A0A087WPH0_MOUSE Loading...

Neutrophil cytosolic factor 2

AlphaFold DB , UniProt , Accession A0A087WPH0, Species MOUSE (Mus musculus, Mouse), Gene Ncf2, Length 114 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M82.4Confident93.3Very high67 Ų6794.3 Ų94.333%0.3343%0.429SS..  012.80-65.9-54.6-102.300114.5Y4 R5 M52 P96 V98M1-Y4 HydrophobicContact CE-CD1 3.64Å; M1-Y4 HydrophobicContact CE-CD2 4.44Å; M1-Y4 HydrophobicContact CE-CE1 4.23Å; M1-Y4 HydrophobicContact CE-CG 3.75Å; M1-Y4 HydrophobicContact SD-CD1 4.46Å; M1-Y4 HydrophobicContact SD-CG 4.3Å; M1-R5 PolarHBondContact O-N 3.3Å; M1-M52 HydrophobicContact CE-CE 4.09Å; M1-P96 HydrophobicContact CE-CB 3.15Å; M1-P96 HydrophobicContact CE-CG 3.86Å; M1-V98 HydrophobicContact CB-CG1 4.15Å; M1-V98 HydrophobicContact CG-CG1 3.85Å
2L92.2Very high93.6Very high102 Ų10286.9 Ų86.953%0.53440%0.397SS..Hα-helixtrans-66.3-55.3174.1179.964.4000111.6Y4 R5 M6L2-Y4 PolarHBondContact O-N 3.23Å; L2-R5 WeakPolarHBondContact O-CB 3.41Å; L2-R5 PolarHBondContact O-N 3.1Å; L2-M6 HydrophobicContact CG-SD 4.28Å; L2-M6 PolarHBondContact O-N 3.35Å
3Y93.9Very high94Very high76 Ų7681 Ų8130%0.29837%0.371SS..Hα-helixtrans-61.4-31.1179.1-69.7-52.2000113.8M6 E7 K8 L11 D15Y3-M6 HydrophobicContact CD1-SD 4.35Å; Y3-M6 CarbonylContact O-C 3.5Å; Y3-M6 PolarHBondContact O-N 3.48Å; Y3-M6 VanDerWaalsContact O-N 3.15Å; Y3-E7 PolarHBondContact O-N 2.79Å; Y3-K8 HydrophobicContact CD1-CB 4.19Å; Y3-K8 HydrophobicContact CD1-CD 4.12Å; Y3-K8 PolarHBondContact O-N 3.15Å; Y3-L11 HydrophobicContact CD1-CB 4.08Å; Y3-L11 HydrophobicContact CD1-CD1 3.9Å; Y3-L11 HydrophobicContact CD2-CB 3.73Å; Y3-L11 HydrophobicContact CE1-CB 4.41Å; Y3-L11 HydrophobicContact CE1-CD1 3.73Å; Y3-L11 HydrophobicContact CE2-CB 4.09Å; Y3-L11 HydrophobicContact CG-CB 3.72Å; Y3-L11 HydrophobicContact CG-CD1 4.41Å; Y3-D15 VanDerWaalsContact CD2-OD2 3.25Å; Y3-D15 WeakPolarHBondContact CD2-OD2 3.47Å; Y3-D15 WeakPolarHBondContact CE2-OD2 3.36Å
4Y91.1Very high94.2Very high50 Ų5085.7 Ų85.720%0.19639%0.39CS..Hα-helixtrans-57.8-46.9170.8169.4-112.3000112.1M1 L2 M6 E7 Y9 M52 K55 P96M1-Y4 HydrophobicContact CE-CD1 3.64Å; M1-Y4 HydrophobicContact CE-CD2 4.44Å; M1-Y4 HydrophobicContact CE-CE1 4.23Å; M1-Y4 HydrophobicContact CE-CG 3.75Å; M1-Y4 HydrophobicContact SD-CD1 4.46Å; M1-Y4 HydrophobicContact SD-CG 4.3Å; L2-Y4 PolarHBondContact O-N 3.23Å; Y4-M6 PolarHBondContact O-N 2.79Å; Y4-E7 PolarHBondContact O-N 2.91Å; Y4-Y9 HydrophobicContact CD2-CD1 4.42Å; Y4-Y9 HydrophobicContact CD2-CE1 4.07Å; Y4-Y9 HydrophobicContact CE2-CE1 4.32Å; Y4-M52 HydrophobicContact CD2-CE 3.39Å; Y4-M52 HydrophobicContact CD2-SD 3.66Å; Y4-M52 HydrophobicContact CE2-CE 3.82Å; Y4-M52 HydrophobicContact CG-CE 4.04Å; Y4-M52 HydrophobicContact CG-SD 4.21Å; Y4-K55 HydrophobicContact CE2-CG 4.36Å; Y4-P96 HydrophobicContact CE1-CG 4.05Å
5R92.2Very high94.5Very high193 Ų19385.7 Ų85.773%0.72839%0.394SS*.Hα-helixtrans-66.3-18.6177.9-68.2-173.8-65.9-1681.5113.5M1 L2M1-R5 PolarHBondContact O-N 3.3Å; L2-R5 WeakPolarHBondContact O-CB 3.41Å; L2-R5 PolarHBondContact O-N 3.1Å
6M95.2Very high94.6Very high95 Ų9581.8 Ų81.847%0.46838%0.377SS..THydrogen-bonded Turntrans-98.77.9176.5-57.6173.972.100112.1L2 Y3 Y4 K8L2-M6 HydrophobicContact CG-SD 4.28Å; L2-M6 PolarHBondContact O-N 3.35Å; Y3-M6 HydrophobicContact CD1-SD 4.35Å; Y3-M6 CarbonylContact O-C 3.5Å; Y3-M6 PolarHBondContact O-N 3.48Å; Y3-M6 VanDerWaalsContact O-N 3.15Å; Y4-M6 PolarHBondContact O-N 2.79Å; M6-K8 HydrophobicContact CB-CG 4.19Å; M6-K8 PolarHBondContact O-N 2.9Å; M6-K8 VanDerWaalsContact O-N 3.07Å
7E93.8Very high94.8Very high141 Ų14182.8 Ų82.866%0.65938%0.38SS*.THydrogen-bonded Turntrans57.721-176.7-55.2-176.3-151.800114.3Y3 Y4 Y9Y3-E7 PolarHBondContact O-N 2.79Å; Y4-E7 PolarHBondContact O-N 2.91Å; E7-Y9 VanDerWaalsContact C-N 3.33Å; E7-Y9 HydrophobicContact CB-CE2 4.26Å; E7-Y9 PolarHBondContact O-N 3.1Å; E7-Y9 VanDerWaalsContact O-N 3.15Å
8K96.2Very high95Very high100 Ų10083.8 Ų83.844%0.43539%0.385SS..  trans-89.368.9175.7-61.4-169.5-177-177.90110.2Y3 M6 D10 L11 A12Y3-K8 HydrophobicContact CD1-CB 4.19Å; Y3-K8 HydrophobicContact CD1-CD 4.12Å; Y3-K8 PolarHBondContact O-N 3.15Å; M6-K8 HydrophobicContact CB-CG 4.19Å; M6-K8 PolarHBondContact O-N 2.9Å; M6-K8 VanDerWaalsContact O-N 3.07Å; K8-D10 PolarHBondContact O-N 2.8Å; K8-L11 HydrophobicContact CB-CB 4.28Å; K8-L11 HydrophobicContact CB-CD1 4.11Å; K8-L11 HydrophobicContact CB-CG 4.42Å; K8-L11 HydrophobicContact CD-CD1 3.76Å; K8-L11 PolarHBondContact O-N 3.46Å; K8-A12 PolarHBondContact O-N 3.35Å
9Y96.3Very high95Very high44 Ų4481.1 Ų81.117%0.17338%0.379CS..Hα-helixtrans-62-39-170.3-54.4-57.3000113.9Y4 E7 L11 A12 I13 M52 K55 K56Y4-Y9 HydrophobicContact CD2-CD1 4.42Å; Y4-Y9 HydrophobicContact CD2-CE1 4.07Å; Y4-Y9 HydrophobicContact CE2-CE1 4.32Å; E7-Y9 VanDerWaalsContact C-N 3.33Å; E7-Y9 HydrophobicContact CB-CE2 4.26Å; E7-Y9 PolarHBondContact O-N 3.1Å; E7-Y9 VanDerWaalsContact O-N 3.15Å; Y9-L11 PolarHBondContact O-N 3Å; Y9-A12 WeakPolarHBondContact O-CB 3.21Å; Y9-A12 PolarHBondContact O-N 3.45Å; Y9-I13 VanDerWaalsContact O-CG1 3.3Å; Y9-I13 WeakPolarHBondContact O-CG1 3.46Å; Y9-I13 PolarHBondContact O-N 3.11Å; Y9-M52 HydrophobicContact CD1-SD 4.17Å; Y9-K55 HydrophobicContact CD1-CB 4.02Å; Y9-K55 HydrophobicContact CE1-CB 3.84Å; Y9-K55 HydrophobicContact CE1-CD 4.35Å; Y9-K55 HydrophobicContact CE1-CG 4.09Å; Y9-K55 HydrophobicContact CE2-CB 4.36Å; Y9-K55 HydrophobicContact CG-CB 4.36Å; Y9-K56 HydrophobicContact CD2-CG 4.05Å; Y9-K56 HydrophobicContact CG-CG 4.2Å
10D96.1Very high95.1Very high101 Ų10179.3 Ų79.354%0.5437%0.372SS..Hα-helixtrans-65.9-37.6178.9-67.5-55.5000112.7K8 I13 K14 K56K8-D10 PolarHBondContact O-N 2.8Å; D10-I13 PolarHBondContact O-N 3.08Å; D10-K14 WeakPolarHBondContact O-CB 3.48Å; D10-K14 PolarHBondContact O-N 3.03Å; D10-K56 WeakPolarHBondContact OD1-CE 3.37Å; D10-K56 IonicContact OD1-NZ 3.06Å; D10-K56 PolarHBondContact OD1-NZ 3.42Å; D10-K56 IonicContact OD2-NZ 2.71Å
11L97.1Very high95.2Very high68 Ų6879.9 Ų79.936%0.35638%0.381SS..Hα-helixtrans-67.7-39.8173-64.6-179.1000111.2Y3 K8 Y9 I13 K14 D15Y3-L11 HydrophobicContact CD1-CB 4.08Å; Y3-L11 HydrophobicContact CD1-CD1 3.9Å; Y3-L11 HydrophobicContact CD2-CB 3.73Å; Y3-L11 HydrophobicContact CE1-CB 4.41Å; Y3-L11 HydrophobicContact CE1-CD1 3.73Å; Y3-L11 HydrophobicContact CE2-CB 4.09Å; Y3-L11 HydrophobicContact CG-CB 3.72Å; Y3-L11 HydrophobicContact CG-CD1 4.41Å; K8-L11 HydrophobicContact CB-CB 4.28Å; K8-L11 HydrophobicContact CB-CD1 4.11Å; K8-L11 HydrophobicContact CB-CG 4.42Å; K8-L11 HydrophobicContact CD-CD1 3.76Å; K8-L11 PolarHBondContact O-N 3.46Å; Y9-L11 PolarHBondContact O-N 3Å; L11-I13 VanDerWaalsContact C-N 3.35Å; L11-I13 PolarHBondContact O-N 3.26Å; L11-K14 PolarHBondContact O-N 3.23Å; L11-D15 PolarHBondContact O-N 3.08Å
12A97.4Very high95.9Very high6 Ų681.8 Ų81.85%0.0539%0.389CS..Hα-helixtrans-61.9-42.717500000111.8K8 Y9 D15 L16 M52K8-A12 PolarHBondContact O-N 3.35Å; Y9-A12 WeakPolarHBondContact O-CB 3.21Å; Y9-A12 PolarHBondContact O-N 3.45Å; A12-D15 PolarHBondContact O-N 3.17Å; A12-L16 WeakPolarHBondContact O-CB 3.38Å; A12-L16 WeakPolarHBondContact O-CD1 3.34Å; A12-L16 WeakPolarHBondContact O-CG 3.42Å; A12-L16 PolarHBondContact O-N 3.22Å; A12-M52 HydrophobicContact CB-CG 4.09Å; A12-M52 HydrophobicContact CB-SD 3.75Å
13I97.6Very high96.1Very high10 Ų1077 Ų775%0.05136%0.364CS..Hα-helixtrans-61.9-44.3175.3-70.1163.6000110.5Y9 D10 L11 L16 K17 I49 M52 K56Y9-I13 VanDerWaalsContact O-CG1 3.3Å; Y9-I13 WeakPolarHBondContact O-CG1 3.46Å; Y9-I13 PolarHBondContact O-N 3.11Å; D10-I13 PolarHBondContact O-N 3.08Å; L11-I13 VanDerWaalsContact C-N 3.35Å; L11-I13 PolarHBondContact O-N 3.26Å; I13-L16 PolarHBondContact O-N 2.92Å; I13-K17 HydrophobicContact CG2-CD 3.93Å; I13-K17 HydrophobicContact CG2-CG 4.3Å; I13-K17 WeakPolarHBondContact O-CB 3.23Å; I13-K17 WeakPolarHBondContact O-CG 3.49Å; I13-K17 PolarHBondContact O-N 2.57Å; I13-I49 HydrophobicContact CG2-CG2 4.48Å; I13-M52 HydrophobicContact CD1-CB 3.81Å; I13-M52 HydrophobicContact CG1-CB 3.37Å; I13-M52 HydrophobicContact CG1-CG 4.01Å; I13-K56 HydrophobicContact CD1-CD 4.03Å
14K97.9Very high96.1Very high147 Ų14783 Ų8364%0.63939%0.386SS*.Hα-helixtrans-58.2-51178.4-175.6-178.7175.8-177.20111.4D10 L11 L16 K17 E18D10-K14 WeakPolarHBondContact O-CB 3.48Å; D10-K14 PolarHBondContact O-N 3.03Å; L11-K14 PolarHBondContact O-N 3.23Å; K14-L16 PolarHBondContact O-N 3.06Å; K14-K17 PolarHBondContact O-N 2.91Å; K14-E18 PolarHBondContact O-N 3.43Å
15D97.6Very high96.2Very high86 Ų8684 Ų8446%0.4641%0.412SS..Hα-helixtrans-64.1-39.3179.5-76.12000112.4Y3 L11 A12 E18 A19Y3-D15 VanDerWaalsContact CD2-OD2 3.25Å; Y3-D15 WeakPolarHBondContact CD2-OD2 3.47Å; Y3-D15 WeakPolarHBondContact CE2-OD2 3.36Å; L11-D15 PolarHBondContact O-N 3.08Å; A12-D15 PolarHBondContact O-N 3.17Å; D15-E18 PolarHBondContact O-N 3.28Å; D15-A19 WeakPolarHBondContact O-CB 3.1Å; D15-A19 PolarHBondContact O-N 2.89Å
16L97.5Very high96.3Very high23 Ų2378.9 Ų78.912%0.1240%0.399CS..Hα-helixtrans-68.7-38.9178.3-72.5167.6000112.1A12 I13 K14 A19 L20 V45 N48 I49 M52A12-L16 WeakPolarHBondContact O-CB 3.38Å; A12-L16 WeakPolarHBondContact O-CD1 3.34Å; A12-L16 WeakPolarHBondContact O-CG 3.42Å; A12-L16 PolarHBondContact O-N 3.22Å; I13-L16 PolarHBondContact O-N 2.92Å; K14-L16 PolarHBondContact O-N 3.06Å; L16-A19 PolarHBondContact O-N 3.01Å; L16-L20 PolarHBondContact O-N 2.7Å; L16-V45 HydrophobicContact CB-CG1 4.36Å; L16-V45 HydrophobicContact CD2-CG1 4.31Å; L16-V45 VanDerWaalsContact O-CG1 3.26Å; L16-V45 WeakPolarHBondContact O-CG1 3.45Å; L16-N48 HydrophobicContact CD1-CB 3.86Å; L16-N48 HydrophobicContact CD2-CB 4.06Å; L16-I49 HydrophobicContact CB-CD1 4.06Å; L16-I49 HydrophobicContact CB-CG1 3.48Å; L16-I49 VanDerWaalsContact CB-CG1 3.48Å; L16-I49 HydrophobicContact CD1-CG1 4.07Å; L16-I49 HydrophobicContact CG-CG1 4.37Å; L16-M52 HydrophobicContact CD1-CG 3.94Å
17K97.1Very high96.2Very high99 Ų9979.2 Ų79.243%0.4340%0.399SS..Hα-helixtrans-64.4-41.7173.4-76.8-178.8176.7-177.40111.2I13 K14 L20 T21 I49I13-K17 HydrophobicContact CG2-CD 3.93Å; I13-K17 HydrophobicContact CG2-CG 4.3Å; I13-K17 WeakPolarHBondContact O-CB 3.23Å; I13-K17 WeakPolarHBondContact O-CG 3.49Å; I13-K17 PolarHBondContact O-N 2.57Å; K14-K17 PolarHBondContact O-N 2.91Å; K17-L20 WeakPolarHBondContact O-CB 3.15Å; K17-L20 PolarHBondContact O-N 3.04Å; K17-T21 PolarHBondContact O-N 3.44Å; K17-T21 PolarHBondContact O-OG1 2.86Å; K17-T21 VanDerWaalsContact O-OG1 3.1Å; K17-I49 HydrophobicContact CG-CD1 4.01Å
18E97.6Very high96.3Very high100 Ų10075.2 Ų75.247%0.46738%0.382SS..Hα-helixtrans-60.1-47.1173.6-174.158.2-145.600110.7K14 D15 L20 T21 Q22K14-E18 PolarHBondContact O-N 3.43Å; D15-E18 PolarHBondContact O-N 3.28Å; E18-L20 VanDerWaalsContact C-N 3.28Å; E18-L20 PolarHBondContact O-N 2.95Å; E18-T21 WeakPolarHBondContact O-CB 3.48Å; E18-T21 PolarHBondContact O-N 3.26Å; E18-T21 VanDerWaalsContact O-N 3.07Å; E18-Q22 WeakPolarHBondContact O-CG 3.25Å; E18-Q22 PolarHBondContact O-N 2.88Å; E18-Q22 PolarHBondContact OE1-NE2 3.12Å
19A96.7Very high96.4Very high33 Ų3372.9 Ų72.927%0.27337%0.374SS..Hα-helixtrans-57.7-40.4175.800000112.4D15 L16 Q22 L23D15-A19 WeakPolarHBondContact O-CB 3.1Å; D15-A19 PolarHBondContact O-N 2.89Å; L16-A19 PolarHBondContact O-N 3.01Å; A19-Q22 PolarHBondContact O-N 3.25Å; A19-L23 PolarHBondContact O-N 2.82Å
20L96.6Very high96.3Very high45 Ų4573.7 Ų73.724%0.23638%0.381CS..Hα-helixtrans-64.1-41.4174.9-173.664.1000112L16 K17 E18 Q22 L23 A42 V45 L46 I49L16-L20 PolarHBondContact O-N 2.7Å; K17-L20 WeakPolarHBondContact O-CB 3.15Å; K17-L20 PolarHBondContact O-N 3.04Å; E18-L20 VanDerWaalsContact C-N 3.28Å; E18-L20 PolarHBondContact O-N 2.95Å; L20-Q22 VanDerWaalsContact C-N 3.33Å; L20-Q22 PolarHBondContact O-N 3.24Å; L20-L23 HydrophobicContact CD1-CD1 4.13Å; L20-L23 WeakPolarHBondContact O-CB 3.4Å; L20-L23 PolarHBondContact O-N 3.06Å; L20-A42 HydrophobicContact CD1-CB 4.03Å; L20-V45 HydrophobicContact CB-CG1 4Å; L20-L46 HydrophobicContact CD1-CG 4.27Å; L20-L46 HydrophobicContact CD2-CD2 3.58Å; L20-L46 HydrophobicContact CD2-CG 4.03Å; L20-I49 HydrophobicContact CD2-CD1 4.37Å
21T97Very high96.3Very high91 Ų9171.8 Ų71.856%0.55837%0.367SS*.Hα-helixtrans-61-41.9173.8-58.70000111.4K17 E18 L23 R24K17-T21 PolarHBondContact O-N 3.44Å; K17-T21 PolarHBondContact O-OG1 2.86Å; K17-T21 VanDerWaalsContact O-OG1 3.1Å; E18-T21 WeakPolarHBondContact O-CB 3.48Å; E18-T21 PolarHBondContact O-N 3.26Å; E18-T21 VanDerWaalsContact O-N 3.07Å; T21-L23 PolarHBondContact O-N 3.46Å; T21-R24 WeakPolarHBondContact O-CA 3.44Å; T21-R24 PolarHBondContact O-N 3.03Å
22Q96.8Very high96.1Very high108 Ų10875.8 Ų75.851%0.50538%0.381SS..Hα-helixtrans-67.1-19.8178.4-64.4-58.9-29.400113.3E18 A19 L20 R24E18-Q22 WeakPolarHBondContact O-CG 3.25Å; E18-Q22 PolarHBondContact O-N 2.88Å; E18-Q22 PolarHBondContact OE1-NE2 3.12Å; A19-Q22 PolarHBondContact O-N 3.25Å; L20-Q22 VanDerWaalsContact C-N 3.33Å; L20-Q22 PolarHBondContact O-N 3.24Å; Q22-R24 PolarHBondContact O-N 3.11Å
23L95.6Very high95.7Very high1 Ų183 Ų831%0.00542%0.417CS..THydrogen-bonded Turntrans-68.4-18.1168.3-65.6172.9000112.4A19 L20 T21 G25 N26 I29 L40 A42 V45A19-L23 PolarHBondContact O-N 2.82Å; L20-L23 HydrophobicContact CD1-CD1 4.13Å; L20-L23 WeakPolarHBondContact O-CB 3.4Å; L20-L23 PolarHBondContact O-N 3.06Å; T21-L23 PolarHBondContact O-N 3.46Å; L23-G25 VanDerWaalsContact C-N 3.25Å; L23-G25 PolarHBondContact O-N 3.13Å; L23-N26 VanDerWaalsContact O-CB 3.27Å; L23-N26 WeakPolarHBondContact O-CB 3.32Å; L23-N26 PolarHBondContact O-N 2.91Å; L23-N26 PolarHBondContact O-ND2 3.36Å; L23-I29 HydrophobicContact CD2-CB 4.13Å; L23-I29 HydrophobicContact CD2-CD1 3.68Å; L23-I29 HydrophobicContact CD2-CG1 3.59Å; L23-L40 HydrophobicContact CD2-CD2 4.11Å; L23-L40 HydrophobicContact CD2-CG 4.36Å; L23-A42 VanDerWaalsContact CD1-CA 3.5Å; L23-A42 HydrophobicContact CD1-CB 3.72Å; L23-V45 HydrophobicContact CD1-CG2 4.37Å
24R95.3Very high95.3Very high202 Ų20287.9 Ų87.976%0.76244%0.443SS*.THydrogen-bonded Turntrans52.740.1175.2-62.1178.1-70.1174.60.5113.4T21 Q22 N26T21-R24 WeakPolarHBondContact O-CA 3.44Å; T21-R24 PolarHBondContact O-N 3.03Å; Q22-R24 PolarHBondContact O-N 3.11Å; R24-N26 PolarHBondContact O-N 3.18Å
25G92Very high95Very high71 Ų7182 Ų8273%0.73242%0.424SS*.THydrogen-bonded Turntrans77.7-1.4-17900000115.4L23L23-G25 VanDerWaalsContact C-N 3.25Å; L23-G25 PolarHBondContact O-N 3.13Å
26N94.4Very high94.9Very high86 Ų8678.4 Ų78.446%0.4641%0.405SS..  trans-70.6147173.5-64.3-76.7000110.8L23 R24 L28L23-N26 VanDerWaalsContact O-CB 3.27Å; L23-N26 WeakPolarHBondContact O-CB 3.32Å; L23-N26 PolarHBondContact O-N 2.91Å; L23-N26 PolarHBondContact O-ND2 3.36Å; R24-N26 PolarHBondContact O-N 3.18Å; N26-L28 VanDerWaalsContact C-N 3.27Å; N26-L28 PolarHBondContact O-N 2.97Å
27Q93.7Very high94.7Very high102 Ų10284.2 Ų84.248%0.47743%0.431SS..SBendtrans-64.7-33.3176.7-69.4-165.50.500112.6A42 S74Q27-A42 PolarHBondContact O-N 3.28Å; Q27-S74 PolarHBondContact OE1-OG 2.71Å
28L96.6Very high94.5Very high57 Ų5780.3 Ų80.330%0.29842%0.415SS..EExtended strand (participates in β ladder)trans-155.6166.4177.472.4126000112.7N26 D30 K39 L40 F41N26-L28 VanDerWaalsContact C-N 3.27Å; N26-L28 PolarHBondContact O-N 2.97Å; L28-D30 HydrophobicContact CD1-CB 4.31Å; L28-K39 HydrophobicContact CD1-CB 4.03Å; L28-K39 HydrophobicContact CD1-CD 3.99Å; L28-K39 HydrophobicContact CD1-CG 4Å; L28-L40 CarbonylContact C-O 3.44Å; L28-L40 WeakPolarHBondContact CA-O 3.48Å; L28-L40 VanDerWaalsContact CB-O 3.28Å; L28-L40 WeakPolarHBondContact CB-O 3.49Å; L28-F41 HydrophobicContact CB-CD1 3.69Å; L28-F41 HydrophobicContact CB-CE1 3.93Å; L28-F41 HydrophobicContact CB-CG 4.12Å; L28-F41 HydrophobicContact CD1-CE1 4.36Å; L28-F41 HydrophobicContact CD1-CZ 4.34Å; L28-F41 HydrophobicContact CD2-CD1 4.14Å; L28-F41 HydrophobicContact CD2-CE1 3.65Å; L28-F41 HydrophobicContact CD2-CZ 4.36Å; L28-F41 HydrophobicContact CG-CD1 4.43Å; L28-F41 HydrophobicContact CG-CE1 4.18Å
29I96.4Very high94.4Very high50 Ų5079.5 Ų79.526%0.25641%0.409SS..EExtended strand (participates in β ladder)trans-120.3126.9160.6-67.8176.6000108.3L23 Y31 K39 L40L23-I29 HydrophobicContact CD2-CB 4.13Å; L23-I29 HydrophobicContact CD2-CD1 3.68Å; L23-I29 HydrophobicContact CD2-CG1 3.59Å; I29-Y31 HydrophobicContact CB-CE2 4.05Å; I29-Y31 HydrophobicContact CG2-CD2 3.94Å; I29-Y31 HydrophobicContact CG2-CE1 4.39Å; I29-Y31 HydrophobicContact CG2-CE2 3.68Å; I29-Y31 HydrophobicContact CG2-CG 4.4Å; I29-K39 WeakPolarHBondContact O-CA 3.47Å; I29-L40 PolarHBondContact N-O 3.08Å; I29-L40 PolarHBondContact O-N 2.83Å
30D95.9Very high94.4Very high62 Ų6279.7 Ų79.733%0.33241%0.406SS..EExtended strand (participates in β ladder)trans-91.6111.8171.2-166.9-22.1000109.5L28 K32 K39L28-D30 HydrophobicContact CD1-CB 4.31Å; D30-K32 PolarHBondContact O-N 3.11Å; D30-K32 WeakPolarHBondContact OD1-CB 3.5Å; D30-K32 PolarHBondContact OD1-N 2.87Å; D30-K39 HydrophobicContact CB-CG 4.11Å; D30-K39 WeakPolarHBondContact OD2-CE 3.49Å
31Y95.4Very high94.4Very high61 Ų6177.7 Ų77.724%0.23940%0.395CS..G310 helixtrans-82.42.3-179-73.7-92.7000113.5I29 I33 L34 G35 L36 F38 L40 F105I29-Y31 HydrophobicContact CB-CE2 4.05Å; I29-Y31 HydrophobicContact CG2-CD2 3.94Å; I29-Y31 HydrophobicContact CG2-CE1 4.39Å; I29-Y31 HydrophobicContact CG2-CE2 3.68Å; I29-Y31 HydrophobicContact CG2-CG 4.4Å; Y31-I33 PolarHBondContact O-N 3.3Å; Y31-L34 HydrophobicContact CD1-CD1 3.97Å; Y31-L34 HydrophobicContact CE1-CD1 4.35Å; Y31-L34 CarbonylContact O-C 3.6Å; Y31-L34 WeakPolarHBondContact O-CA 3.38Å; Y31-L34 PolarHBondContact O-N 3.45Å; Y31-G35 PolarHBondContact O-N 3.2Å; Y31-L36 CarbonylContact C-O 3.42Å; Y31-L36 WeakPolarHBondContact CB-O 3.29Å; Y31-L36 HydrophobicContact CG-CD2 4.18Å; Y31-L36 PolarHBondContact O-N 2.9Å; Y31-L36 VanDerWaalsContact O-N 3.13Å; Y31-L36 VanDerWaalsContact O-O 3.07Å; Y31-F38 WeakPolarHBondContact CB-O 3.4Å; Y31-F38 PolarHBondContact N-O 2.81Å; Y31-L40 HydrophobicContact CD2-CB 4.37Å; Y31-L40 HydrophobicContact CE2-CB 3.8Å; Y31-L40 HydrophobicContact CE2-CD2 4.26Å; Y31-F105 HydrophobicContact CD1-CE1 4.13Å; Y31-F105 HydrophobicContact CD1-CZ 4Å
32K91.9Very high94.4Very high151 Ų15173.4 Ų73.466%0.65737%0.369SS*.G310 helixtrans-54.9-37.8-179.5-176.5-178.2178.3-174.60112D30 L34 G35 L36D30-K32 PolarHBondContact O-N 3.11Å; D30-K32 WeakPolarHBondContact OD1-CB 3.5Å; D30-K32 PolarHBondContact OD1-N 2.87Å; K32-L34 PolarHBondContact O-N 3.39Å; K32-G35 PolarHBondContact O-N 2.91Å; K32-L36 WeakPolarHBondContact CA-O 3.27Å; K32-L36 PolarHBondContact N-O 3.29Å
33I89Confident94.5Very high157 Ų15768.2 Ų68.281%0.80535%0.345SS*.G310 helixtrans-65.2-24.4178.762171.2000113.3Y31Y31-I33 PolarHBondContact O-N 3.3Å
34L90.4Very high94.5Very high113 Ų11368.5 Ų68.559%0.59235%0.346SS*.G310 helixtrans-94.73176.4-60.3-178.1000112Y31 K32 F105Y31-L34 HydrophobicContact CD1-CD1 3.97Å; Y31-L34 HydrophobicContact CE1-CD1 4.35Å; Y31-L34 CarbonylContact O-C 3.6Å; Y31-L34 WeakPolarHBondContact O-CA 3.38Å; Y31-L34 PolarHBondContact O-N 3.45Å; K32-L34 PolarHBondContact O-N 3.39Å; L34-F105 HydrophobicContact CB-CD1 4.36Å; L34-F105 HydrophobicContact CB-CE1 3.94Å; L34-F105 WeakPolarHBondContact O-CD1 3.37Å
35G91.9Very high94.7Very high24 Ų2459 Ų5925%0.24731%0.311CS..THydrogen-bonded Turntrans89.78.6179.100000115.1Y31 K32 R106Y31-G35 PolarHBondContact O-N 3.2Å; K32-G35 PolarHBondContact O-N 2.91Å; G35-R106 VanDerWaalsContact CA-O 3.3Å; G35-R106 WeakPolarHBondContact CA-O 3.48Å; G35-R106 PolarHBondContact O-N 2.89Å
36L94Very high94.9Very high10 Ų1055.9 Ų55.95%0.05228%0.277CS..  trans-108.3117172.2172.774.5000109.7Y31 K32 F38 R103 L104 F105Y31-L36 CarbonylContact C-O 3.42Å; Y31-L36 WeakPolarHBondContact CB-O 3.29Å; Y31-L36 HydrophobicContact CG-CD2 4.18Å; Y31-L36 PolarHBondContact O-N 2.9Å; Y31-L36 VanDerWaalsContact O-N 3.13Å; Y31-L36 VanDerWaalsContact O-O 3.07Å; K32-L36 WeakPolarHBondContact CA-O 3.27Å; K32-L36 PolarHBondContact N-O 3.29Å; L36-F38 HydrophobicContact CD1-CB 4.39Å; L36-F38 HydrophobicContact CD2-CB 3.91Å; L36-F38 HydrophobicContact CG-CB 3.78Å; L36-F38 PolarHBondContact O-N 3.46Å; L36-R103 HydrophobicContact CD1-CG 3.86Å; L36-L104 VanDerWaalsContact CD1-C 3.47Å; L36-L104 WeakPolarHBondContact CD1-O 3.3Å; L36-F105 HydrophobicContact CB-CD1 3.44Å; L36-F105 VanDerWaalsContact CB-CD1 3.44Å; L36-F105 HydrophobicContact CB-CD2 4.28Å; L36-F105 HydrophobicContact CB-CE1 3.41Å; L36-F105 VanDerWaalsContact CB-CE1 3.41Å; L36-F105 HydrophobicContact CB-CE2 4.26Å; L36-F105 HydrophobicContact CB-CG 3.89Å; L36-F105 HydrophobicContact CB-CZ 3.84Å; L36-F105 HydrophobicContact CD2-CD2 4.43Å; L36-F105 HydrophobicContact CD2-CE1 4.1Å; L36-F105 HydrophobicContact CD2-CE2 3.81Å; L36-F105 HydrophobicContact CD2-CZ 3.62Å; L36-F105 HydrophobicContact CG-CE1 4.36Å; L36-F105 HydrophobicContact CG-CE2 4.49Å; L36-F105 HydrophobicContact CG-CZ 4.32Å
37Q93.1Very high95.1Very high145 Ų14552.4 Ų52.468%0.67826%0.257SS*.  trans-75.861.1179.5-163.4-176.110.900112R103Q37-R103 VanDerWaalsContact O-CD 3.25Å; Q37-R103 WeakPolarHBondContact O-CD 3.5Å; Q37-R103 VanDerWaalsContact O-CZ 3.3Å; Q37-R103 PolarHBondContact O-NE 3.17Å; Q37-R103 PolarHBondContact O-NH1 2.79Å
38F94.1Very high95.3Very high18 Ų1848 Ų488%0.07924%0.238CC..  trans-143139.3-177.6-171.4-101.7000110.9Y31 L36 L40 I99Y31-F38 WeakPolarHBondContact CB-O 3.4Å; Y31-F38 PolarHBondContact N-O 2.81Å; L36-F38 HydrophobicContact CD1-CB 4.39Å; L36-F38 HydrophobicContact CD2-CB 3.91Å; L36-F38 HydrophobicContact CG-CB 3.78Å; L36-F38 PolarHBondContact O-N 3.46Å; F38-L40 HydrophobicContact CD1-CB 4.42Å; F38-L40 HydrophobicContact CE1-CB 4.07Å; F38-L40 HydrophobicContact CE1-CD1 4.11Å; F38-I99 HydrophobicContact CD1-CD1 4.32Å; F38-I99 HydrophobicContact CD1-CG1 4.3Å; F38-I99 HydrophobicContact CD2-CG1 4.27Å; F38-I99 HydrophobicContact CD2-CG2 4.35Å; F38-I99 HydrophobicContact CE1-CD1 4.26Å; F38-I99 HydrophobicContact CE1-CG1 3.97Å; F38-I99 HydrophobicContact CE2-CG1 3.95Å; F38-I99 HydrophobicContact CG-CG1 4.45Å; F38-I99 HydrophobicContact CZ-CG1 3.79Å
39K95.4Very high95.4Very high82 Ų8245.3 Ų45.336%0.35722%0.223SC..EExtended strand (participates in β ladder)trans-108.9118.9171.9-69.5178.5178.5-177.30108.1L28 I29 D30 F41L28-K39 HydrophobicContact CD1-CB 4.03Å; L28-K39 HydrophobicContact CD1-CD 3.99Å; L28-K39 HydrophobicContact CD1-CG 4Å; I29-K39 WeakPolarHBondContact O-CA 3.47Å; D30-K39 HydrophobicContact CB-CG 4.11Å; D30-K39 WeakPolarHBondContact OD2-CE 3.49Å; K39-F41 HydrophobicContact CB-CD2 4.11Å; K39-F41 HydrophobicContact CB-CE2 3.41Å; K39-F41 VanDerWaalsContact CB-CE2 3.41Å; K39-F41 HydrophobicContact CB-CZ 3.95Å; K39-F41 HydrophobicContact CD-CE2 4.2Å; K39-F41 HydrophobicContact CD-CZ 3.98Å; K39-F41 HydrophobicContact CG-CE2 4.46Å; K39-F41 WeakPolarHBondContact O-CD2 3.49Å
40L96.4Very high95.5Very high38 Ų3843 Ų4320%0.19921%0.211CC..EExtended strand (participates in β ladder)trans-89.9111.7174.8-179.566.8000108.7L23 L28 I29 Y31 F38 V45L23-L40 HydrophobicContact CD2-CD2 4.11Å; L23-L40 HydrophobicContact CD2-CG 4.36Å; L28-L40 CarbonylContact C-O 3.44Å; L28-L40 WeakPolarHBondContact CA-O 3.48Å; L28-L40 VanDerWaalsContact CB-O 3.28Å; L28-L40 WeakPolarHBondContact CB-O 3.49Å; I29-L40 PolarHBondContact N-O 3.08Å; I29-L40 PolarHBondContact O-N 2.83Å; Y31-L40 HydrophobicContact CD2-CB 4.37Å; Y31-L40 HydrophobicContact CE2-CB 3.8Å; Y31-L40 HydrophobicContact CE2-CD2 4.26Å; F38-L40 HydrophobicContact CD1-CB 4.42Å; F38-L40 HydrophobicContact CE1-CB 4.07Å; F38-L40 HydrophobicContact CE1-CD1 4.11Å; L40-V45 HydrophobicContact CD1-CG2 3.68Å; L40-V45 HydrophobicContact CG-CG2 4.12Å
41F97.3Very high95.6Very high2 Ų240 Ų401%0.00920%0.195CC..EExtended strand (participates in β ladder)trans-95.9137.5179.4-70.3-91.5000111.8L28 K39 C43 E44 V45 E75 R77 H78L28-F41 HydrophobicContact CB-CD1 3.69Å; L28-F41 HydrophobicContact CB-CE1 3.93Å; L28-F41 HydrophobicContact CB-CG 4.12Å; L28-F41 HydrophobicContact CD1-CE1 4.36Å; L28-F41 HydrophobicContact CD1-CZ 4.34Å; L28-F41 HydrophobicContact CD2-CD1 4.14Å; L28-F41 HydrophobicContact CD2-CE1 3.65Å; L28-F41 HydrophobicContact CD2-CZ 4.36Å; L28-F41 HydrophobicContact CG-CD1 4.43Å; L28-F41 HydrophobicContact CG-CE1 4.18Å; K39-F41 HydrophobicContact CB-CD2 4.11Å; K39-F41 HydrophobicContact CB-CE2 3.41Å; K39-F41 VanDerWaalsContact CB-CE2 3.41Å; K39-F41 HydrophobicContact CB-CZ 3.95Å; K39-F41 HydrophobicContact CD-CE2 4.2Å; K39-F41 HydrophobicContact CD-CZ 3.98Å; K39-F41 HydrophobicContact CG-CE2 4.46Å; K39-F41 WeakPolarHBondContact O-CD2 3.49Å; F41-C43 VanDerWaalsContact C-N 3.31Å; F41-C43 PolarHBondContact O-N 3.4Å; F41-E44 HydrophobicContact CB-CB 4.11Å; F41-E44 HydrophobicContact CB-CG 3.93Å; F41-E44 PolarHBondContact O-N 3.23Å; F41-E44 VanDerWaalsContact O-N 3.1Å; F41-V45 WeakPolarHBondContact O-CG2 3.49Å; F41-V45 PolarHBondContact O-N 3.11Å; F41-E75 HydrophobicContact CE1-CG 4.14Å; F41-E75 HydrophobicContact CZ-CG 3.93Å; F41-E75 WeakPolarHBondContact CZ-OE1 3.47Å; F41-R77 VanDerWaalsContact CD2-NH2 3.32Å; F41-H78 AromaticContact CD1-CE1 3.56Å; F41-H78 AromaticContact CE1-CE1 3.87Å; F41-H78 AromaticContact CG-CE1 3.8Å; F41-H78 AromaticContact CG-NE2 3.83Å
42A97.3Very high95.7Very high1 Ų137.1 Ų37.11%0.00818%0.184CC..Hα-helixtrans-58-42.3175.800000112.2L20 L23 Q27 E44 V45 L46 M72L20-A42 HydrophobicContact CD1-CB 4.03Å; L23-A42 VanDerWaalsContact CD1-CA 3.5Å; L23-A42 HydrophobicContact CD1-CB 3.72Å; Q27-A42 PolarHBondContact O-N 3.28Å; A42-E44 VanDerWaalsContact C-N 3.31Å; A42-E44 PolarHBondContact O-N 3.06Å; A42-V45 PolarHBondContact O-N 3.07Å; A42-L46 WeakPolarHBondContact O-CG 3.48Å; A42-L46 PolarHBondContact O-N 2.75Å; A42-M72 HydrophobicContact CB-CE 3.39Å; A42-M72 HydrophobicContact CB-SD 3.89Å
43C97.5Very high96Very high0 Ų030.5 Ų30.50%016%0.155CC..Hα-helixtrans-64.3-33.4176.856.80000112.9F41 Y47 A69 M72 H78 I81F41-C43 VanDerWaalsContact C-N 3.31Å; F41-C43 PolarHBondContact O-N 3.4Å; C43-Y47 WeakPolarHBondContact O-CB 3.49Å; C43-Y47 PolarHBondContact O-N 3.04Å; C43-A69 HydrophobicContact CB-CB 4.39Å; C43-A69 WeakPolarHBondContact CB-O 3.41Å; C43-M72 HydrophobicContact CB-CB 3.93Å; C43-M72 WeakPolarHBondContact CB-O 3.44Å; C43-M72 PolarHBondContact SG-O 3.49Å; C43-H78 VanDerWaalsContact SG-CE1 3.52Å; C43-H78 PolarHBondContact SG-ND1 3.46Å; C43-I81 HydrophobicContact CB-CD1 3.75Å
44E97.3Very high96.4Very high7 Ų723.1 Ų23.13%0.03312%0.118CC..Hα-helixtrans-73.6-31.2175-66-171.8145.400112F41 A42 N48 R77 H78 K80 V97F41-E44 HydrophobicContact CB-CB 4.11Å; F41-E44 HydrophobicContact CB-CG 3.93Å; F41-E44 PolarHBondContact O-N 3.23Å; F41-E44 VanDerWaalsContact O-N 3.1Å; A42-E44 VanDerWaalsContact C-N 3.31Å; A42-E44 PolarHBondContact O-N 3.06Å; E44-N48 PolarHBondContact O-N 2.73Å; E44-N48 VanDerWaalsContact O-N 3.16Å; E44-R77 IonicContact OE1-CZ 2.82Å; E44-R77 IonicContact OE1-NE 2.73Å; E44-R77 PolarHBondContact OE1-NE 3.37Å; E44-R77 IonicContact OE1-NH2 3.5Å; E44-R77 PolarHBondContact OE1-NH2 2.74Å; E44-R77 IonicContact OE2-NH2 3.07Å; E44-R77 PolarHBondContact OE2-NH2 3.45Å; E44-H78 IonicContact OE1-CD2 3.6Å; E44-H78 IonicContact OE1-NE2 3.16Å; E44-K80 IonicContact OE1-NZ 2.7Å; E44-K80 PolarHBondContact OE1-NZ 3.03Å; E44-V97 HydrophobicContact CB-CB 4.42Å; E44-V97 HydrophobicContact CB-CG1 4.2Å; E44-V97 HydrophobicContact CB-CG2 4.25Å; E44-V97 HydrophobicContact CG-CG1 4.47Å; E44-V97 HydrophobicContact CG-CG2 4.32Å
45V97.6Very high96.7Very high3 Ų320.9 Ų20.92%0.01810%0.104CC..Hα-helixtrans-67.8-49.4171.6177.90000110.6L16 L20 L23 L40 F41 A42 Y47 N48 I49L16-V45 HydrophobicContact CB-CG1 4.36Å; L16-V45 HydrophobicContact CD2-CG1 4.31Å; L16-V45 VanDerWaalsContact O-CG1 3.26Å; L16-V45 WeakPolarHBondContact O-CG1 3.45Å; L20-V45 HydrophobicContact CB-CG1 4Å; L23-V45 HydrophobicContact CD1-CG2 4.37Å; L40-V45 HydrophobicContact CD1-CG2 3.68Å; L40-V45 HydrophobicContact CG-CG2 4.12Å; F41-V45 WeakPolarHBondContact O-CG2 3.49Å; F41-V45 PolarHBondContact O-N 3.11Å; A42-V45 PolarHBondContact O-N 3.07Å; V45-Y47 VanDerWaalsContact C-N 3.29Å; V45-Y47 PolarHBondContact O-N 3.5Å; V45-N48 WeakPolarHBondContact O-CB 3.36Å; V45-N48 PolarHBondContact O-N 3.16Å; V45-N48 VanDerWaalsContact O-N 3.08Å; V45-I49 HydrophobicContact CG1-CD1 4.2Å; V45-I49 WeakPolarHBondContact O-CG1 3.35Å; V45-I49 PolarHBondContact O-N 3.42Å
46L97.9Very high96.9Very high4 Ų422.9 Ų22.92%0.02111%0.105CC..Hα-helixtrans-58.3-41.6176.4-75.2164.7000112L20 A42 N48 I49 A50 L68 A69 M72L20-L46 HydrophobicContact CD1-CG 4.27Å; L20-L46 HydrophobicContact CD2-CD2 3.58Å; L20-L46 HydrophobicContact CD2-CG 4.03Å; A42-L46 WeakPolarHBondContact O-CG 3.48Å; A42-L46 PolarHBondContact O-N 2.75Å; L46-N48 VanDerWaalsContact C-N 3.33Å; L46-N48 PolarHBondContact O-N 3.08Å; L46-I49 PolarHBondContact O-N 3.29Å; L46-A50 PolarHBondContact O-N 3.1Å; L46-L68 HydrophobicContact CD1-CB 3.91Å; L46-L68 HydrophobicContact CD2-CB 4.18Å; L46-L68 HydrophobicContact CD2-CD1 4.31Å; L46-A69 HydrophobicContact CB-CB 3.69Å; L46-A69 HydrophobicContact CD1-CB 4.38Å; L46-M72 HydrophobicContact CD1-SD 3.74Å
47Y98.1Very high97Very high13 Ų1329.7 Ų29.75%0.05114%0.137CC..Hα-helixtrans-56.5-44.1173.1177.5-88.9000112.7C43 V45 A50 L51 L66 K80 I81 A84 F94 E95 V97C43-Y47 WeakPolarHBondContact O-CB 3.49Å; C43-Y47 PolarHBondContact O-N 3.04Å; V45-Y47 VanDerWaalsContact C-N 3.29Å; V45-Y47 PolarHBondContact O-N 3.5Å; Y47-A50 WeakPolarHBondContact O-CB 3.2Å; Y47-A50 PolarHBondContact O-N 3.39Å; Y47-L51 PolarHBondContact O-N 3.4Å; Y47-L51 VanDerWaalsContact O-N 3.1Å; Y47-L66 HydrophobicContact CD2-CD2 3.87Å; Y47-K80 HydrophobicContact CE2-CG 4.36Å; Y47-I81 HydrophobicContact CD2-CB 4.5Å; Y47-I81 HydrophobicContact CD2-CG1 3.85Å; Y47-I81 HydrophobicContact CE2-CG1 4.48Å; Y47-A84 HydrophobicContact CD2-CB 3.99Å; Y47-A84 HydrophobicContact CE2-CB 3.31Å; Y47-F94 AromaticContact CD1-CE2 3.93Å; Y47-F94 HydrophobicContact CD1-CE2 3.93Å; Y47-F94 HydrophobicContact CD2-CE2 4.05Å; Y47-F94 AromaticContact CE1-CD2 3.64Å; Y47-F94 HydrophobicContact CE1-CD2 3.64Å; Y47-F94 AromaticContact CE1-CE2 3.49Å; Y47-F94 HydrophobicContact CE1-CE2 3.49Å; Y47-F94 VanDerWaalsContact CE1-CE2 3.49Å; Y47-F94 AromaticContact CE2-CD2 3.89Å; Y47-F94 HydrophobicContact CE2-CD2 3.89Å; Y47-F94 AromaticContact CE2-CE2 3.68Å; Y47-F94 HydrophobicContact CE2-CE2 3.68Å; Y47-F94 HydrophobicContact CE2-CZ 4.39Å; Y47-F94 HydrophobicContact CG-CE2 4.2Å; Y47-F94 AromaticContact CZ-CD2 3.25Å; Y47-F94 AromaticContact CZ-CE2 3.34Å; Y47-F94 WeakPolarHBondContact OH-CD2 3.45Å; Y47-E95 VanDerWaalsContact CE1-O 3.23Å; Y47-E95 WeakPolarHBondContact CE1-O 3.27Å; Y47-E95 PolarHBondContact OH-O 3.07Å; Y47-V97 HydrophobicContact CD1-CG2 3.8Å; Y47-V97 HydrophobicContact CE1-CG2 3.96Å
48N98.1Very high97.3Very high11 Ų1125 Ų256%0.05912%0.115CC..Hα-helixtrans-68.7-37176.3-77.5-12.6000112.4L16 E44 V45 L46 A50 L51 M52 V97L16-N48 HydrophobicContact CD1-CB 3.86Å; L16-N48 HydrophobicContact CD2-CB 4.06Å; E44-N48 PolarHBondContact O-N 2.73Å; E44-N48 VanDerWaalsContact O-N 3.16Å; V45-N48 WeakPolarHBondContact O-CB 3.36Å; V45-N48 PolarHBondContact O-N 3.16Å; V45-N48 VanDerWaalsContact O-N 3.08Å; L46-N48 VanDerWaalsContact C-N 3.33Å; L46-N48 PolarHBondContact O-N 3.08Å; N48-A50 VanDerWaalsContact C-N 3.32Å; N48-L51 WeakPolarHBondContact O-CB 3.36Å; N48-L51 PolarHBondContact O-N 2.9Å; N48-M52 WeakPolarHBondContact O-CG 3.33Å; N48-M52 PolarHBondContact O-N 3.18Å; N48-M52 VanDerWaalsContact O-N 3.08Å; N48-V97 PolarHBondContact ND2-O 3.03Å; N48-V97 PolarHBondContact OD1-N 3.17Å
49I98Very high97.4Very high0 Ų026.6 Ų26.60%012%0.121CC..Hα-helixtrans-61.8-44.1174.6-62.6169.3000109.8I13 L16 K17 L20 V45 L46 L51 M52 H53 Q65I13-I49 HydrophobicContact CG2-CG2 4.48Å; L16-I49 HydrophobicContact CB-CD1 4.06Å; L16-I49 HydrophobicContact CB-CG1 3.48Å; L16-I49 VanDerWaalsContact CB-CG1 3.48Å; L16-I49 HydrophobicContact CD1-CG1 4.07Å; L16-I49 HydrophobicContact CG-CG1 4.37Å; K17-I49 HydrophobicContact CG-CD1 4.01Å; L20-I49 HydrophobicContact CD2-CD1 4.37Å; V45-I49 HydrophobicContact CG1-CD1 4.2Å; V45-I49 WeakPolarHBondContact O-CG1 3.35Å; V45-I49 PolarHBondContact O-N 3.42Å; L46-I49 PolarHBondContact O-N 3.29Å; I49-L51 VanDerWaalsContact C-N 3.3Å; I49-L51 PolarHBondContact O-N 2.97Å; I49-M52 PolarHBondContact O-N 3.16Å; I49-M52 VanDerWaalsContact O-N 3.11Å; I49-H53 PolarHBondContact O-N 3.25Å; I49-Q65 HydrophobicContact CB-CG 4.46Å; I49-Q65 HydrophobicContact CG2-CG 3.86Å
50A98.3Very high97.5Very high0 Ų030 Ų300%014%0.135CC..Hα-helixtrans-57.3-44.417600000112L46 Y47 N48 M52 H53 A54 A62 Q65 L66 F94L46-A50 PolarHBondContact O-N 3.1Å; Y47-A50 WeakPolarHBondContact O-CB 3.2Å; Y47-A50 PolarHBondContact O-N 3.39Å; N48-A50 VanDerWaalsContact C-N 3.32Å; A50-M52 VanDerWaalsContact C-N 3.32Å; A50-M52 PolarHBondContact O-N 3.06Å; A50-H53 PolarHBondContact O-N 2.7Å; A50-A54 WeakPolarHBondContact O-CB 3.48Å; A50-A54 PolarHBondContact O-N 3.05Å; A50-A62 HydrophobicContact CB-CB 4.38Å; A50-A62 WeakPolarHBondContact CB-O 3.31Å; A50-A62 VanDerWaalsContact O-CB 3.25Å; A50-A62 WeakPolarHBondContact O-CB 3.3Å; A50-Q65 HydrophobicContact CB-CB 3.81Å; A50-L66 HydrophobicContact CB-CD1 4.35Å; A50-L66 HydrophobicContact CB-CD2 3.75Å; A50-L66 HydrophobicContact CB-CG 3.56Å; A50-F94 HydrophobicContact CB-CZ 4.32Å
51L98.1Very high97.6Very high0 Ų032.6 Ų32.60%015%0.145CC..Hα-helixtrans-60.3-40.8175.7-178.160.9000112.3Y47 N48 I49 H53 A54 K55 L93 F94 P96Y47-L51 PolarHBondContact O-N 3.4Å; Y47-L51 VanDerWaalsContact O-N 3.1Å; N48-L51 WeakPolarHBondContact O-CB 3.36Å; N48-L51 PolarHBondContact O-N 2.9Å; I49-L51 VanDerWaalsContact C-N 3.3Å; I49-L51 PolarHBondContact O-N 2.97Å; L51-H53 VanDerWaalsContact C-N 3.33Å; L51-H53 PolarHBondContact O-N 3.32Å; L51-A54 PolarHBondContact O-N 3.4Å; L51-K55 HydrophobicContact CD1-CG 4.49Å; L51-K55 WeakPolarHBondContact O-CB 3.25Å; L51-K55 WeakPolarHBondContact O-CG 3.4Å; L51-K55 PolarHBondContact O-N 3.02Å; L51-L93 HydrophobicContact CD1-CD2 4.34Å; L51-F94 HydrophobicContact CB-CD2 4.39Å; L51-F94 HydrophobicContact CB-CE2 3.65Å; L51-F94 HydrophobicContact CB-CZ 3.88Å; L51-F94 HydrophobicContact CD1-CD2 4.04Å; L51-F94 HydrophobicContact CD1-CE2 4.07Å; L51-F94 HydrophobicContact CD1-CG 4.32Å; L51-F94 HydrophobicContact CD1-CZ 4.31Å; L51-F94 WeakPolarHBondContact CD1-O 3.36Å; L51-F94 HydrophobicContact CG-CE2 4.28Å; L51-P96 HydrophobicContact CD2-CB 3.61Å; L51-P96 HydrophobicContact CD2-CG 4.14Å
52M97.9Very high97.6Very high0 Ų032.5 Ų32.50%014%0.144CC..Hα-helixtrans-65.4-38.3178.6-60.8-53.59100111.5M1 Y4 Y9 A12 I13 L16 N48 I49 A50 K55 K56M1-M52 HydrophobicContact CE-CE 4.09Å; Y4-M52 HydrophobicContact CD2-CE 3.39Å; Y4-M52 HydrophobicContact CD2-SD 3.66Å; Y4-M52 HydrophobicContact CE2-CE 3.82Å; Y4-M52 HydrophobicContact CG-CE 4.04Å; Y4-M52 HydrophobicContact CG-SD 4.21Å; Y9-M52 HydrophobicContact CD1-SD 4.17Å; A12-M52 HydrophobicContact CB-CG 4.09Å; A12-M52 HydrophobicContact CB-SD 3.75Å; I13-M52 HydrophobicContact CD1-CB 3.81Å; I13-M52 HydrophobicContact CG1-CB 3.37Å; I13-M52 HydrophobicContact CG1-CG 4.01Å; L16-M52 HydrophobicContact CD1-CG 3.94Å; N48-M52 WeakPolarHBondContact O-CG 3.33Å; N48-M52 PolarHBondContact O-N 3.18Å; N48-M52 VanDerWaalsContact O-N 3.08Å; I49-M52 PolarHBondContact O-N 3.16Å; I49-M52 VanDerWaalsContact O-N 3.11Å; A50-M52 VanDerWaalsContact C-N 3.32Å; A50-M52 PolarHBondContact O-N 3.06Å; M52-K55 PolarHBondContact O-N 2.96Å; M52-K56 WeakPolarHBondContact O-CG 3.38Å; M52-K56 PolarHBondContact O-N 3.32Å
53H98.1Very high97.6Very high12 Ų1236.2 Ų36.26%0.05616%0.162CC..Hα-helixtrans-64.9-42.3172.3-79.8-57.4000111.9I49 A50 L51 K55 K56 E57 E58 K61 A62I49-H53 PolarHBondContact O-N 3.25Å; A50-H53 PolarHBondContact O-N 2.7Å; L51-H53 VanDerWaalsContact C-N 3.33Å; L51-H53 PolarHBondContact O-N 3.32Å; H53-K55 VanDerWaalsContact C-N 3.33Å; H53-K55 PolarHBondContact O-N 3.42Å; H53-K56 CarbonylContact O-C 2.92Å; H53-K56 WeakPolarHBondContact O-CA 3.46Å; H53-K56 WeakPolarHBondContact O-CB 3.2Å; H53-K56 PolarHBondContact O-N 3.11Å; H53-E57 PolarHBondContact O-N 3.07Å; H53-E58 HydrophobicContact CB-CB 4.17Å; H53-E58 IonicContact CE1-OE2 3.32Å; H53-E58 PolarHBondContact CE1-OE2 3.44Å; H53-E58 IonicContact CG-OE2 3.64Å; H53-E58 IonicContact ND1-OE2 3.05Å; H53-E58 PolarHBondContact ND1-OE2 3.13Å; H53-E58 WeakPolarHBondContact O-CB 3.43Å; H53-E58 PolarHBondContact O-N 3.01Å; H53-K61 HydrophobicContact CB-CB 4.11Å; H53-A62 HydrophobicContact CB-CB 4Å
54A97.6Very high97.6Very high2 Ų240.8 Ų40.82%0.01718%0.183CC..Hα-helixtrans-62.3-38.417600000112.4A50 L51 K56 E57 W59 A62 I88 L93A50-A54 WeakPolarHBondContact O-CB 3.48Å; A50-A54 PolarHBondContact O-N 3.05Å; L51-A54 PolarHBondContact O-N 3.4Å; A54-K56 PolarHBondContact O-N 3.1Å; A54-E57 WeakPolarHBondContact O-CA 3.31Å; A54-E57 PolarHBondContact O-N 2.94Å; A54-W59 HydrophobicContact CB-CE3 4.13Å; A54-W59 HydrophobicContact CB-CH2 4.41Å; A54-W59 HydrophobicContact CB-CZ3 3.76Å; A54-A62 HydrophobicContact CB-CB 4.11Å; A54-I88 HydrophobicContact CB-CD1 3.57Å; A54-L93 HydrophobicContact CB-CD2 3.75Å
55K96.5Very high97.7Very high67 Ų6742 Ų4229%0.29119%0.189SC..Hα-helixtrans-63.1-23.5173.1-76.8-75.6-176.2177.10113.4Y4 Y9 L51 M52 H53 L93Y4-K55 HydrophobicContact CE2-CG 4.36Å; Y9-K55 HydrophobicContact CD1-CB 4.02Å; Y9-K55 HydrophobicContact CE1-CB 3.84Å; Y9-K55 HydrophobicContact CE1-CD 4.35Å; Y9-K55 HydrophobicContact CE1-CG 4.09Å; Y9-K55 HydrophobicContact CE2-CB 4.36Å; Y9-K55 HydrophobicContact CG-CB 4.36Å; L51-K55 HydrophobicContact CD1-CG 4.49Å; L51-K55 WeakPolarHBondContact O-CB 3.25Å; L51-K55 WeakPolarHBondContact O-CG 3.4Å; L51-K55 PolarHBondContact O-N 3.02Å; M52-K55 PolarHBondContact O-N 2.96Å; H53-K55 VanDerWaalsContact C-N 3.33Å; H53-K55 PolarHBondContact O-N 3.42Å; K55-L93 HydrophobicContact CD-CD1 3.81Å; K55-L93 HydrophobicContact CD-CD2 4.27Å; K55-L93 HydrophobicContact CG-CD2 4.33Å
56K96.9Very high97.7Very high66 Ų6641.8 Ų41.829%0.28719%0.188SC..THydrogen-bonded Turntrans-94.28.8172.6-65.4177.368.1-158.40113.1Y9 D10 I13 M52 H53 A54 E58Y9-K56 HydrophobicContact CD2-CG 4.05Å; Y9-K56 HydrophobicContact CG-CG 4.2Å; D10-K56 WeakPolarHBondContact OD1-CE 3.37Å; D10-K56 IonicContact OD1-NZ 3.06Å; D10-K56 PolarHBondContact OD1-NZ 3.42Å; D10-K56 IonicContact OD2-NZ 2.71Å; I13-K56 HydrophobicContact CD1-CD 4.03Å; M52-K56 WeakPolarHBondContact O-CG 3.38Å; M52-K56 PolarHBondContact O-N 3.32Å; H53-K56 CarbonylContact O-C 2.92Å; H53-K56 WeakPolarHBondContact O-CA 3.46Å; H53-K56 WeakPolarHBondContact O-CB 3.2Å; H53-K56 PolarHBondContact O-N 3.11Å; A54-K56 PolarHBondContact O-N 3.1Å; K56-E58 HydrophobicContact CB-CG 3.99Å; K56-E58 IonicContact NZ-OE1 3.72Å; K56-E58 IonicContact NZ-OE2 3.87Å; K56-E58 PolarHBondContact NZ-OE2 3.3Å; K56-E58 PolarHBondContact O-N 3.06Å; K56-E58 VanDerWaalsContact O-N 3.12Å
57E96.4Very high97.7Very high153 Ų15343.7 Ų43.772%0.71520%0.204SC*.THydrogen-bonded Turntrans60.317.4-174.7-52.4-178.1163.200113.9H53 A54 W59H53-E57 PolarHBondContact O-N 3.07Å; A54-E57 WeakPolarHBondContact O-CA 3.31Å; A54-E57 PolarHBondContact O-N 2.94Å; E57-W59 PolarHBondContact O-N 3.41Å; E57-W59 PolarHBondContact O-NE1 3.5Å
58E97.7Very high97.6Very high46 Ų4647.3 Ų47.322%0.21522%0.224CC..  trans-84.959.5177-60.4-178.8120.200110.4H53 K56 K60 K61 A62H53-E58 HydrophobicContact CB-CB 4.17Å; H53-E58 IonicContact CE1-OE2 3.32Å; H53-E58 PolarHBondContact CE1-OE2 3.44Å; H53-E58 IonicContact CG-OE2 3.64Å; H53-E58 IonicContact ND1-OE2 3.05Å; H53-E58 PolarHBondContact ND1-OE2 3.13Å; H53-E58 WeakPolarHBondContact O-CB 3.43Å; H53-E58 PolarHBondContact O-N 3.01Å; K56-E58 HydrophobicContact CB-CG 3.99Å; K56-E58 IonicContact NZ-OE1 3.72Å; K56-E58 IonicContact NZ-OE2 3.87Å; K56-E58 PolarHBondContact NZ-OE2 3.3Å; K56-E58 PolarHBondContact O-N 3.06Å; K56-E58 VanDerWaalsContact O-N 3.12Å; E58-K60 VanDerWaalsContact C-N 3.33Å; E58-K60 PolarHBondContact O-N 3.24Å; E58-K61 HydrophobicContact CB-CB 4.25Å; E58-K61 HydrophobicContact CB-CD 4.16Å; E58-K61 HydrophobicContact CB-CG 4.41Å; E58-K61 PolarHBondContact O-N 3.49Å; E58-K61 IonicContact OE1-NZ 3.93Å; E58-K61 PolarHBondContact OE1-NZ 3.26Å; E58-A62 PolarHBondContact O-N 3.4Å
59W97.5Very high97.5Very high52 Ų5246.8 Ų46.820%0.19722%0.221CC..Hα-helixtrans-56.1-40.7-170.2-57105.1000114.3A54 E57 K61 A62 E63 I88 Q91 L93A54-W59 HydrophobicContact CB-CE3 4.13Å; A54-W59 HydrophobicContact CB-CH2 4.41Å; A54-W59 HydrophobicContact CB-CZ3 3.76Å; E57-W59 PolarHBondContact O-N 3.41Å; E57-W59 PolarHBondContact O-NE1 3.5Å; W59-K61 VanDerWaalsContact C-N 3.35Å; W59-K61 PolarHBondContact O-N 3.29Å; W59-A62 WeakPolarHBondContact O-CB 3.34Å; W59-A62 PolarHBondContact O-N 3.21Å; W59-A62 VanDerWaalsContact O-N 3.16Å; W59-E63 PolarHBondContact O-N 3.49Å; W59-I88 HydrophobicContact CE3-CD1 3.85Å; W59-I88 HydrophobicContact CE3-CG2 4.43Å; W59-I88 HydrophobicContact CZ3-CD1 3.86Å; W59-Q91 HydrophobicContact CD2-CB 4.07Å; W59-Q91 HydrophobicContact CD2-CG 3.92Å; W59-Q91 HydrophobicContact CE3-CB 4.3Å; W59-Q91 HydrophobicContact CE3-CG 4.42Å; W59-Q91 HydrophobicContact CG-CG 4.11Å; W59-Q91 HydrophobicContact CH2-CB 4.04Å; W59-Q91 WeakPolarHBondContact CH2-O 3.28Å; W59-Q91 HydrophobicContact CZ2-CB 3.77Å; W59-Q91 HydrophobicContact CZ2-CG 4.43Å; W59-Q91 HydrophobicContact CZ3-CB 4.29Å; W59-L93 HydrophobicContact CH2-CD2 4.14Å; W59-L93 HydrophobicContact CZ3-CD2 4.49Å
60K96.9Very high97.4Very high154 Ų15449 Ų4967%0.6724%0.235SC*.Hα-helixtrans-60.8-43.4177.2-175.3178177.7-179.80112E58 A62 E63 E64E58-K60 VanDerWaalsContact C-N 3.33Å; E58-K60 PolarHBondContact O-N 3.24Å; K60-A62 VanDerWaalsContact C-N 3.32Å; K60-E63 PolarHBondContact O-N 3.47Å; K60-E64 WeakPolarHBondContact O-CG 3.45Å; K60-E64 PolarHBondContact O-N 3.27Å
61K97.8Very high97.3Very high91 Ų9155.6 Ų55.640%0.39627%0.27SS..Hα-helixtrans-66.6-38.2176.1-64.8-177.6-174.4166.60110.6H53 E58 W59 E64 Q65H53-K61 HydrophobicContact CB-CB 4.11Å; E58-K61 HydrophobicContact CB-CB 4.25Å; E58-K61 HydrophobicContact CB-CD 4.16Å; E58-K61 HydrophobicContact CB-CG 4.41Å; E58-K61 PolarHBondContact O-N 3.49Å; E58-K61 IonicContact OE1-NZ 3.93Å; E58-K61 PolarHBondContact OE1-NZ 3.26Å; W59-K61 VanDerWaalsContact C-N 3.35Å; W59-K61 PolarHBondContact O-N 3.29Å; K61-E64 PolarHBondContact O-N 3.33Å; K61-Q65 VanDerWaalsContact O-CG 3.31Å; K61-Q65 WeakPolarHBondContact O-CG 3.26Å; K61-Q65 PolarHBondContact O-N 3.17Å; K61-Q65 VanDerWaalsContact O-N 3.11Å
62A98Very high97Very high0 Ų057.9 Ų57.90%028%0.281CS..Hα-helixtrans-61.5-44.2176.200000112A50 H53 A54 E58 W59 K60 Q65 L66 I88A50-A62 HydrophobicContact CB-CB 4.38Å; A50-A62 WeakPolarHBondContact CB-O 3.31Å; A50-A62 VanDerWaalsContact O-CB 3.25Å; A50-A62 WeakPolarHBondContact O-CB 3.3Å; H53-A62 HydrophobicContact CB-CB 4Å; A54-A62 HydrophobicContact CB-CB 4.11Å; E58-A62 PolarHBondContact O-N 3.4Å; W59-A62 WeakPolarHBondContact O-CB 3.34Å; W59-A62 PolarHBondContact O-N 3.21Å; W59-A62 VanDerWaalsContact O-N 3.16Å; K60-A62 VanDerWaalsContact C-N 3.32Å; A62-Q65 PolarHBondContact O-N 3.03Å; A62-L66 PolarHBondContact O-N 3.07Å; A62-I88 HydrophobicContact CB-CD1 3.78Å; A62-I88 HydrophobicContact CB-CG1 4.23Å; A62-I88 HydrophobicContact CB-CG2 4.38Å
63E97.8Very high96.8Very high79 Ų7961.1 Ų61.137%0.36930%0.295SS..Hα-helixtrans-60-48.3175.5-179.4173.8-154.200111.9W59 K60 Q65 L66 A67 M85 I88 W89W59-E63 PolarHBondContact O-N 3.49Å; K60-E63 PolarHBondContact O-N 3.47Å; E63-Q65 VanDerWaalsContact C-N 3.28Å; E63-Q65 PolarHBondContact O-N 3.41Å; E63-L66 PolarHBondContact O-N 3.3Å; E63-L66 VanDerWaalsContact O-N 3.11Å; E63-A67 PolarHBondContact O-N 3.03Å; E63-M85 HydrophobicContact CG-SD 3.98Å; E63-I88 HydrophobicContact CB-CG2 4.06Å; E63-W89 PolarHBondContact OE1-NE1 3.39Å
64E97.9Very high96.5Very high97 Ų9763 Ų6345%0.45331%0.309SS..Hα-helixtrans-55.6-43.1176.8-72.2168-17200111.6K60 K61 A67 L68K60-E64 WeakPolarHBondContact O-CG 3.45Å; K60-E64 PolarHBondContact O-N 3.27Å; K61-E64 PolarHBondContact O-N 3.33Å; E64-A67 PolarHBondContact O-N 3.19Å; E64-L68 WeakPolarHBondContact O-CG 3.48Å; E64-L68 PolarHBondContact O-N 3.2Å
65Q98.1Very high96.2Very high31 Ų3165.5 Ų65.515%0.14532%0.32CS..Hα-helixtrans-68-38.3177.4-63.8-54.2-63.800112.8I49 A50 K61 A62 E63 A67 L68 A69I49-Q65 HydrophobicContact CB-CG 4.46Å; I49-Q65 HydrophobicContact CG2-CG 3.86Å; A50-Q65 HydrophobicContact CB-CB 3.81Å; K61-Q65 VanDerWaalsContact O-CG 3.31Å; K61-Q65 WeakPolarHBondContact O-CG 3.26Å; K61-Q65 PolarHBondContact O-N 3.17Å; K61-Q65 VanDerWaalsContact O-N 3.11Å; A62-Q65 PolarHBondContact O-N 3.03Å; E63-Q65 VanDerWaalsContact C-N 3.28Å; E63-Q65 PolarHBondContact O-N 3.41Å; Q65-A67 VanDerWaalsContact C-N 3.35Å; Q65-L68 PolarHBondContact O-N 3.15Å; Q65-A69 PolarHBondContact O-N 3.22Å
66L97.8Very high96Very high0 Ų068.1 Ų68.10%035%0.345CS..Hα-helixtrans-70.4-30.4175.6-71.7177.5000112.9Y47 A50 A62 E63 A69 T70 I81 A84 M85 I88 F94Y47-L66 HydrophobicContact CD2-CD2 3.87Å; A50-L66 HydrophobicContact CB-CD1 4.35Å; A50-L66 HydrophobicContact CB-CD2 3.75Å; A50-L66 HydrophobicContact CB-CG 3.56Å; A62-L66 PolarHBondContact O-N 3.07Å; E63-L66 PolarHBondContact O-N 3.3Å; E63-L66 VanDerWaalsContact O-N 3.11Å; L66-A69 PolarHBondContact O-N 2.9Å; L66-T70 WeakPolarHBondContact O-CB 3.11Å; L66-T70 PolarHBondContact O-N 3.15Å; L66-T70 PolarHBondContact O-OG1 2.85Å; L66-I81 HydrophobicContact CD2-CG2 4.28Å; L66-A84 HydrophobicContact CD1-CB 4.01Å; L66-A84 HydrophobicContact CD2-CB 4.12Å; L66-M85 HydrophobicContact CB-CE 3.5Å; L66-M85 VanDerWaalsContact CB-CE 3.5Å; L66-M85 HydrophobicContact CB-SD 3.92Å; L66-M85 HydrophobicContact CD1-CB 4.42Å; L66-M85 HydrophobicContact CD1-SD 4.24Å; L66-I88 HydrophobicContact CD1-CB 4.3Å; L66-I88 HydrophobicContact CD1-CG1 3.47Å; L66-I88 VanDerWaalsContact CD1-CG1 3.47Å; L66-F94 HydrophobicContact CD1-CE1 4.26Å; L66-F94 HydrophobicContact CD1-CZ 4.42Å; L66-F94 HydrophobicContact CD2-CZ 4.36Å
67A97.5Very high95.8Very high43 Ų4370 Ų7036%0.35535%0.35SS..Hα-helixtrans-64.1-44.6173.800000110.2E63 E64 Q65 A69 T70 N71 M85E63-A67 PolarHBondContact O-N 3.03Å; E64-A67 PolarHBondContact O-N 3.19Å; Q65-A67 VanDerWaalsContact C-N 3.35Å; A67-A69 PolarHBondContact O-N 3.38Å; A67-T70 WeakPolarHBondContact O-CB 3.16Å; A67-T70 PolarHBondContact O-N 2.99Å; A67-N71 PolarHBondContact O-N 3.35Å; A67-N71 PolarHBondContact O-ND2 3.38Å; A67-M85 HydrophobicContact CB-CE 4.24Å
68L96.7Very high95.8Very high90 Ų9062.7 Ų62.747%0.47132%0.316SS..Hα-helixtrans-61.3-44172-63.3174.9000111.6L46 E64 Q65 T70 N71L46-L68 HydrophobicContact CD1-CB 3.91Å; L46-L68 HydrophobicContact CD2-CB 4.18Å; L46-L68 HydrophobicContact CD2-CD1 4.31Å; E64-L68 WeakPolarHBondContact O-CG 3.48Å; E64-L68 PolarHBondContact O-N 3.2Å; Q65-L68 PolarHBondContact O-N 3.15Å; L68-T70 PolarHBondContact O-N 3.48Å; L68-N71 PolarHBondContact O-N 3.02Å
69A96.9Very high95.6Very high0 Ų063.5 Ų63.50%033%0.326CS..Hα-helixtrans-60.6-35.6178.900000112.2C43 L46 Q65 L66 A67 N71 M72 I81C43-A69 HydrophobicContact CB-CB 4.39Å; C43-A69 WeakPolarHBondContact CB-O 3.41Å; L46-A69 HydrophobicContact CB-CB 3.69Å; L46-A69 HydrophobicContact CD1-CB 4.38Å; Q65-A69 PolarHBondContact O-N 3.22Å; L66-A69 PolarHBondContact O-N 2.9Å; A67-A69 PolarHBondContact O-N 3.38Å; A69-N71 VanDerWaalsContact C-N 3.32Å; A69-N71 PolarHBondContact O-N 3.28Å; A69-M72 PolarHBondContact O-N 3.41Å; A69-M72 VanDerWaalsContact O-N 3.13Å; A69-I81 HydrophobicContact CB-CD1 4.08Å; A69-I81 HydrophobicContact CB-CG2 4.03Å
70T96Very high95.5Very high47 Ų4763.7 Ų63.729%0.28833%0.329SS..Hα-helixtrans-63.4-37.3179.9-65.90000112.7L66 A67 L68 M72 K73 I81L66-T70 WeakPolarHBondContact O-CB 3.11Å; L66-T70 PolarHBondContact O-N 3.15Å; L66-T70 PolarHBondContact O-OG1 2.85Å; A67-T70 WeakPolarHBondContact O-CB 3.16Å; A67-T70 PolarHBondContact O-N 2.99Å; L68-T70 PolarHBondContact O-N 3.48Å; T70-M72 PolarHBondContact O-N 3.43Å; T70-K73 WeakPolarHBondContact O-CG 3.43Å; T70-I81 WeakPolarHBondContact OG1-CG2 3.49Å
71N94.2Very high95.5Very high138 Ų13856.4 Ų56.474%0.73830%0.297SS*.Hα-helixtrans-72.9-12.4177.6-65.3-30.8000113.4A67 L68 A69A67-N71 PolarHBondContact O-N 3.35Å; A67-N71 PolarHBondContact O-ND2 3.38Å; L68-N71 PolarHBondContact O-N 3.02Å; A69-N71 VanDerWaalsContact C-N 3.32Å; A69-N71 PolarHBondContact O-N 3.28Å
72M93.7Very high95.4Very high48 Ų4855.2 Ų55.224%0.23630%0.295CS..THydrogen-bonded Turntrans-113.318.9-175.3-60-171.182.800113.2A42 C43 L46 A69 T70 S74A42-M72 HydrophobicContact CB-CE 3.39Å; A42-M72 HydrophobicContact CB-SD 3.89Å; C43-M72 HydrophobicContact CB-CB 3.93Å; C43-M72 WeakPolarHBondContact CB-O 3.44Å; C43-M72 PolarHBondContact SG-O 3.49Å; L46-M72 HydrophobicContact CD1-SD 3.74Å; A69-M72 PolarHBondContact O-N 3.41Å; A69-M72 VanDerWaalsContact O-N 3.13Å; T70-M72 PolarHBondContact O-N 3.43Å; M72-S74 PolarHBondContact O-N 3.49Å
73K93.8Very high95.3Very high68 Ų6862.1 Ų62.130%0.29633%0.325SS..  trans-68.8124177.9-68177.9-173.1168.10111.3T70 H78 I81 D82T70-K73 WeakPolarHBondContact O-CG 3.43Å; K73-H78 HydrophobicContact CB-CB 4.11Å; K73-H78 HydrophobicContact CG-CB 3.94Å; K73-I81 HydrophobicContact CG-CD1 4.06Å; K73-D82 IonicContact NZ-OD1 2.7Å; K73-D82 PolarHBondContact NZ-OD1 3.34Å; K73-D82 IonicContact NZ-OD2 3.25Å; K73-D82 PolarHBondContact NZ-OD2 2.89Å
74S90.1Very high95.2Very high50 Ų5058.4 Ų58.435%0.3531%0.308SS..  trans-113.3-26.8176.3-40.10000116.2Q27 M72 H78Q27-S74 PolarHBondContact OE1-OG 2.71Å; M72-S74 PolarHBondContact O-N 3.49Å; S74-H78 PolarHBondContact N-ND1 3.37Å
75E92.8Very high95.2Very high55 Ų5554.8 Ų54.826%0.25729%0.291SS..SBendtrans-123154.5-174.7-66.7-169.2174.500111.7F41 R77 H78F41-E75 HydrophobicContact CE1-CG 4.14Å; F41-E75 HydrophobicContact CZ-CG 3.93Å; F41-E75 WeakPolarHBondContact CZ-OE1 3.47Å; E75-R77 HydrophobicContact CB-CG 4.06Å; E75-R77 PolarHBondContact O-N 2.86Å; E75-R77 VanDerWaalsContact O-N 3.11Å; E75-R77 IonicContact OE1-NH1 3.9Å; E75-R77 WeakPolarHBondContact OE2-CD 3.47Å; E75-R77 IonicContact OE2-CZ 2.57Å; E75-R77 IonicContact OE2-NE 3.64Å; E75-R77 PolarHBondContact OE2-NE 2.91Å; E75-R77 IonicContact OE2-NH1 2.75Å; E75-R77 PolarHBondContact OE2-NH1 3.19Å; E75-H78 PolarHBondContact N-CE1 3.38Å; E75-H78 PolarHBondContact N-ND1 2.8Å; E75-H78 VanDerWaalsContact O-CB 3.27Å; E75-H78 WeakPolarHBondContact O-CB 3.18Å; E75-H78 PolarHBondContact O-N 3.46Å
76P92.2Very high95.1Very high123 Ų12358 Ų5880%0.79931%0.306SS*.G310 helixtrans-56.4-30.3178.6-26.835000114.2H78 S79P76-H78 PolarHBondContact O-N 2.82Å; P76-S79 WeakPolarHBondContact O-CB 3.25Å; P76-S79 PolarHBondContact O-N 2.91Å; P76-S79 PolarHBondContact O-OG 3.28Å
77R92.8Very high95.1Very high104 Ų10459.4 Ų59.439%0.39232%0.316SS..G310 helixtrans-64.3-17.3176.375.5-178-161.2-144.712.1113.5F41 E44 E75 S79 K80F41-R77 VanDerWaalsContact CD2-NH2 3.32Å; E44-R77 IonicContact OE1-CZ 2.82Å; E44-R77 IonicContact OE1-NE 2.73Å; E44-R77 PolarHBondContact OE1-NE 3.37Å; E44-R77 IonicContact OE1-NH2 3.5Å; E44-R77 PolarHBondContact OE1-NH2 2.74Å; E44-R77 IonicContact OE2-NH2 3.07Å; E44-R77 PolarHBondContact OE2-NH2 3.45Å; E75-R77 HydrophobicContact CB-CG 4.06Å; E75-R77 PolarHBondContact O-N 2.86Å; E75-R77 VanDerWaalsContact O-N 3.11Å; E75-R77 IonicContact OE1-NH1 3.9Å; E75-R77 WeakPolarHBondContact OE2-CD 3.47Å; E75-R77 IonicContact OE2-CZ 2.57Å; E75-R77 IonicContact OE2-NE 3.64Å; E75-R77 PolarHBondContact OE2-NE 2.91Å; E75-R77 IonicContact OE2-NH1 2.75Å; E75-R77 PolarHBondContact OE2-NH1 3.19Å; R77-S79 PolarHBondContact O-N 3.03Å; R77-K80 VanDerWaalsContact O-CG 3.32Å; R77-K80 WeakPolarHBondContact O-CG 3.48Å; R77-K80 PolarHBondContact O-N 2.96Å
78H95.3Very high95.1Very high0 Ų057.6 Ų57.60%030%0.3CS..G310 helixtrans-77.2-2.7177.9-56155.4000113.2F41 C43 E44 K73 S74 E75 P76 K80 I81F41-H78 AromaticContact CD1-CE1 3.56Å; F41-H78 AromaticContact CE1-CE1 3.87Å; F41-H78 AromaticContact CG-CE1 3.8Å; F41-H78 AromaticContact CG-NE2 3.83Å; C43-H78 VanDerWaalsContact SG-CE1 3.52Å; C43-H78 PolarHBondContact SG-ND1 3.46Å; E44-H78 IonicContact OE1-CD2 3.6Å; E44-H78 IonicContact OE1-NE2 3.16Å; K73-H78 HydrophobicContact CB-CB 4.11Å; K73-H78 HydrophobicContact CG-CB 3.94Å; S74-H78 PolarHBondContact N-ND1 3.37Å; E75-H78 PolarHBondContact N-CE1 3.38Å; E75-H78 PolarHBondContact N-ND1 2.8Å; E75-H78 VanDerWaalsContact O-CB 3.27Å; E75-H78 WeakPolarHBondContact O-CB 3.18Å; E75-H78 PolarHBondContact O-N 3.46Å; P76-H78 PolarHBondContact O-N 2.82Å; H78-K80 PolarHBondContact O-N 2.77Å; H78-K80 VanDerWaalsContact O-N 3.13Å; H78-I81 HydrophobicContact CB-CD1 4.1Å; H78-I81 VanDerWaalsContact O-CB 3.29Å; H78-I81 WeakPolarHBondContact O-CB 3.34Å; H78-I81 WeakPolarHBondContact O-CG1 3.47Å; H78-I81 PolarHBondContact O-N 3.13Å
79S93.5Very high95Very high63 Ų6361.2 Ų61.244%0.44131%0.308SS..G310 helixtrans-56.4-19.7164.753.60000113.3P76 R77 I81 D82P76-S79 WeakPolarHBondContact O-CB 3.25Å; P76-S79 PolarHBondContact O-N 2.91Å; P76-S79 PolarHBondContact O-OG 3.28Å; R77-S79 PolarHBondContact O-N 3.03Å; S79-I81 PolarHBondContact O-N 3.01Å; S79-D82 WeakPolarHBondContact O-CB 3.5Å; S79-D82 PolarHBondContact O-N 2.97Å
80K95.3Very high94.9Very high57 Ų5767.7 Ų67.725%0.24834%0.336CS..Hα-helixtrans-60.2-22.5170.170.2-171.9163.5-178.30113.8E44 Y47 R77 H78 D82 K83 A84 V97E44-K80 IonicContact OE1-NZ 2.7Å; E44-K80 PolarHBondContact OE1-NZ 3.03Å; Y47-K80 HydrophobicContact CE2-CG 4.36Å; R77-K80 VanDerWaalsContact O-CG 3.32Å; R77-K80 WeakPolarHBondContact O-CG 3.48Å; R77-K80 PolarHBondContact O-N 2.96Å; H78-K80 PolarHBondContact O-N 2.77Å; H78-K80 VanDerWaalsContact O-N 3.13Å; K80-D82 VanDerWaalsContact C-N 3.34Å; K80-K83 PolarHBondContact O-N 3.42Å; K80-A84 PolarHBondContact O-N 2.96Å; K80-V97 VanDerWaalsContact NZ-CG2 3.31Å
81I96.8Very high94.9Very high0 Ų071.6 Ų71.60%035%0.351CS..Hα-helixtrans-67.4-37.6176.7-64.2171.7000110.3C43 Y47 L66 A69 T70 K73 H78 S79 A84 M85C43-I81 HydrophobicContact CB-CD1 3.75Å; Y47-I81 HydrophobicContact CD2-CB 4.5Å; Y47-I81 HydrophobicContact CD2-CG1 3.85Å; Y47-I81 HydrophobicContact CE2-CG1 4.48Å; L66-I81 HydrophobicContact CD2-CG2 4.28Å; A69-I81 HydrophobicContact CB-CD1 4.08Å; A69-I81 HydrophobicContact CB-CG2 4.03Å; T70-I81 WeakPolarHBondContact OG1-CG2 3.49Å; K73-I81 HydrophobicContact CG-CD1 4.06Å; H78-I81 HydrophobicContact CB-CD1 4.1Å; H78-I81 VanDerWaalsContact O-CB 3.29Å; H78-I81 WeakPolarHBondContact O-CB 3.34Å; H78-I81 WeakPolarHBondContact O-CG1 3.47Å; H78-I81 PolarHBondContact O-N 3.13Å; S79-I81 PolarHBondContact O-N 3.01Å; I81-A84 PolarHBondContact O-N 3.1Å; I81-M85 PolarHBondContact O-N 3.24Å
82D95.8Very high95Very high67 Ų6771.2 Ų71.236%0.35834%0.343SS..Hα-helixtrans-63.3-45.3175.9-60-52.5000110.9K73 S79 K80 A84 M85 E86K73-D82 IonicContact NZ-OD1 2.7Å; K73-D82 PolarHBondContact NZ-OD1 3.34Å; K73-D82 IonicContact NZ-OD2 3.25Å; K73-D82 PolarHBondContact NZ-OD2 2.89Å; S79-D82 WeakPolarHBondContact O-CB 3.5Å; S79-D82 PolarHBondContact O-N 2.97Å; K80-D82 VanDerWaalsContact C-N 3.34Å; D82-A84 VanDerWaalsContact C-N 3.28Å; D82-A84 PolarHBondContact O-N 2.94Å; D82-M85 WeakPolarHBondContact O-CB 3.45Å; D82-M85 PolarHBondContact O-N 3.36Å; D82-M85 VanDerWaalsContact O-N 3.08Å; D82-E86 PolarHBondContact O-N 2.89Å
83K96.2Very high95.1Very high144 Ų14472.8 Ų72.863%0.62635%0.352SS*.Hα-helixtrans-62.3-35.5175.8-61.7-176.3178.8-1780112.5K80 S87K80-K83 PolarHBondContact O-N 3.42Å; K83-S87 PolarHBondContact O-N 2.94Å; K83-S87 VanDerWaalsContact O-N 3.08Å; K83-S87 PolarHBondContact O-OG 3.2Å
84A96.9Very high95.2Very high1 Ų170.5 Ų70.51%0.00834%0.342CS..Hα-helixtrans-68.8-38.1173.700000111.9Y47 L66 K80 I81 D82 S87 I88 F94Y47-A84 HydrophobicContact CD2-CB 3.99Å; Y47-A84 HydrophobicContact CE2-CB 3.31Å; L66-A84 HydrophobicContact CD1-CB 4.01Å; L66-A84 HydrophobicContact CD2-CB 4.12Å; K80-A84 PolarHBondContact O-N 2.96Å; I81-A84 PolarHBondContact O-N 3.1Å; D82-A84 VanDerWaalsContact C-N 3.28Å; D82-A84 PolarHBondContact O-N 2.94Å; A84-S87 WeakPolarHBondContact O-CB 3.47Å; A84-S87 PolarHBondContact O-N 2.92Å; A84-S87 VanDerWaalsContact O-N 3.11Å; A84-I88 WeakPolarHBondContact O-CG1 3.4Å; A84-I88 PolarHBondContact O-N 3.48Å; A84-F94 HydrophobicContact CB-CD1 3.63Å; A84-F94 HydrophobicContact CB-CD2 4.04Å; A84-F94 HydrophobicContact CB-CE1 3.64Å; A84-F94 HydrophobicContact CB-CE2 4.02Å; A84-F94 HydrophobicContact CB-CG 3.82Å; A84-F94 HydrophobicContact CB-CZ 3.84Å
85M97.3Very high95.5Very high22 Ų2275.4 Ų75.411%0.10836%0.359CS..Hα-helixtrans-60.1-47.7175.1-170.766.887.600111E63 L66 A67 I81 D82 S87 I88 W89E63-M85 HydrophobicContact CG-SD 3.98Å; L66-M85 HydrophobicContact CB-CE 3.5Å; L66-M85 VanDerWaalsContact CB-CE 3.5Å; L66-M85 HydrophobicContact CB-SD 3.92Å; L66-M85 HydrophobicContact CD1-CB 4.42Å; L66-M85 HydrophobicContact CD1-SD 4.24Å; A67-M85 HydrophobicContact CB-CE 4.24Å; I81-M85 PolarHBondContact O-N 3.24Å; D82-M85 WeakPolarHBondContact O-CB 3.45Å; D82-M85 PolarHBondContact O-N 3.36Å; D82-M85 VanDerWaalsContact O-N 3.08Å; M85-S87 PolarHBondContact O-N 3.39Å; M85-I88 PolarHBondContact O-N 3.2Å; M85-I88 VanDerWaalsContact O-N 3.15Å; M85-W89 HydrophobicContact CG-CD2 4.39Å; M85-W89 HydrophobicContact CG-CH2 4.12Å; M85-W89 HydrophobicContact CG-CZ2 3.72Å; M85-W89 PolarHBondContact O-N 3.32Å; M85-W89 HydrophobicContact SD-CZ2 4.48Å
86E96.8Very high95.6Very high97 Ų9773.9 Ų73.945%0.45335%0.354SS..Hα-helixtrans-59.3-34.4174.2-68.3177.6-15600112.9D82 K90D82-E86 PolarHBondContact O-N 2.89Å; E86-K90 WeakPolarHBondContact O-CG 3.13Å; E86-K90 PolarHBondContact O-N 3.32Å
87S96.8Very high95.7Very high30 Ų3069 Ų6921%0.2132%0.322CS..Hα-helixtrans-69-43.2177-58.20000110.9K83 A84 M85 W89 K90 Q91 K92K83-S87 PolarHBondContact O-N 2.94Å; K83-S87 VanDerWaalsContact O-N 3.08Å; K83-S87 PolarHBondContact O-OG 3.2Å; A84-S87 WeakPolarHBondContact O-CB 3.47Å; A84-S87 PolarHBondContact O-N 2.92Å; A84-S87 VanDerWaalsContact O-N 3.11Å; M85-S87 PolarHBondContact O-N 3.39Å; S87-W89 PolarHBondContact O-N 2.95Å; S87-K90 CarbonylContact O-C 3.46Å; S87-K90 PolarHBondContact O-N 2.97Å; S87-K90 VanDerWaalsContact O-N 3.1Å; S87-Q91 PolarHBondContact O-N 3.46Å; S87-Q91 VanDerWaalsContact O-N 3.1Å; S87-K92 CarbonylContact C-O 3.41Å; S87-K92 WeakPolarHBondContact CB-O 3.35Å; S87-K92 PolarHBondContact O-N 2.85Å
88I96.9Very high95.8Very high5 Ų567.9 Ų67.93%0.02633%0.326CS..Hα-helixtrans-60.7-42.9176-68.4-53.7000111.7A54 W59 A62 E63 L66 A84 M85 K90 Q91 F94A54-I88 HydrophobicContact CB-CD1 3.57Å; W59-I88 HydrophobicContact CE3-CD1 3.85Å; W59-I88 HydrophobicContact CE3-CG2 4.43Å; W59-I88 HydrophobicContact CZ3-CD1 3.86Å; A62-I88 HydrophobicContact CB-CD1 3.78Å; A62-I88 HydrophobicContact CB-CG1 4.23Å; A62-I88 HydrophobicContact CB-CG2 4.38Å; E63-I88 HydrophobicContact CB-CG2 4.06Å; L66-I88 HydrophobicContact CD1-CB 4.3Å; L66-I88 HydrophobicContact CD1-CG1 3.47Å; L66-I88 VanDerWaalsContact CD1-CG1 3.47Å; A84-I88 WeakPolarHBondContact O-CG1 3.4Å; A84-I88 PolarHBondContact O-N 3.48Å; M85-I88 PolarHBondContact O-N 3.2Å; M85-I88 VanDerWaalsContact O-N 3.15Å; I88-K90 PolarHBondContact O-N 3.1Å; I88-Q91 WeakPolarHBondContact O-CA 3.09Å; I88-Q91 PolarHBondContact O-N 3.19Å; I88-F94 HydrophobicContact CD1-CD1 4.4Å; I88-F94 HydrophobicContact CD1-CE1 3.71Å; I88-F94 HydrophobicContact CG1-CE1 3.9Å
89W94.4Very high95.7Very high167 Ų16772 Ų7263%0.63335%0.348SS*.Hα-helixtrans-61.2-29.2175.9-67.5-26.5000113.4E63 M85 S87 Q91E63-W89 PolarHBondContact OE1-NE1 3.39Å; M85-W89 HydrophobicContact CG-CD2 4.39Å; M85-W89 HydrophobicContact CG-CH2 4.12Å; M85-W89 HydrophobicContact CG-CZ2 3.72Å; M85-W89 PolarHBondContact O-N 3.32Å; M85-W89 HydrophobicContact SD-CZ2 4.48Å; S87-W89 PolarHBondContact O-N 2.95Å; W89-Q91 VanDerWaalsContact C-N 3.32Å
90K96.3Very high95.6Very high135 Ų13572 Ų7259%0.58735%0.346SS*.THydrogen-bonded Turntrans-91.26.7175.3-63.4171.2-172.2166.80112.8E86 S87 I88 K92E86-K90 WeakPolarHBondContact O-CG 3.13Å; E86-K90 PolarHBondContact O-N 3.32Å; S87-K90 CarbonylContact O-C 3.46Å; S87-K90 PolarHBondContact O-N 2.97Å; S87-K90 VanDerWaalsContact O-N 3.1Å; I88-K90 PolarHBondContact O-N 3.1Å; K90-K92 HydrophobicContact CB-CD 4.36Å; K90-K92 HydrophobicContact CB-CG 4.13Å; K90-K92 PolarHBondContact O-N 3.36Å
91Q95.2Very high95.3Very high130 Ų13076.8 Ų76.861%0.60738%0.38SS*.THydrogen-bonded Turntrans52.340.4-173.7-59.6-179.814.100112.9W59 S87 I88 W89W59-Q91 HydrophobicContact CD2-CB 4.07Å; W59-Q91 HydrophobicContact CD2-CG 3.92Å; W59-Q91 HydrophobicContact CE3-CB 4.3Å; W59-Q91 HydrophobicContact CE3-CG 4.42Å; W59-Q91 HydrophobicContact CG-CG 4.11Å; W59-Q91 HydrophobicContact CH2-CB 4.04Å; W59-Q91 WeakPolarHBondContact CH2-O 3.28Å; W59-Q91 HydrophobicContact CZ2-CB 3.77Å; W59-Q91 HydrophobicContact CZ2-CG 4.43Å; W59-Q91 HydrophobicContact CZ3-CB 4.29Å; S87-Q91 PolarHBondContact O-N 3.46Å; S87-Q91 VanDerWaalsContact O-N 3.1Å; I88-Q91 WeakPolarHBondContact O-CA 3.09Å; I88-Q91 PolarHBondContact O-N 3.19Å; W89-Q91 VanDerWaalsContact C-N 3.32Å
92K96.4Very high95Very high129 Ų12979 Ų7956%0.56140%0.403SS*.  trans-108.8142.7176.9-65.1-170.8179.1-174.20110.5S87 K90S87-K92 CarbonylContact C-O 3.41Å; S87-K92 WeakPolarHBondContact CB-O 3.35Å; S87-K92 PolarHBondContact O-N 2.85Å; K90-K92 HydrophobicContact CB-CD 4.36Å; K90-K92 HydrophobicContact CB-CG 4.13Å; K90-K92 PolarHBondContact O-N 3.36Å
93L95.9Very high94.8Very high81 Ų8180.6 Ų80.642%0.42440%0.404SS..  trans-79.3161173.7-59.4174.7000110.8L51 A54 K55 W59L51-L93 HydrophobicContact CD1-CD2 4.34Å; A54-L93 HydrophobicContact CB-CD2 3.75Å; K55-L93 HydrophobicContact CD-CD1 3.81Å; K55-L93 HydrophobicContact CD-CD2 4.27Å; K55-L93 HydrophobicContact CG-CD2 4.33Å; W59-L93 HydrophobicContact CH2-CD2 4.14Å; W59-L93 HydrophobicContact CZ3-CD2 4.49Å
94F96.3Very high94.7Very high20 Ų2079.2 Ų79.29%0.08840%0.403CS..  trans-137.3168.7177.752.9-98.3000110.7Y47 A50 L51 L66 A84 I88Y47-F94 AromaticContact CD1-CE2 3.93Å; Y47-F94 HydrophobicContact CD1-CE2 3.93Å; Y47-F94 HydrophobicContact CD2-CE2 4.05Å; Y47-F94 AromaticContact CE1-CD2 3.64Å; Y47-F94 HydrophobicContact CE1-CD2 3.64Å; Y47-F94 AromaticContact CE1-CE2 3.49Å; Y47-F94 HydrophobicContact CE1-CE2 3.49Å; Y47-F94 VanDerWaalsContact CE1-CE2 3.49Å; Y47-F94 AromaticContact CE2-CD2 3.89Å; Y47-F94 HydrophobicContact CE2-CD2 3.89Å; Y47-F94 AromaticContact CE2-CE2 3.68Å; Y47-F94 HydrophobicContact CE2-CE2 3.68Å; Y47-F94 HydrophobicContact CE2-CZ 4.39Å; Y47-F94 HydrophobicContact CG-CE2 4.2Å; Y47-F94 AromaticContact CZ-CD2 3.25Å; Y47-F94 AromaticContact CZ-CE2 3.34Å; Y47-F94 WeakPolarHBondContact OH-CD2 3.45Å; A50-F94 HydrophobicContact CB-CZ 4.32Å; L51-F94 HydrophobicContact CB-CD2 4.39Å; L51-F94 HydrophobicContact CB-CE2 3.65Å; L51-F94 HydrophobicContact CB-CZ 3.88Å; L51-F94 HydrophobicContact CD1-CD2 4.04Å; L51-F94 HydrophobicContact CD1-CE2 4.07Å; L51-F94 HydrophobicContact CD1-CG 4.32Å; L51-F94 HydrophobicContact CD1-CZ 4.31Å; L51-F94 WeakPolarHBondContact CD1-O 3.36Å; L51-F94 HydrophobicContact CG-CE2 4.28Å; L66-F94 HydrophobicContact CD1-CE1 4.26Å; L66-F94 HydrophobicContact CD1-CZ 4.42Å; L66-F94 HydrophobicContact CD2-CZ 4.36Å; A84-F94 HydrophobicContact CB-CD1 3.63Å; A84-F94 HydrophobicContact CB-CD2 4.04Å; A84-F94 HydrophobicContact CB-CE1 3.64Å; A84-F94 HydrophobicContact CB-CE2 4.02Å; A84-F94 HydrophobicContact CB-CG 3.82Å; A84-F94 HydrophobicContact CB-CZ 3.84Å; I88-F94 HydrophobicContact CD1-CD1 4.4Å; I88-F94 HydrophobicContact CD1-CE1 3.71Å; I88-F94 HydrophobicContact CG1-CE1 3.9Å
95E95Very high94.5Very high153 Ų15385 Ų8572%0.71543%0.428SS*.PPolyproline II helixtrans-77.4136.9-176.1-70.4-56.8135.900112.4Y47Y47-E95 VanDerWaalsContact CE1-O 3.23Å; Y47-E95 WeakPolarHBondContact CE1-O 3.27Å; Y47-E95 PolarHBondContact OH-O 3.07Å
96P95.1Very high94.1Very high23 Ų2392 Ų9215%0.14945%0.453CS..PPolyproline II helixtrans-70.1157.617825.6-31.2000113.7M1 Y4 L51 V98M1-P96 HydrophobicContact CE-CB 3.15Å; M1-P96 HydrophobicContact CE-CG 3.86Å; Y4-P96 HydrophobicContact CE1-CG 4.05Å; L51-P96 HydrophobicContact CD2-CB 3.61Å; L51-P96 HydrophobicContact CD2-CG 4.14Å; P96-V98 HydrophobicContact CB-CG1 4.42Å; P96-V98 HydrophobicContact CG-CG1 4.31Å
97V94.6Very high93.7Very high22 Ų2291.6 Ų91.613%0.13346%0.459CS..PPolyproline II helixtrans-81.9119.6161.1-177.40000109.5E44 Y47 N48 K80E44-V97 HydrophobicContact CB-CB 4.42Å; E44-V97 HydrophobicContact CB-CG1 4.2Å; E44-V97 HydrophobicContact CB-CG2 4.25Å; E44-V97 HydrophobicContact CG-CG1 4.47Å; E44-V97 HydrophobicContact CG-CG2 4.32Å; Y47-V97 HydrophobicContact CD1-CG2 3.8Å; Y47-V97 HydrophobicContact CE1-CG2 3.96Å; N48-V97 PolarHBondContact ND2-O 3.03Å; N48-V97 PolarHBondContact OD1-N 3.17Å; K80-V97 VanDerWaalsContact NZ-CG2 3.31Å
98V94.4Very high93Very high79 Ų7994.5 Ų94.548%0.47947%0.472SS..  trans-122.7151175.8-67.70000110.2M1 P96 P100M1-V98 HydrophobicContact CB-CG1 4.15Å; M1-V98 HydrophobicContact CG-CG1 3.85Å; P96-V98 HydrophobicContact CB-CG1 4.42Å; P96-V98 HydrophobicContact CG-CG1 4.31Å; V98-P100 WeakPolarHBondContact O-CD 3.45Å
99I93.3Very high92.1Very high87 Ų87102.5 Ų102.545%0.44651%0.509SS..PPolyproline II helixtrans-69.3126.8167.4-59.4176.3000107.3F38 R103F38-I99 HydrophobicContact CD1-CD1 4.32Å; F38-I99 HydrophobicContact CD1-CG1 4.3Å; F38-I99 HydrophobicContact CD2-CG1 4.27Å; F38-I99 HydrophobicContact CD2-CG2 4.35Å; F38-I99 HydrophobicContact CE1-CD1 4.26Å; F38-I99 HydrophobicContact CE1-CG1 3.97Å; F38-I99 HydrophobicContact CE2-CG1 3.95Å; F38-I99 HydrophobicContact CG-CG1 4.45Å; F38-I99 HydrophobicContact CZ-CG1 3.79Å; I99-R103 HydrophobicContact CG2-CB 3.94Å; I99-R103 HydrophobicContact CG2-CG 4.31Å
100P91.4Very high91.2Very high64 Ų64104.4 Ų104.442%0.41652%0.516SS..PPolyproline II helixtrans-57142178.1-26.234.9000112.3V98 R103V98-P100 WeakPolarHBondContact O-CD 3.45Å; P100-R103 VanDerWaalsContact O-CB 3.31Å; P100-R103 WeakPolarHBondContact O-CB 3.4Å; P100-R103 PolarHBondContact O-N 2.92Å
101V90.2Very high90.2Very high157 Ų157104.4 Ų104.495%0.95252%0.519SS*.THydrogen-bonded Turntrans-58.7139.9175.8-177.70000109.7R103V101-R103 VanDerWaalsContact C-N 3.29Å; V101-R103 PolarHBondContact O-N 3.3Å
102G90Very high89.3Confident47 Ų47102.7 Ų102.749%0.48552%0.517SS..THydrogen-bonded Turntrans85-6.8-177.600000114.7L104G102-L104 PolarHBondContact O-N 3.3Å
103R92.3Very high88.2Confident99 Ų99100.9 Ų100.937%0.37453%0.526SS..  trans-83.8105170.7-166.4172.9-73-163.87.4109.7L36 Q37 I99 P100 V101L36-R103 HydrophobicContact CD1-CG 3.86Å; Q37-R103 VanDerWaalsContact O-CD 3.25Å; Q37-R103 WeakPolarHBondContact O-CD 3.5Å; Q37-R103 VanDerWaalsContact O-CZ 3.3Å; Q37-R103 PolarHBondContact O-NE 3.17Å; Q37-R103 PolarHBondContact O-NH1 2.79Å; I99-R103 HydrophobicContact CG2-CB 3.94Å; I99-R103 HydrophobicContact CG2-CG 4.31Å; P100-R103 VanDerWaalsContact O-CB 3.31Å; P100-R103 WeakPolarHBondContact O-CB 3.4Å; P100-R103 PolarHBondContact O-N 2.92Å; V101-R103 VanDerWaalsContact C-N 3.29Å; V101-R103 PolarHBondContact O-N 3.3Å
104L92.5Very high86.2Confident116 Ų116107.9 Ų107.961%0.60756%0.556SS**  trans-125.8161.6-173.8-61.6172.2000110.1L36 G102 R106L36-L104 VanDerWaalsContact CD1-C 3.47Å; L36-L104 WeakPolarHBondContact CD1-O 3.3Å; G102-L104 PolarHBondContact O-N 3.3Å; L104-R106 PolarHBondContact O-N 3.07Å
105F92.8Very high85.7Confident123 Ų123112.3 Ų112.354%0.53958%0.58SS.*  trans-63.7130.3163.2-72.1-85.9000108.8Y31 L34 L36Y31-F105 HydrophobicContact CD1-CE1 4.13Å; Y31-F105 HydrophobicContact CD1-CZ 4Å; L34-F105 HydrophobicContact CB-CD1 4.36Å; L34-F105 HydrophobicContact CB-CE1 3.94Å; L34-F105 WeakPolarHBondContact O-CD1 3.37Å; L36-F105 HydrophobicContact CB-CD1 3.44Å; L36-F105 VanDerWaalsContact CB-CD1 3.44Å; L36-F105 HydrophobicContact CB-CD2 4.28Å; L36-F105 HydrophobicContact CB-CE1 3.41Å; L36-F105 VanDerWaalsContact CB-CE1 3.41Å; L36-F105 HydrophobicContact CB-CE2 4.26Å; L36-F105 HydrophobicContact CB-CG 3.89Å; L36-F105 HydrophobicContact CB-CZ 3.84Å; L36-F105 HydrophobicContact CD2-CD2 4.43Å; L36-F105 HydrophobicContact CD2-CE1 4.1Å; L36-F105 HydrophobicContact CD2-CE2 3.81Å; L36-F105 HydrophobicContact CD2-CZ 3.62Å; L36-F105 HydrophobicContact CG-CE1 4.36Å; L36-F105 HydrophobicContact CG-CE2 4.49Å; L36-F105 HydrophobicContact CG-CZ 4.32Å
106R90Very high85.2Confident168 Ų168110.1 Ų110.163%0.63457%0.573SS**  trans-121.6142.8176.9-65.3-176.8-179.7168.70.4109.3G35 L104G35-R106 VanDerWaalsContact CA-O 3.3Å; G35-R106 WeakPolarHBondContact CA-O 3.48Å; G35-R106 PolarHBondContact O-N 2.89Å; L104-R106 PolarHBondContact O-N 3.07Å
107P88Confident84.6Confident89 Ų89114.9 Ų114.958%0.57860%0.596SS**  trans-59.3157.8171.426.3-34.4000110.8V112P107-V112 HydrophobicContact CB-CG2 3.75Å; P107-V112 HydrophobicContact CG-CG2 3.41Å; P107-V112 VanDerWaalsContact CG-CG2 3.41Å
108N82.2Confident84Confident91 Ų91120.4 Ų120.449%0.48762%0.623SS.*  trans-65136.7177.5-171.2-27.9000109.8R110 Q111 V112N108-R110 PolarHBondContact O-N 2.91Å; N108-R110 VanDerWaalsContact O-N 3.07Å; N108-R110 PolarHBondContact OD1-N 3.22Å; N108-Q111 HydrophobicContact CB-CB 4.44Å; N108-Q111 HydrophobicContact CB-CG 4.14Å; N108-Q111 WeakPolarHBondContact O-CA 3.33Å; N108-Q111 WeakPolarHBondContact O-CB 3.38Å; N108-Q111 PolarHBondContact O-N 3.3Å; N108-V112 PolarHBondContact O-N 3.27Å
109E78.1Confident83.4Confident172 Ų172123 Ų12380%0.80463%0.632SS**Hα-helixtrans-50.9-36.3178.1-65.5-179.9168.600112.2Q111 V112 A113E109-Q111 VanDerWaalsContact C-N 3.34Å; E109-Q111 PolarHBondContact O-N 3.37Å; E109-V112 PolarHBondContact O-N 2.89Å; E109-A113 WeakPolarHBondContact O-CB 3.46Å; E109-A113 PolarHBondContact O-N 2.83Å; E109-A113 VanDerWaalsContact O-N 3.1Å
110R76Confident82.7Confident207 Ų207125.4 Ų125.478%0.78165%0.645SS**Hα-helixtrans-67.5-30.6176.9-66-174178.3-174.3-0.7114.1N108N108-R110 PolarHBondContact O-N 2.91Å; N108-R110 VanDerWaalsContact O-N 3.07Å; N108-R110 PolarHBondContact OD1-N 3.22Å
111Q74.4Confident82.1Confident135 Ų135129.8 Ų129.863%0.63166%0.661SS**Hα-helixtrans-81-24.6178.1-68.7175.3-49.500112.2N108 E109N108-Q111 HydrophobicContact CB-CB 4.44Å; N108-Q111 HydrophobicContact CB-CG 4.14Å; N108-Q111 WeakPolarHBondContact O-CA 3.33Å; N108-Q111 WeakPolarHBondContact O-CB 3.38Å; N108-Q111 PolarHBondContact O-N 3.3Å; E109-Q111 VanDerWaalsContact C-N 3.34Å; E109-Q111 PolarHBondContact O-N 3.37Å
112V77Confident81.5Confident95 Ų95127.7 Ų127.758%0.57664%0.639SS**Hα-helixtrans-85.1-27.5178.6-178.40000111.7P107 N108 E109 Q114P107-V112 HydrophobicContact CB-CG2 3.75Å; P107-V112 HydrophobicContact CG-CG2 3.41Å; P107-V112 VanDerWaalsContact CG-CG2 3.41Å; N108-V112 PolarHBondContact O-N 3.27Å; E109-V112 PolarHBondContact O-N 2.89Å; V112-Q114 VanDerWaalsContact C-N 3.3Å
113A72.9Confident80.8Confident90 Ų90134.4 Ų134.474%0.74465%0.652SS**  trans-83.10.1-179.900000114.4E109E109-A113 WeakPolarHBondContact O-CB 3.46Å; E109-A113 PolarHBondContact O-N 2.83Å; E109-A113 VanDerWaalsContact O-N 3.1Å
114Q53.3Low79.8Confident228 Ų228137.6 Ų137.6100%1.06568%0.677SS**  trans-100.70172.5-80.1-175.7-2500110.2V112V112-Q114 VanDerWaalsContact C-N 3.3Å

Retrieved 114 of 114 residues in 226.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).