95.8Very high96.3Very high68 Ų6886.2 Ų86.236%0.36444%0.439SS..Hα-helixtrans-64.7-41179.7-73.1-14.8000112.4R148 L149 A155 R156R148-N152 PolarHBondContact O-N 3.3Å; L149-N152 PolarHBondContact O-N 3.48Å; N152-A155 PolarHBondContact O-N 3.22Å; N152-R156 PolarHBondContact O-N 2.66Å; N152-R156 VanDerWaalsContact O-N 3.15Å
153S97.8Very high96.5Very high42 Ų4286 Ų8629%0.29444%0.443SS..Hα-helixtrans-61.4-46.6175.7-168.70000111L149 A150 V151 A155 R156 Q157L149-S153 WeakPolarHBondContact O-CB 3.46Å; L149-S153 PolarHBondContact O-N 3.42Å; A150-S153 PolarHBondContact O-N 3.16Å; V151-S153 PolarHBondContact O-N 3.09Å; S153-A155 PolarHBondContact O-N 3.11Å; S153-R156 PolarHBondContact O-N 3.44Å; S153-Q157 WeakPolarHBondContact O-CG 3.34Å; S153-Q157 PolarHBondContact O-N 3.31Å; S153-Q157 VanDerWaalsContact O-N 3.08Å
154R97.9Very high96.5Very high159 Ų15987.9 Ų87.960%0.645%0.45SS*.Hα-helixtrans-65.5-39.4179.3-170.558.6171.4-175.1-0.3112.3A150 V151 R156 Q157 C158A150-R154 WeakPolarHBondContact O-CB 3.35Å; A150-R154 PolarHBondContact O-N 3.5Å; V151-R154 PolarHBondContact O-N 3.46Å; R154-R156 VanDerWaalsContact C-N 3.33Å; R154-R156 PolarHBondContact O-N 2.93Å; R154-Q157 PolarHBondContact O-N 3.3Å; R154-C158 WeakPolarHBondContact O-CB 3.41Å; R154-C158 PolarHBondContact O-N 3.26Å; R154-C158 PolarHBondContact O-SG 2.99Å
155A97.7Very high96.5Very high57 Ų5791.5 Ų91.547%0.47148%0.48SS..Hα-helixtrans-59.5-43.217600000111.8V151 N152 S153 C158 A159V151-A155 WeakPolarHBondContact O-CB 3.44Å; V151-A155 PolarHBondContact O-N 2.86Å; N152-A155 PolarHBondContact O-N 3.22Å; S153-A155 PolarHBondContact O-N 3.11Å; A155-C158 PolarHBondContact O-N 3.1Å; A155-A159 WeakPolarHBondContact O-CB 3.39Å; A155-A159 PolarHBondContact O-N 3.22Å
156R97.7Very high96.5Very high161 Ų16195.7 Ų95.761%0.60849%0.492SS*.Hα-helixtrans-62.5-48.9175.3-72.3-173.8-65.2170.12.4112.3N152 S153 R154 C158 A159 E160N152-R156 PolarHBondContact O-N 2.66Å; N152-R156 VanDerWaalsContact O-N 3.15Å; S153-R156 PolarHBondContact O-N 3.44Å; R154-R156 VanDerWaalsContact C-N 3.33Å; R154-R156 PolarHBondContact O-N 2.93Å; R156-C158 VanDerWaalsContact C-N 3.3Å; R156-C158 PolarHBondContact O-N 3.33Å; R156-A159 PolarHBondContact O-N 3.39Å; R156-A159 VanDerWaalsContact O-N 3.12Å; R156-E160 WeakPolarHBondContact O-CG 3.38Å; R156-E160 PolarHBondContact O-N 2.87Å
157Q97.7Very high95.3Very high92 Ų9299.6 Ų99.643%0.4352%0.516SS..Hα-helixtrans-56.9-44.4177.2-70.8175.71.800112S153 R154 A159 E161S153-Q157 WeakPolarHBondContact O-CG 3.34Å; S153-Q157 PolarHBondContact O-N 3.31Å; S153-Q157 VanDerWaalsContact O-N 3.08Å; R154-Q157 PolarHBondContact O-N 3.3Å; Q157-A159 VanDerWaalsContact C-N 3.35Å; Q157-A159 PolarHBondContact O-N 3.23Å; Q157-E161 VanDerWaalsContact O-CB 3.3Å; Q157-E161 WeakPolarHBondContact O-CB 3.45Å; Q157-E161 PolarHBondContact O-N 3.43Å
158C98Very high95.3Very high69 Ų69102.3 Ų102.347%0.46653%0.531SS..Hα-helixtrans-64.2-39177.9-70.10000112.3R154 A155 R156 F162R154-C158 WeakPolarHBondContact O-CB 3.41Å; R154-C158 PolarHBondContact O-N 3.26Å; R154-C158 PolarHBondContact O-SG 2.99Å; A155-C158 PolarHBondContact O-N 3.1Å; R156-C158 VanDerWaalsContact C-N 3.3Å; R156-C158 PolarHBondContact O-N 3.33Å; C158-F162 VanDerWaalsContact O-CB 3.3Å; C158-F162 WeakPolarHBondContact O-CB 3.44Å; C158-F162 PolarHBondContact O-N 3.46Å
159A97.7Very high95.3Very high51 Ų51103.6 Ų103.642%0.42154%0.544SS..Hα-helixtrans-68.4-46.4177.700000112A155 R156 Q157 E161 F162 L163A155-A159 WeakPolarHBondContact O-CB 3.39Å; A155-A159 PolarHBondContact O-N 3.22Å; R156-A159 PolarHBondContact O-N 3.39Å; R156-A159 VanDerWaalsContact O-N 3.12Å; Q157-A159 VanDerWaalsContact C-N 3.35Å; Q157-A159 PolarHBondContact O-N 3.23Å; A159-E161 VanDerWaalsContact C-N 3.35Å; A159-E161 PolarHBondContact O-N 3.4Å; A159-F162 PolarHBondContact O-N 3.22Å; A159-L163 VanDerWaalsContact O-CG 3.31Å; A159-L163 WeakPolarHBondContact O-CG 3.49Å; A159-L163 PolarHBondContact O-N 2.86Å
160E96.9Very high95.2Very high117 Ų117102.7 Ų102.755%0.54754%0.539SS..Hα-helixtrans-59.1-46.1176.3-73.1170.9-169.400111.2R156 L163 K164R156-E160 WeakPolarHBondContact O-CG 3.38Å; R156-E160 PolarHBondContact O-N 2.87Å; E160-L163 PolarHBondContact O-N 3.11Å; E160-K164 WeakPolarHBondContact O-CG 3.24Å; E160-K164 PolarHBondContact O-N 2.81Å
161E96.9Very high95.1Very high120 Ų120105.2 Ų105.256%0.56154%0.541SS*.Hα-helixtrans-67.5-37.3-179.4-165.361.9-163.300112.6Q157 A159 K164Q157-E161 VanDerWaalsContact O-CB 3.3Å; Q157-E161 WeakPolarHBondContact O-CB 3.45Å; Q157-E161 PolarHBondContact O-N 3.43Å; A159-E161 VanDerWaalsContact C-N 3.35Å; A159-E161 PolarHBondContact O-N 3.4Å; E161-K164 IonicContact OE2-NZ 2.74Å; E161-K164 PolarHBondContact OE2-NZ 3.37Å
162F96.7Very high95Very high134 Ų134107.4 Ų107.459%0.58855%0.549SS*.Hα-helixtrans-65.9-40.1175.8-178.2-99.4000112.1C158 A159 A165 F166C158-F162 VanDerWaalsContact O-CB 3.3Å; C158-F162 WeakPolarHBondContact O-CB 3.44Å; C158-F162 PolarHBondContact O-N 3.46Å; A159-F162 PolarHBondContact O-N 3.22Å; F162-A165 WeakPolarHBondContact O-CB 3.25Å; F162-A165 PolarHBondContact O-N 2.85Å; F162-F166 AromaticContact CD1-CE2 3.94Å; F162-F166 HydrophobicContact CD1-CE2 3.94Å; F162-F166 HydrophobicContact CE1-CD2 4.39Å; F162-F166 AromaticContact CE1-CE2 3.44Å; F162-F166 HydrophobicContact CE1-CE2 3.44Å; F162-F166 VanDerWaalsContact CE1-CE2 3.44Å; F162-F166 HydrophobicContact CE1-CZ 4.03Å; F162-F166 HydrophobicContact CE2-CE2 4.19Å; F162-F166 AromaticContact CZ-CE2 3.58Å; F162-F166 HydrophobicContact CZ-CE2 3.58Å; F162-F166 AromaticContact CZ-CZ 3.85Å; F162-F166 HydrophobicContact CZ-CZ 3.85Å; F162-F166 WeakPolarHBondContact O-CD2 3.36Å
163L96.1Very high95Very high105 Ų105110.1 Ų110.155%0.5556%0.561SS.*Hα-helixtrans-70.7-31.5-178.1-71.6172.1000113.2A159 E160 A165 F166A159-L163 VanDerWaalsContact O-CG 3.31Å; A159-L163 WeakPolarHBondContact O-CG 3.49Å; A159-L163 PolarHBondContact O-N 2.86Å; E160-L163 PolarHBondContact O-N 3.11Å; L163-A165 PolarHBondContact O-N 3.27Å; L163-F166 PolarHBondContact O-N 3Å
164K95.7Very high94.8Very high122 Ų122114.9 Ų114.953%0.5358%0.58SS.*THydrogen-bonded Turntrans-56.8-21.6173.2-72.6174-166.5167.10113.9E160 E161 F166E160-K164 WeakPolarHBondContact O-CG 3.24Å; E160-K164 PolarHBondContact O-N 2.81Å; E161-K164 IonicContact OE2-NZ 2.74Å; E161-K164 PolarHBondContact OE2-NZ 3.37Å; K164-F166 PolarHBondContact O-N 3.14Å
165A92.7Very high94.5Very high79 Ų79111.5 Ų111.565%0.65358%0.578SS**THydrogen-bonded Turntrans-76.5-8.917700000113.5F162 L163F162-A165 WeakPolarHBondContact O-CB 3.25Å; F162-A165 PolarHBondContact O-N 2.85Å; L163-A165 PolarHBondContact O-N 3.27Å
166F92.9Very high94.3Very high144 Ų144116.1 Ų116.163%0.63259%0.587SS**  trans-111.7-3.5-179.3-62.4-87.4000113.4F162 L163 K164F162-F166 AromaticContact CD1-CE2 3.94Å; F162-F166 HydrophobicContact CD1-CE2 3.94Å; F162-F166 HydrophobicContact CE1-CD2 4.39Å; F162-F166 AromaticContact CE1-CE2 3.44Å; F162-F166 HydrophobicContact CE1-CE2 3.44Å; F162-F166 VanDerWaalsContact CE1-CE2 3.44Å; F162-F166 HydrophobicContact CE1-CZ 4.03Å; F162-F166 HydrophobicContact CE2-CE2 4.19Å; F162-F166 AromaticContact CZ-CE2 3.58Å; F162-F166 HydrophobicContact CZ-CE2 3.58Å; F162-F166 AromaticContact CZ-CZ 3.85Å; F162-F166 HydrophobicContact CZ-CZ 3.85Å; F162-F166 WeakPolarHBondContact O-CD2 3.36Å; L163-F166 PolarHBondContact O-N 3Å; K164-F166 PolarHBondContact O-N 3.14Å
167D72.5Confident94Very high199 Ų199112 Ų112100%1.06459%0.586SS**  trans-93.20169.3-67.9-32.4000110.4

Retrieved 167 of 167 residues in 124.2 ms (Link to these results)

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