A0A060WVI2_ONCMY Loading...

Myomaker, myoblast fusion factor

AlphaFold DB , UniProt , Accession A0A060WVI2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene mymk, Length 434 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
1M72Confident85.9Confident203 Ų20379.5 Ų79.5100%145%0.451SS*.  0-63.50-72.6-169.5-86.900113A3 Y4 I5M1-A3 PolarHBondContact O-N 3.39Å; M1-A3 VanDerWaalsContact O-N 3.13Å; M1-Y4 WeakPolarHBondContact O-CB 3.28Å; M1-Y4 PolarHBondContact O-N 3.15Å; M1-I5 PolarHBondContact O-N 3.04Å
2G81.5Confident86.7Confident54 Ų5474.4 Ų74.456%0.55742%0.423SS*.Hα-helixtrans-44.5-49.5-172.200000116.9Y4 I5 A6G2-Y4 VanDerWaalsContact C-N 3.3Å; G2-Y4 PolarHBondContact O-N 3.26Å; G2-I5 PolarHBondContact O-N 2.93Å; G2-A6 PolarHBondContact O-N 3.02Å
3A83.8Confident87.3Confident88 Ų8875.8 Ų75.873%0.72743%0.434SS*.Hα-helixtrans-61.6-31.9178.800000114.4M1 K7M1-A3 PolarHBondContact O-N 3.39Å; M1-A3 VanDerWaalsContact O-N 3.13Å; A3-K7 WeakPolarHBondContact O-CB 3.5Å; A3-K7 PolarHBondContact O-N 2.94Å
4Y84.4Confident88Confident147 Ų14771.6 Ų71.658%0.57641%0.411SS*.Hα-helixtrans-71.8-41.6176.2177.4-92.3000111.3M1 G2 K7 M8M1-Y4 WeakPolarHBondContact O-CB 3.28Å; M1-Y4 PolarHBondContact O-N 3.15Å; G2-Y4 VanDerWaalsContact C-N 3.3Å; G2-Y4 PolarHBondContact O-N 3.26Å; Y4-K7 WeakPolarHBondContact O-CB 3.41Å; Y4-K7 PolarHBondContact O-N 3.26Å; Y4-M8 HydrophobicContact CE1-CE 4.23Å; Y4-M8 HydrophobicContact CE1-CG 4.25Å; Y4-M8 HydrophobicContact CE2-CE 3.79Å; Y4-M8 PolarHBondContact O-N 3.31Å; Y4-M8 WeakPolarHBondContact OH-CE 3.41Å
5I83.4Confident88.6Confident76 Ų7666.8 Ų66.839%0.3938%0.383SS..Hα-helixtrans-64.2-44.9175.4-59.4170.1000109.9M1 G2 K7 M8 L9M1-I5 PolarHBondContact O-N 3.04Å; G2-I5 PolarHBondContact O-N 2.93Å; I5-K7 VanDerWaalsContact C-N 3.28Å; I5-K7 PolarHBondContact O-N 3.27Å; I5-M8 PolarHBondContact O-N 2.63Å; I5-L9 HydrophobicContact CG2-CD1 4.04Å; I5-L9 WeakPolarHBondContact O-CG 3.47Å; I5-L9 PolarHBondContact O-N 2.92Å
6A85Confident89.2Confident59 Ų5967.5 Ų67.549%0.48839%0.385SS..Hα-helixtrans-59.7-36.9175.400000112.8G2 L9 L10G2-A6 PolarHBondContact O-N 3.02Å; A6-L9 PolarHBondContact O-N 2.95Å; A6-L10 PolarHBondContact O-N 2.65Å
7K89.1Confident89.6Confident65 Ų6565.7 Ų65.728%0.28338%0.375SS..Hα-helixtrans-64.3-46.7174.1-176172.6179.2173.50111.9A3 Y4 I5 L9 L10 D175 A177 Y178A3-K7 WeakPolarHBondContact O-CB 3.5Å; A3-K7 PolarHBondContact O-N 2.94Å; Y4-K7 WeakPolarHBondContact O-CB 3.41Å; Y4-K7 PolarHBondContact O-N 3.26Å; I5-K7 VanDerWaalsContact C-N 3.28Å; I5-K7 PolarHBondContact O-N 3.27Å; K7-L9 VanDerWaalsContact C-N 3.27Å; K7-L9 PolarHBondContact O-N 2.92Å; K7-L10 VanDerWaalsContact O-CB 3.29Å; K7-L10 WeakPolarHBondContact O-CB 3.33Å; K7-L10 PolarHBondContact O-N 3.05Å; K7-L10 VanDerWaalsContact O-N 3.15Å; K7-D175 WeakPolarHBondContact CE-OD1 3.26Å; K7-D175 IonicContact NZ-OD1 2.68Å; K7-D175 PolarHBondContact NZ-OD1 3.27Å; K7-D175 IonicContact NZ-OD2 3.84Å; K7-D175 PolarHBondContact NZ-OD2 3.11Å; K7-A177 HydrophobicContact CD-CB 4.29Å; K7-A177 HydrophobicContact CG-CB 3.5Å; K7-A177 WeakPolarHBondContact O-CB 3.49Å; K7-Y178 HydrophobicContact CD-CE2 4.17Å; K7-Y178 HydrophobicContact CG-CE2 4.34Å
8M87.4Confident90Very high69 Ų6962.1 Ų62.134%0.3435%0.354SS..Hα-helixtrans-67.3-25.2178.8-63.9-50.5-167.300113.8Y4 I5 L10 P53Y4-M8 HydrophobicContact CE1-CE 4.23Å; Y4-M8 HydrophobicContact CE1-CG 4.25Å; Y4-M8 HydrophobicContact CE2-CE 3.79Å; Y4-M8 PolarHBondContact O-N 3.31Å; Y4-M8 WeakPolarHBondContact OH-CE 3.41Å; I5-M8 PolarHBondContact O-N 2.63Å; M8-L10 VanDerWaalsContact C-N 3.33Å; M8-P53 HydrophobicContact CB-CG 4.46Å
9L90Very high90.4Very high55 Ų5562.2 Ų62.229%0.28835%0.354SS..THydrogen-bonded Turntrans-82.3-6.5174.7-64.8173.9000113.9I5 A6 K7 T12 V13 L55I5-L9 HydrophobicContact CG2-CD1 4.04Å; I5-L9 WeakPolarHBondContact O-CG 3.47Å; I5-L9 PolarHBondContact O-N 2.92Å; A6-L9 PolarHBondContact O-N 2.95Å; K7-L9 VanDerWaalsContact C-N 3.27Å; K7-L9 PolarHBondContact O-N 2.92Å; L9-T12 WeakPolarHBondContact O-CB 3.21Å; L9-T12 PolarHBondContact O-N 3.48Å; L9-V13 WeakPolarHBondContact O-CG2 3.3Å; L9-V13 PolarHBondContact O-N 3.28Å; L9-L55 HydrophobicContact CD2-CD1 3.59Å
10L93.7Very high90.7Very high55 Ų5563 Ų6329%0.28836%0.361SS..Hα-helixtrans-65.1-41.6-174.6-16068.2000113.3A6 K7 M8 T12 V13 S14 Y178 S181A6-L10 PolarHBondContact O-N 2.65Å; K7-L10 VanDerWaalsContact O-CB 3.29Å; K7-L10 WeakPolarHBondContact O-CB 3.33Å; K7-L10 PolarHBondContact O-N 3.05Å; K7-L10 VanDerWaalsContact O-N 3.15Å; M8-L10 VanDerWaalsContact C-N 3.33Å; L10-T12 VanDerWaalsContact C-N 3.31Å; L10-T12 PolarHBondContact O-N 2.86Å; L10-V13 PolarHBondContact O-N 3.49Å; L10-S14 WeakPolarHBondContact O-CB 3.48Å; L10-S14 PolarHBondContact O-N 3.21Å; L10-S14 PolarHBondContact O-OG 3.34Å; L10-Y178 HydrophobicContact CD2-CD1 3.47Å; L10-Y178 VanDerWaalsContact CD2-CD1 3.47Å; L10-Y178 HydrophobicContact CD2-CE1 3.65Å; L10-Y178 HydrophobicContact CD2-CG 4.1Å; L10-S181 WeakPolarHBondContact CG-OG 3.36Å; L10-S181 PolarHBondContact O-OG 3.16Å; L10-S181 VanDerWaalsContact O-OG 3.11Å
11P94.8Very high90.9Very high4 Ų460 Ų603%0.02634%0.344CS..Hα-helixtrans-61.3-37172.4-25.937.9000113.1S14 S15 H48 Y176 S181P11-S14 WeakPolarHBondContact CA-OG 3.48Å; P11-S14 PolarHBondContact O-OG 3.24Å; P11-S15 PolarHBondContact O-N 3.28Å; P11-S15 PolarHBondContact O-OG 3.49Å; P11-H48 HydrophobicContact CB-CB 3.98Å; P11-Y176 HydrophobicContact CG-CE1 4.49Å; P11-S181 WeakPolarHBondContact CA-OG 3.38Å
12T94.8Very high92.1Very high18 Ų1850.7 Ų50.711%0.1130%0.299CS..Hα-helixtrans-63.9-48175.9-47.30000111.8L9 L10 S15 T45 H48 A49L9-T12 WeakPolarHBondContact O-CB 3.21Å; L9-T12 PolarHBondContact O-N 3.48Å; L10-T12 VanDerWaalsContact C-N 3.31Å; L10-T12 PolarHBondContact O-N 2.86Å; T12-S15 WeakPolarHBondContact O-CB 3.48Å; T12-S15 PolarHBondContact O-N 2.89Å; T12-T45 HydrophobicContact CG2-CG2 3.93Å; T12-H48 VanDerWaalsContact OG1-CB 3.24Å; T12-H48 WeakPolarHBondContact OG1-CB 3.48Å; T12-H48 PolarHBondContact OG1-O 3.2Å; T12-A49 HydrophobicContact CG2-CB 3.91Å; T12-A49 PolarHBondContact OG1-N 2.94Å
13V95.3Very high92.8Very high93 Ų9351.1 Ų51.156%0.56429%0.294SS*.Hα-helixtrans-70.2-39.3179.81760000111.3L9 L10 S15 L16L9-V13 WeakPolarHBondContact O-CG2 3.3Å; L9-V13 PolarHBondContact O-N 3.28Å; L10-V13 PolarHBondContact O-N 3.49Å; V13-S15 VanDerWaalsContact C-N 3.31Å; V13-S15 PolarHBondContact O-N 2.97Å; V13-L16 WeakPolarHBondContact O-CB 3.18Å; V13-L16 WeakPolarHBondContact O-CG 3.3Å; V13-L16 PolarHBondContact O-N 2.89Å
14S97.4Very high93.3Very high16 Ų1648.9 Ų48.911%0.11227%0.271CS..Hα-helixtrans-68.1-27.9178.161.30000113.1L10 P11 L16 V17 S181 H184L10-S14 WeakPolarHBondContact O-CB 3.48Å; L10-S14 PolarHBondContact O-N 3.21Å; L10-S14 PolarHBondContact O-OG 3.34Å; P11-S14 WeakPolarHBondContact CA-OG 3.48Å; P11-S14 PolarHBondContact O-OG 3.24Å; S14-L16 PolarHBondContact O-N 3.07Å; S14-L16 VanDerWaalsContact O-N 3.08Å; S14-V17 WeakPolarHBondContact O-CB 3.26Å; S14-V17 WeakPolarHBondContact O-CG1 3.38Å; S14-V17 WeakPolarHBondContact O-CG2 3.29Å; S14-V17 PolarHBondContact O-N 2.89Å; S14-S181 VanDerWaalsContact OG-CA 3.31Å; S14-S181 WeakPolarHBondContact OG-CA 3.47Å; S14-S181 WeakPolarHBondContact OG-CB 3.37Å; S14-S181 PolarHBondContact OG-OG 2.89Å; S14-H184 PolarHBondContact OG-ND1 3.16Å
15S96.9Very high93.9Very high0 Ų041.9 Ų41.90%024%0.244CC..Hα-helixtrans-54.7-28.3173.4-61.70000112.9P11 T12 V13 V17 F18 T45 H184P11-S15 PolarHBondContact O-N 3.28Å; P11-S15 PolarHBondContact O-OG 3.49Å; T12-S15 WeakPolarHBondContact O-CB 3.48Å; T12-S15 PolarHBondContact O-N 2.89Å; V13-S15 VanDerWaalsContact C-N 3.31Å; V13-S15 PolarHBondContact O-N 2.97Å; S15-V17 PolarHBondContact O-N 3.45Å; S15-V17 VanDerWaalsContact O-N 3.16Å; S15-F18 VanDerWaalsContact O-CD2 3.25Å; S15-F18 WeakPolarHBondContact O-CD2 3.4Å; S15-F18 PolarHBondContact O-N 3.16Å; S15-T45 WeakPolarHBondContact CB-OG1 3.47Å; S15-H184 PolarHBondContact OG-CE1 3.22Å
16L97Very high94.4Very high78 Ų7841.4 Ų41.441%0.40825%0.245SC..THydrogen-bonded Turntrans-66.2-13.9178.7-56.1178.4000113.7V13 S14 F18 L19 P20 M41 T45V13-L16 WeakPolarHBondContact O-CB 3.18Å; V13-L16 WeakPolarHBondContact O-CG 3.3Å; V13-L16 PolarHBondContact O-N 2.89Å; S14-L16 PolarHBondContact O-N 3.07Å; S14-L16 VanDerWaalsContact O-N 3.08Å; L16-F18 PolarHBondContact O-N 3.48Å; L16-F18 VanDerWaalsContact O-N 3.16Å; L16-L19 HydrophobicContact CD2-CD1 4.41Å; L16-L19 WeakPolarHBondContact O-CB 3.24Å; L16-L19 PolarHBondContact O-N 3.48Å; L16-P20 VanDerWaalsContact O-CD 3.28Å; L16-P20 WeakPolarHBondContact O-CD 3.35Å; L16-M41 HydrophobicContact CD2-SD 3.89Å; L16-T45 HydrophobicContact CD2-CG2 4.17Å
17V97Very high94.8Very high37 Ų3747.6 Ų47.622%0.22426%0.26CS..THydrogen-bonded Turntrans-64.9-15.4176.3-59.30000113.5S14 S15 L19 P20 H184 L185 A188S14-V17 WeakPolarHBondContact O-CB 3.26Å; S14-V17 WeakPolarHBondContact O-CG1 3.38Å; S14-V17 WeakPolarHBondContact O-CG2 3.29Å; S14-V17 PolarHBondContact O-N 2.89Å; S15-V17 PolarHBondContact O-N 3.45Å; S15-V17 VanDerWaalsContact O-N 3.16Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-P20 WeakPolarHBondContact O-CD 3.46Å; V17-H184 HydrophobicContact CG2-CB 4.05Å; V17-H184 WeakPolarHBondContact CG2-O 3.31Å; V17-L185 HydrophobicContact CG1-CD1 4.24Å; V17-A188 HydrophobicContact CB-CB 4.25Å; V17-A188 HydrophobicContact CG2-CB 3.74Å
18F97.3Very high95Very high0 Ų047.2 Ų47.20%026%0.257CS..Hα-helixtrans-72.8-19.3169.9-64.9-57.8000113.5S15 L16 A21 A22 T40 M41 M187 A188 F191S15-F18 VanDerWaalsContact O-CD2 3.25Å; S15-F18 WeakPolarHBondContact O-CD2 3.4Å; S15-F18 PolarHBondContact O-N 3.16Å; L16-F18 PolarHBondContact O-N 3.48Å; L16-F18 VanDerWaalsContact O-N 3.16Å; F18-A21 WeakPolarHBondContact O-CB 3.43Å; F18-A21 PolarHBondContact O-N 2.97Å; F18-A22 PolarHBondContact O-N 3.41Å; F18-T40 HydrophobicContact CD2-CG2 4.46Å; F18-T40 HydrophobicContact CE2-CG2 4.34Å; F18-M41 HydrophobicContact CB-CB 3.72Å; F18-M41 HydrophobicContact CB-CG 4.08Å; F18-M187 HydrophobicContact CE1-CB 4.48Å; F18-M187 HydrophobicContact CE1-CG 4.3Å; F18-A188 HydrophobicContact CD1-CB 3.84Å; F18-A188 HydrophobicContact CE1-CB 3.99Å; F18-F191 HydrophobicContact CD1-CD2 4.22Å; F18-F191 HydrophobicContact CD1-CE2 4.12Å; F18-F191 HydrophobicContact CE1-CD2 4.09Å; F18-F191 AromaticContact CE1-CE2 3.67Å; F18-F191 HydrophobicContact CE1-CE2 3.67Å
19L96.4Very high95.2Very high65 Ų6544.5 Ų44.534%0.3425%0.247SC..Hα-helixtrans-65.1-46.5172.7-81168.6000112.9L16 V17 A21 A22 S23 F38 M41L16-L19 HydrophobicContact CD2-CD1 4.41Å; L16-L19 WeakPolarHBondContact O-CB 3.24Å; L16-L19 PolarHBondContact O-N 3.48Å; V17-L19 VanDerWaalsContact C-N 3.34Å; L19-A21 VanDerWaalsContact C-N 3.28Å; L19-A21 PolarHBondContact O-N 3.03Å; L19-A22 PolarHBondContact O-N 2.62Å; L19-S23 WeakPolarHBondContact O-CB 3.42Å; L19-S23 PolarHBondContact O-N 3Å; L19-S23 PolarHBondContact O-OG 2.94Å; L19-F38 HydrophobicContact CD2-CD2 3.92Å; L19-F38 HydrophobicContact CD2-CE2 4.04Å; L19-M41 HydrophobicContact CD1-CE 4.35Å; L19-M41 HydrophobicContact CD1-SD 4.17Å; L19-M41 HydrophobicContact CD2-CE 3.79Å; L19-M41 HydrophobicContact CG-CE 3.97Å; L19-M41 HydrophobicContact CG-CG 4.01Å; L19-M41 HydrophobicContact CG-SD 4.02Å
20P95.8Very high95.3Very high77 Ų7742.1 Ų42.150%0.523%0.234SC..Hα-helixtrans-51.3-43.3165.4-31.534.6000113.7L16 V17 S23 V24L16-P20 VanDerWaalsContact O-CD 3.28Å; L16-P20 WeakPolarHBondContact O-CD 3.35Å; V17-P20 WeakPolarHBondContact O-CD 3.46Å; P20-S23 PolarHBondContact O-N 2.77Å; P20-V24 WeakPolarHBondContact O-CB 3.08Å; P20-V24 VanDerWaalsContact O-CG2 3.3Å; P20-V24 WeakPolarHBondContact O-CG2 3.42Å; P20-V24 PolarHBondContact O-N 3.37Å
21A95.7Very high95.3Very high1 Ų144.7 Ų44.71%0.00824%0.244CC..Hα-helixtrans-64.1-47.5178.400000112.2F18 L19 S23 V24 A25 Y37 V192F18-A21 WeakPolarHBondContact O-CB 3.43Å; F18-A21 PolarHBondContact O-N 2.97Å; L19-A21 VanDerWaalsContact C-N 3.28Å; L19-A21 PolarHBondContact O-N 3.03Å; A21-S23 VanDerWaalsContact C-N 3.32Å; A21-S23 PolarHBondContact O-N 3.19Å; A21-V24 PolarHBondContact O-N 3.24Å; A21-A25 WeakPolarHBondContact O-CB 3.5Å; A21-A25 PolarHBondContact O-N 3.43Å; A21-Y37 HydrophobicContact CB-CD2 3.97Å; A21-Y37 HydrophobicContact CB-CE2 4.49Å; A21-V192 HydrophobicContact CB-CG2 3.84Å
22A96.8Very high95.2Very high7 Ų748.9 Ų48.96%0.05827%0.265CS..Hα-helixtrans-60.9-39.6175.200000112.3F18 L19 A25 T26 A34 F38F18-A22 PolarHBondContact O-N 3.41Å; L19-A22 PolarHBondContact O-N 2.62Å; A22-A25 PolarHBondContact O-N 2.94Å; A22-T26 WeakPolarHBondContact O-CB 3.36Å; A22-T26 PolarHBondContact O-N 3.42Å; A22-T26 PolarHBondContact O-OG1 3.36Å; A22-A34 WeakPolarHBondContact O-CB 3.34Å; A22-F38 HydrophobicContact CB-CB 4.46Å
23S96.4Very high95.3Very high63 Ų6348.2 Ų48.244%0.44126%0.26SS..Hα-helixtrans-65.3-42176.8-610000112.2L19 P20 A21 K27L19-S23 WeakPolarHBondContact O-CB 3.42Å; L19-S23 PolarHBondContact O-N 3Å; L19-S23 PolarHBondContact O-OG 2.94Å; P20-S23 PolarHBondContact O-N 2.77Å; A21-S23 VanDerWaalsContact C-N 3.32Å; A21-S23 PolarHBondContact O-N 3.19Å; S23-K27 WeakPolarHBondContact O-CB 3.46Å; S23-K27 WeakPolarHBondContact O-CG 3.27Å; S23-K27 PolarHBondContact O-N 2.95Å
24V95.4Very high95.4Very high41 Ų4143.9 Ų43.925%0.24823%0.234CC..Hα-helixtrans-68.9-40.5176.1169.30000111.3P20 A21 K27 R28 V192P20-V24 WeakPolarHBondContact O-CB 3.08Å; P20-V24 VanDerWaalsContact O-CG2 3.3Å; P20-V24 WeakPolarHBondContact O-CG2 3.42Å; P20-V24 PolarHBondContact O-N 3.37Å; A21-V24 PolarHBondContact O-N 3.24Å; V24-K27 PolarHBondContact O-N 2.72Å; V24-R28 VanDerWaalsContact CG1-NE 3.34Å; V24-R28 VanDerWaalsContact CG1-NH2 3.33Å; V24-R28 WeakPolarHBondContact O-CB 3.32Å; V24-R28 VanDerWaalsContact O-CG 3.3Å; V24-R28 WeakPolarHBondContact O-CG 3.35Å; V24-R28 PolarHBondContact O-N 3.27Å; V24-V192 HydrophobicContact CB-CG2 4.42Å; V24-V192 HydrophobicContact CG1-CG1 4.33Å
25A95.4Very high95.3Very high0 Ų049.4 Ų49.40%026%0.26CS..Hα-helixtrans-61-47.3174.500000111.6A21 A22 K27 R28 G29 F30 A34 Y37 L195A21-A25 WeakPolarHBondContact O-CB 3.5Å; A21-A25 PolarHBondContact O-N 3.43Å; A22-A25 PolarHBondContact O-N 2.94Å; A25-K27 PolarHBondContact O-N 3.47Å; A25-R28 CarbonylContact O-C 3.56Å; A25-R28 PolarHBondContact O-N 3.21Å; A25-R28 VanDerWaalsContact O-N 3.08Å; A25-G29 PolarHBondContact O-N 3.11Å; A25-G29 VanDerWaalsContact O-N 3.17Å; A25-F30 HydrophobicContact CB-CB 4.24Å; A25-F30 PolarHBondContact O-N 2.87Å; A25-A34 HydrophobicContact CB-CB 3.82Å; A25-Y37 HydrophobicContact CB-CD2 4.1Å; A25-Y37 HydrophobicContact CB-CE2 3.88Å; A25-L195 HydrophobicContact CB-CD2 3.61Å
26T94.4Very high95.4Very high67 Ų6750.5 Ų50.541%0.41127%0.267SS..Hα-helixtrans-57.4-48.1175.1-55.40000111.5A22 R28 G29 A34A22-T26 WeakPolarHBondContact O-CB 3.36Å; A22-T26 PolarHBondContact O-N 3.42Å; A22-T26 PolarHBondContact O-OG1 3.36Å; T26-R28 PolarHBondContact O-N 3Å; T26-G29 PolarHBondContact O-N 3.45Å; T26-A34 VanDerWaalsContact OG1-CB 3.26Å; T26-A34 WeakPolarHBondContact OG1-CB 3.37Å
27K93.4Very high95.4Very high188 Ų18846.9 Ų46.982%0.81725%0.247SC*.Hα-helixtrans-65.8-18.4177.5-74.9179.8178.3-177.10114.5S23 V24 A25S23-K27 WeakPolarHBondContact O-CB 3.46Å; S23-K27 WeakPolarHBondContact O-CG 3.27Å; S23-K27 PolarHBondContact O-N 2.95Å; V24-K27 PolarHBondContact O-N 2.72Å; A25-K27 PolarHBondContact O-N 3.47Å
28R93Very high95.5Very high58 Ų5849.9 Ų49.922%0.21926%0.258CS..THydrogen-bonded Turntrans-962.9173.4-67.1174.5-173.3173.913.6112.7V24 A25 T26 F30 V192 L195 P196 N199V24-R28 VanDerWaalsContact CG1-NE 3.34Å; V24-R28 VanDerWaalsContact CG1-NH2 3.33Å; V24-R28 WeakPolarHBondContact O-CB 3.32Å; V24-R28 VanDerWaalsContact O-CG 3.3Å; V24-R28 WeakPolarHBondContact O-CG 3.35Å; V24-R28 PolarHBondContact O-N 3.27Å; A25-R28 CarbonylContact O-C 3.56Å; A25-R28 PolarHBondContact O-N 3.21Å; A25-R28 VanDerWaalsContact O-N 3.08Å; T26-R28 PolarHBondContact O-N 3Å; R28-F30 HydrophobicContact CB-CD2 3.73Å; R28-F30 HydrophobicContact CB-CE2 4.22Å; R28-F30 WeakPolarHBondContact O-CD2 3.37Å; R28-V192 PolarHBondContact NH1-O 2.88Å; R28-V192 PolarHBondContact NH2-O 3.04Å; R28-L195 PolarHBondContact NH1-O 2.93Å; R28-P196 WeakPolarHBondContact CD-O 3.35Å; R28-N199 VanDerWaalsContact O-CB 3.28Å; R28-N199 WeakPolarHBondContact O-CB 3.47Å; R28-N199 PolarHBondContact O-N 2.92Å
29G91.4Very high95.5Very high11 Ų1152.8 Ų52.811%0.11327%0.271CS..THydrogen-bonded Turntrans78.515.1-179.300000115A25 T26 H31 N199A25-G29 PolarHBondContact O-N 3.11Å; A25-G29 VanDerWaalsContact O-N 3.17Å; T26-G29 PolarHBondContact O-N 3.45Å; G29-H31 PolarHBondContact O-N 2.89Å; G29-N199 PolarHBondContact O-ND2 2.87Å
30F93.4Very high95.5Very high5 Ų549.7 Ų49.72%0.02225%0.254CS..  trans-94.272.6179.5-74.7-84.3000110.3A25 R28 E33 A34 A84 L195 P196 N199A25-F30 HydrophobicContact CB-CB 4.24Å; A25-F30 PolarHBondContact O-N 2.87Å; R28-F30 HydrophobicContact CB-CD2 3.73Å; R28-F30 HydrophobicContact CB-CE2 4.22Å; R28-F30 WeakPolarHBondContact O-CD2 3.37Å; F30-E33 VanDerWaalsContact C-OE2 3.26Å; F30-E33 WeakPolarHBondContact CA-OE2 3.5Å; F30-E33 HydrophobicContact CB-CB 4.15Å; F30-E33 HydrophobicContact CB-CG 4.33Å; F30-E33 WeakPolarHBondContact CB-OE2 3.38Å; F30-E33 HydrophobicContact CD1-CG 4.37Å; F30-A34 WeakPolarHBondContact O-CB 3.48Å; F30-A34 PolarHBondContact O-N 3.3Å; F30-A84 HydrophobicContact CD1-CB 4.15Å; F30-A84 HydrophobicContact CE1-CB 3.9Å; F30-L195 HydrophobicContact CB-CD1 4.16Å; F30-L195 HydrophobicContact CB-CD2 4.08Å; F30-L195 HydrophobicContact CD1-CD1 3.79Å; F30-L195 HydrophobicContact CD2-CD1 4.04Å; F30-L195 HydrophobicContact CD2-CD2 4.04Å; F30-L195 HydrophobicContact CD2-CG 3.94Å; F30-L195 HydrophobicContact CE1-CD1 4.15Å; F30-L195 HydrophobicContact CE2-CD1 4.37Å; F30-L195 HydrophobicContact CE2-CG 4.25Å; F30-L195 HydrophobicContact CG-CD1 3.74Å; F30-L195 HydrophobicContact CG-CD2 4.15Å; F30-L195 HydrophobicContact CG-CG 4.12Å; F30-L195 HydrophobicContact CZ-CD1 4.43Å; F30-P196 HydrophobicContact CE2-CB 4.27Å; F30-P196 VanDerWaalsContact CE2-O 3.25Å; F30-P196 WeakPolarHBondContact CE2-O 3.49Å; F30-P196 HydrophobicContact CZ-CB 3.94Å; F30-P196 HydrophobicContact CZ-CG 4.05Å; F30-N199 HydrophobicContact CD1-CB 4.37Å; F30-N199 HydrophobicContact CD2-CB 3.86Å; F30-N199 HydrophobicContact CE1-CB 4.07Å; F30-N199 HydrophobicContact CE2-CB 3.53Å; F30-N199 HydrophobicContact CG-CB 4.28Å; F30-N199 HydrophobicContact CZ-CB 3.64Å
31H93.1Very high95.6Very high109 Ų10946.8 Ų46.851%0.50523%0.234SC..Hα-helixtrans-72.5-34.3-170.6-63.1-67.7000114.3G29 M35G29-H31 PolarHBondContact O-N 2.89Å; H31-M35 VanDerWaalsContact O-CG 3.3Å; H31-M35 WeakPolarHBondContact O-CG 3.33Å; H31-M35 PolarHBondContact O-N 3.44Å; H31-M35 VanDerWaalsContact O-N 3.11Å
32M93.6Very high95.7Very high93 Ų9350.6 Ų50.646%0.45825%0.251SS..Hα-helixtrans-67.8-45.4175.5-72.8-146.3-60.600110.8A34 M35 V36 T97M32-A34 VanDerWaalsContact C-N 3.32Å; M32-A34 PolarHBondContact O-N 3.43Å; M32-M35 PolarHBondContact O-N 2.81Å; M32-V36 WeakPolarHBondContact O-CG2 3.47Å; M32-V36 PolarHBondContact O-N 3.48Å; M32-T97 HydrophobicContact CE-CG2 3.97Å
33E95.6Very high95.7Very high3 Ų351.4 Ų51.41%0.01425%0.253CS..Hα-helixtrans-61.5-41.6177.9-59.576.7-178.400110.6F30 M35 V36 Y37 V80 A84 R93 L195F30-E33 VanDerWaalsContact C-OE2 3.26Å; F30-E33 WeakPolarHBondContact CA-OE2 3.5Å; F30-E33 HydrophobicContact CB-CB 4.15Å; F30-E33 HydrophobicContact CB-CG 4.33Å; F30-E33 WeakPolarHBondContact CB-OE2 3.38Å; F30-E33 HydrophobicContact CD1-CG 4.37Å; E33-M35 PolarHBondContact O-N 2.94Å; E33-V36 PolarHBondContact O-N 2.8Å; E33-Y37 HydrophobicContact CB-CE2 4.37Å; E33-Y37 VanDerWaalsContact O-CD1 3.31Å; E33-Y37 WeakPolarHBondContact O-CD1 3.29Å; E33-Y37 WeakPolarHBondContact O-CD2 3.3Å; E33-Y37 PolarHBondContact O-N 3.28Å; E33-V80 HydrophobicContact CB-CG2 4.26Å; E33-V80 HydrophobicContact CG-CB 4.18Å; E33-V80 HydrophobicContact CG-CG2 4Å; E33-A84 HydrophobicContact CG-CB 4.25Å; E33-R93 IonicContact OE1-CZ 2.65Å; E33-R93 IonicContact OE1-NE 2.7Å; E33-R93 IonicContact OE1-NH2 3.61Å; E33-R93 PolarHBondContact OE1-NH2 2.85Å; E33-R93 IonicContact OE2-NH2 3.7Å; E33-L195 HydrophobicContact CB-CD1 4.49Å; E33-L195 HydrophobicContact CG-CD1 4.24Å
34A97.1Very high95.7Very high3 Ų348.4 Ų48.43%0.02523%0.232CC..Hα-helixtrans-60.5-42.3174.100000113.5A22 A25 T26 F30 M32 Y37 F38A22-A34 WeakPolarHBondContact O-CB 3.34Å; A25-A34 HydrophobicContact CB-CB 3.82Å; T26-A34 VanDerWaalsContact OG1-CB 3.26Å; T26-A34 WeakPolarHBondContact OG1-CB 3.37Å; F30-A34 WeakPolarHBondContact O-CB 3.48Å; F30-A34 PolarHBondContact O-N 3.3Å; M32-A34 VanDerWaalsContact C-N 3.32Å; M32-A34 PolarHBondContact O-N 3.43Å; A34-Y37 PolarHBondContact O-N 2.85Å; A34-F38 WeakPolarHBondContact O-CB 3.42Å; A34-F38 PolarHBondContact O-N 3.14Å
35M96.8Very high95.7Very high132 Ų13247.7 Ų47.765%0.6523%0.228SC*.Hα-helixtrans-66.7-37.7176.8-69.2-65.7159.900111.7H31 M32 E33 F38 F39H31-M35 VanDerWaalsContact O-CG 3.3Å; H31-M35 WeakPolarHBondContact O-CG 3.33Å; H31-M35 PolarHBondContact O-N 3.44Å; H31-M35 VanDerWaalsContact O-N 3.11Å; M32-M35 PolarHBondContact O-N 2.81Å; E33-M35 PolarHBondContact O-N 2.94Å; M35-F38 PolarHBondContact O-N 3.37Å; M35-F39 WeakPolarHBondContact O-CB 3.48Å; M35-F39 PolarHBondContact O-N 3.46Å
36V97.6Very high95.6Very high23 Ų2349.3 Ų49.314%0.13924%0.236CC..Hα-helixtrans-66.8-41.3175.4169.30000111.8M32 E33 F39 T40 I76 S77 V80M32-V36 WeakPolarHBondContact O-CG2 3.47Å; M32-V36 PolarHBondContact O-N 3.48Å; E33-V36 PolarHBondContact O-N 2.8Å; V36-F39 PolarHBondContact O-N 3.48Å; V36-T40 WeakPolarHBondContact O-CB 3.45Å; V36-T40 PolarHBondContact O-N 2.98Å; V36-T40 PolarHBondContact O-OG1 3.24Å; V36-I76 HydrophobicContact CG1-CB 4.46Å; V36-I76 HydrophobicContact CG1-CD1 3.8Å; V36-I76 HydrophobicContact CG1-CG1 3.69Å; V36-I76 HydrophobicContact CG2-CD1 4.1Å; V36-S77 WeakPolarHBondContact CG1-OG 3.44Å; V36-V80 HydrophobicContact CB-CG2 4.21Å; V36-V80 HydrophobicContact CG1-CG2 3.96Å
37Y98.2Very high95.6Very high1 Ų147.1 Ų47.10%0.00422%0.22CC..Hα-helixtrans-66.5-37.2174.4-57.3-16.8000111.8A21 A25 E33 A34 T40 M41 V80 T81 F191A21-Y37 HydrophobicContact CB-CD2 3.97Å; A21-Y37 HydrophobicContact CB-CE2 4.49Å; A25-Y37 HydrophobicContact CB-CD2 4.1Å; A25-Y37 HydrophobicContact CB-CE2 3.88Å; E33-Y37 HydrophobicContact CB-CE2 4.37Å; E33-Y37 VanDerWaalsContact O-CD1 3.31Å; E33-Y37 WeakPolarHBondContact O-CD1 3.29Å; E33-Y37 WeakPolarHBondContact O-CD2 3.3Å; E33-Y37 PolarHBondContact O-N 3.28Å; A34-Y37 PolarHBondContact O-N 2.85Å; Y37-T40 PolarHBondContact O-N 3.38Å; Y37-M41 WeakPolarHBondContact O-CB 3.27Å; Y37-M41 PolarHBondContact O-N 3.37Å; Y37-V80 HydrophobicContact CE1-CG2 4.33Å; Y37-T81 PolarHBondContact OH-OG1 2.87Å; Y37-F191 HydrophobicContact CD1-CD2 4.1Å; Y37-F191 HydrophobicContact CD1-CE2 4.42Å; Y37-F191 HydrophobicContact CE1-CB 4.47Å; Y37-F191 HydrophobicContact CE1-CD2 4Å; Y37-F191 HydrophobicContact CE1-CE2 4.47Å; Y37-F191 HydrophobicContact CE1-CG 4.24Å; Y37-F191 HydrophobicContact CE2-CB 4.34Å
38F98Very high95.6Very high101 Ų10138.2 Ų38.244%0.44318%0.182SC..Hα-helixtrans-68.2-41.7175.2-176.9-92000112.5L19 A22 A34 M35 T40 M41 F42L19-F38 HydrophobicContact CD2-CD2 3.92Å; L19-F38 HydrophobicContact CD2-CE2 4.04Å; A22-F38 HydrophobicContact CB-CB 4.46Å; A34-F38 WeakPolarHBondContact O-CB 3.42Å; A34-F38 PolarHBondContact O-N 3.14Å; M35-F38 PolarHBondContact O-N 3.37Å; F38-T40 VanDerWaalsContact C-N 3.33Å; F38-T40 PolarHBondContact O-N 3.16Å; F38-M41 HydrophobicContact CD2-CE 3.74Å; F38-M41 HydrophobicContact CE2-CE 3.57Å; F38-M41 HydrophobicContact CG-CE 4.44Å; F38-M41 HydrophobicContact CZ-CE 4.13Å; F38-M41 WeakPolarHBondContact O-CB 3.15Å; F38-M41 PolarHBondContact O-N 2.79Å; F38-F42 WeakPolarHBondContact O-CB 3.43Å; F38-F42 PolarHBondContact O-N 2.66Å
39F97.6Very high95.6Very high61 Ų6136.3 Ų36.327%0.26818%0.178SC..Hα-helixtrans-56.5-47.9172.3173.4-82.9000111.1M35 V36 F42 F43 F69 Y72M35-F39 WeakPolarHBondContact O-CB 3.48Å; M35-F39 PolarHBondContact O-N 3.46Å; V36-F39 PolarHBondContact O-N 3.48Å; F39-F42 PolarHBondContact O-N 3.02Å; F39-F43 HydrophobicContact CD1-CD2 4.16Å; F39-F43 AromaticContact CD2-CD2 3.93Å; F39-F43 HydrophobicContact CD2-CD2 3.93Å; F39-F43 AromaticContact CD2-CE2 3.79Å; F39-F43 HydrophobicContact CD2-CE2 3.79Å; F39-F43 AromaticContact CE1-CD2 3.87Å; F39-F43 HydrophobicContact CE1-CD2 3.87Å; F39-F43 HydrophobicContact CE1-CE2 4.37Å; F39-F43 AromaticContact CE2-CD2 3.66Å; F39-F43 HydrophobicContact CE2-CD2 3.66Å; F39-F43 AromaticContact CE2-CE2 3.34Å; F39-F43 HydrophobicContact CE2-CE2 3.34Å; F39-F43 HydrophobicContact CE2-CZ 4.39Å; F39-F43 HydrophobicContact CG-CD2 4.17Å; F39-F43 HydrophobicContact CG-CE2 4.48Å; F39-F43 AromaticContact CZ-CD2 3.6Å; F39-F43 HydrophobicContact CZ-CD2 3.6Å; F39-F43 AromaticContact CZ-CE2 3.66Å; F39-F43 HydrophobicContact CZ-CE2 3.66Å; F39-F43 WeakPolarHBondContact O-CD2 3.44Å; F39-F43 PolarHBondContact O-N 2.68Å; F39-F69 HydrophobicContact CZ-CB 4.28Å; F39-F69 AromaticContact CZ-CD1 3.89Å; F39-F69 HydrophobicContact CZ-CD1 3.89Å; F39-F69 HydrophobicContact CZ-CG 4.34Å; F39-Y72 AromaticContact CE1-CD1 3.99Å; F39-Y72 HydrophobicContact CE1-CD1 3.99Å; F39-Y72 HydrophobicContact CE1-CE1 4.45Å; F39-Y72 HydrophobicContact CZ-CD1 4.15Å; F39-Y72 HydrophobicContact CZ-CE1 4.41Å
40T97.5Very high95.6Very high0 Ų036 Ų360%018%0.175CC..Hα-helixtrans-60.4-51177.9-540000110.7F18 V36 Y37 F38 F42 F43 T44 G73 S77F18-T40 HydrophobicContact CD2-CG2 4.46Å; F18-T40 HydrophobicContact CE2-CG2 4.34Å; V36-T40 WeakPolarHBondContact O-CB 3.45Å; V36-T40 PolarHBondContact O-N 2.98Å; V36-T40 PolarHBondContact O-OG1 3.24Å; Y37-T40 PolarHBondContact O-N 3.38Å; F38-T40 VanDerWaalsContact C-N 3.33Å; F38-T40 PolarHBondContact O-N 3.16Å; T40-F42 VanDerWaalsContact C-N 3.31Å; T40-F42 PolarHBondContact O-N 3.36Å; T40-F43 PolarHBondContact O-N 2.85Å; T40-T44 VanDerWaalsContact O-CB 3.31Å; T40-T44 WeakPolarHBondContact O-CB 3.25Å; T40-T44 PolarHBondContact O-N 3.3Å; T40-T44 PolarHBondContact O-OG1 3.42Å; T40-G73 VanDerWaalsContact OG1-CA 3.31Å; T40-G73 WeakPolarHBondContact OG1-CA 3.31Å; T40-G73 PolarHBondContact OG1-O 3.03Å; T40-S77 PolarHBondContact OG1-OG 2.87Å
41M97.8Very high95.2Very high16 Ų1639.6 Ų39.68%0.07919%0.194CC..Hα-helixtrans-52.3-48.4175.6-171.8-85-46.900112.3L16 F18 L19 Y37 F38 T45L16-M41 HydrophobicContact CD2-SD 3.89Å; F18-M41 HydrophobicContact CB-CB 3.72Å; F18-M41 HydrophobicContact CB-CG 4.08Å; L19-M41 HydrophobicContact CD1-CE 4.35Å; L19-M41 HydrophobicContact CD1-SD 4.17Å; L19-M41 HydrophobicContact CD2-CE 3.79Å; L19-M41 HydrophobicContact CG-CE 3.97Å; L19-M41 HydrophobicContact CG-CG 4.01Å; L19-M41 HydrophobicContact CG-SD 4.02Å; Y37-M41 WeakPolarHBondContact O-CB 3.27Å; Y37-M41 PolarHBondContact O-N 3.37Å; F38-M41 HydrophobicContact CD2-CE 3.74Å; F38-M41 HydrophobicContact CE2-CE 3.57Å; F38-M41 HydrophobicContact CG-CE 4.44Å; F38-M41 HydrophobicContact CZ-CE 4.13Å; F38-M41 WeakPolarHBondContact O-CB 3.15Å; F38-M41 PolarHBondContact O-N 2.79Å; M41-T45 WeakPolarHBondContact O-CB 3.47Å; M41-T45 PolarHBondContact O-N 2.75Å; M41-T45 PolarHBondContact O-OG1 2.93Å
42F96.4Very high94.8Very high81 Ų8134.4 Ų34.436%0.35517%0.17SC..Hα-helixtrans-61.4-52.3-179.2175.7-93.7000111.9F38 F39 T40 I46 F60F38-F42 WeakPolarHBondContact O-CB 3.43Å; F38-F42 PolarHBondContact O-N 2.66Å; F39-F42 PolarHBondContact O-N 3.02Å; T40-F42 VanDerWaalsContact C-N 3.31Å; T40-F42 PolarHBondContact O-N 3.36Å; F42-I46 HydrophobicContact CD1-CD1 4.19Å; F42-I46 HydrophobicContact CD2-CD1 3.96Å; F42-I46 HydrophobicContact CE1-CD1 3.77Å; F42-I46 HydrophobicContact CE2-CD1 3.52Å; F42-I46 HydrophobicContact CG-CD1 4.28Å; F42-I46 HydrophobicContact CZ-CD1 3.42Å; F42-I46 VanDerWaalsContact CZ-CD1 3.42Å; F42-I46 WeakPolarHBondContact O-CG1 3.32Å; F42-I46 PolarHBondContact O-N 3.47Å; F42-I46 VanDerWaalsContact O-N 3.08Å; F42-F60 HydrophobicContact CE1-CE1 4.41Å; F42-F60 HydrophobicContact CE1-CZ 4.25Å; F42-F60 HydrophobicContact CZ-CE1 4.37Å; F42-F60 HydrophobicContact CZ-CZ 4.44Å
43F96.9Very high94Very high23 Ų2333.4 Ų33.410%0.10117%0.17CC..Hα-helixtrans-71.4-40.8-177.1-81.1-74.9000113.1F39 T40 I46 Y47 F60 L66 F69F39-F43 HydrophobicContact CD1-CD2 4.16Å; F39-F43 AromaticContact CD2-CD2 3.93Å; F39-F43 HydrophobicContact CD2-CD2 3.93Å; F39-F43 AromaticContact CD2-CE2 3.79Å; F39-F43 HydrophobicContact CD2-CE2 3.79Å; F39-F43 AromaticContact CE1-CD2 3.87Å; F39-F43 HydrophobicContact CE1-CD2 3.87Å; F39-F43 HydrophobicContact CE1-CE2 4.37Å; F39-F43 AromaticContact CE2-CD2 3.66Å; F39-F43 HydrophobicContact CE2-CD2 3.66Å; F39-F43 AromaticContact CE2-CE2 3.34Å; F39-F43 HydrophobicContact CE2-CE2 3.34Å; F39-F43 HydrophobicContact CE2-CZ 4.39Å; F39-F43 HydrophobicContact CG-CD2 4.17Å; F39-F43 HydrophobicContact CG-CE2 4.48Å; F39-F43 AromaticContact CZ-CD2 3.6Å; F39-F43 HydrophobicContact CZ-CD2 3.6Å; F39-F43 AromaticContact CZ-CE2 3.66Å; F39-F43 HydrophobicContact CZ-CE2 3.66Å; F39-F43 WeakPolarHBondContact O-CD2 3.44Å; F39-F43 PolarHBondContact O-N 2.68Å; T40-F43 PolarHBondContact O-N 2.85Å; F43-I46 PolarHBondContact O-N 3.45Å; F43-Y47 WeakPolarHBondContact O-CB 3.45Å; F43-Y47 PolarHBondContact O-N 3.44Å; F43-F60 HydrophobicContact CE1-CZ 4.27Å; F43-L66 HydrophobicContact CD1-CD2 4Å; F43-L66 HydrophobicContact CE1-CD2 4.22Å; F43-F69 HydrophobicContact CB-CB 3.97Å; F43-F69 HydrophobicContact CD1-CB 3.42Å; F43-F69 VanDerWaalsContact CD1-CB 3.42Å; F43-F69 AromaticContact CD1-CD2 3.98Å; F43-F69 HydrophobicContact CD1-CD2 3.98Å; F43-F69 HydrophobicContact CD1-CG 4.05Å; F43-F69 HydrophobicContact CD2-CB 3.99Å; F43-F69 HydrophobicContact CE1-CB 3.85Å; F43-F69 AromaticContact CE1-CD2 3.53Å; F43-F69 HydrophobicContact CE1-CD2 3.53Å; F43-F69 HydrophobicContact CE1-CE2 4.34Å; F43-F69 AromaticContact CE1-CG 3.94Å; F43-F69 HydrophobicContact CE1-CG 3.94Å; F43-F69 HydrophobicContact CE2-CB 4.38Å; F43-F69 HydrophobicContact CG-CB 3.5Å; F43-F69 HydrophobicContact CG-CG 4.38Å; F43-F69 HydrophobicContact CZ-CB 4.31Å; F43-F69 AromaticContact CZ-CD2 3.94Å; F43-F69 HydrophobicContact CZ-CD2 3.94Å; F43-F69 HydrophobicContact CZ-CE2 4.48Å; F43-F69 HydrophobicContact CZ-CG 4.18Å
44T96.1Very high93Very high1 Ų136.6 Ų36.61%0.00621%0.205CC..Hα-helixtrans-67.9-39.2177.5-51.60000111.7T40 Y47 H48 S70 H184T40-T44 VanDerWaalsContact O-CB 3.31Å; T40-T44 WeakPolarHBondContact O-CB 3.25Å; T40-T44 PolarHBondContact O-N 3.3Å; T40-T44 PolarHBondContact O-OG1 3.42Å; T44-Y47 PolarHBondContact O-N 3.48Å; T44-H48 PolarHBondContact O-CD2 2.96Å; T44-H48 PolarHBondContact O-N 3.42Å; T44-H48 VanDerWaalsContact O-N 3.13Å; T44-S70 WeakPolarHBondContact CA-OG 3.44Å; T44-S70 WeakPolarHBondContact CB-OG 3.42Å; T44-S70 WeakPolarHBondContact CG2-OG 3.07Å; T44-S70 PolarHBondContact OG1-OG 3.07Å; T44-H184 WeakPolarHBondContact CG2-NE2 3.44Å
45T95.4Very high92.1Very high25 Ų2539.1 Ų39.115%0.15322%0.217CC..Hα-helixtrans-62.6-45.7173.9-550000111.3T12 S15 L16 M41 A49T12-T45 HydrophobicContact CG2-CG2 3.93Å; S15-T45 WeakPolarHBondContact CB-OG1 3.47Å; L16-T45 HydrophobicContact CD2-CG2 4.17Å; M41-T45 WeakPolarHBondContact O-CB 3.47Å; M41-T45 PolarHBondContact O-N 2.75Å; M41-T45 PolarHBondContact O-OG1 2.93Å; T45-A49 VanDerWaalsContact O-CB 3.29Å; T45-A49 WeakPolarHBondContact O-CB 3.2Å; T45-A49 PolarHBondContact O-N 3.45Å
46I94.1Very high91.3Very high35 Ų3536.4 Ų36.418%0.17921%0.211CC..Hα-helixtrans-70.9-36-179.3-65.7173.7000111.5F42 F43 A49 C50 F60 L66F42-I46 HydrophobicContact CD1-CD1 4.19Å; F42-I46 HydrophobicContact CD2-CD1 3.96Å; F42-I46 HydrophobicContact CE1-CD1 3.77Å; F42-I46 HydrophobicContact CE2-CD1 3.52Å; F42-I46 HydrophobicContact CG-CD1 4.28Å; F42-I46 HydrophobicContact CZ-CD1 3.42Å; F42-I46 VanDerWaalsContact CZ-CD1 3.42Å; F42-I46 WeakPolarHBondContact O-CG1 3.32Å; F42-I46 PolarHBondContact O-N 3.47Å; F42-I46 VanDerWaalsContact O-N 3.08Å; F43-I46 PolarHBondContact O-N 3.45Å; I46-A49 PolarHBondContact O-N 2.89Å; I46-C50 WeakPolarHBondContact O-CB 3.44Å; I46-C50 PolarHBondContact O-N 3.15Å; I46-C50 PolarHBondContact O-SG 2.7Å; I46-C50 VanDerWaalsContact O-SG 3.36Å; I46-F60 HydrophobicContact CD1-CE1 3.94Å; I46-F60 HydrophobicContact CG2-CD1 4.4Å; I46-F60 HydrophobicContact CG2-CE1 4.12Å; I46-L66 HydrophobicContact CG2-CD1 4.07Å; I46-L66 HydrophobicContact CG2-CD2 3.92Å
47Y93.8Very high90.4Very high20 Ų2043 Ų438%0.07824%0.244CC..Hα-helixtrans-55.6-54.5173.4170-108.2000111.8F43 T44 A49 C50 D51 Y63 L66 E67F43-Y47 WeakPolarHBondContact O-CB 3.45Å; F43-Y47 PolarHBondContact O-N 3.44Å; T44-Y47 PolarHBondContact O-N 3.48Å; Y47-A49 PolarHBondContact O-N 3.49Å; Y47-C50 WeakPolarHBondContact O-CB 3.19Å; Y47-C50 PolarHBondContact O-N 3.48Å; Y47-C50 VanDerWaalsContact O-N 3.16Å; Y47-D51 PolarHBondContact O-N 3.24Å; Y47-D51 VanDerWaalsContact O-N 3.12Å; Y47-Y63 HydrophobicContact CD2-CE2 4.3Å; Y47-Y63 HydrophobicContact CE2-CD1 4.41Å; Y47-Y63 HydrophobicContact CE2-CD2 4.44Å; Y47-Y63 AromaticContact CE2-CE1 3.76Å; Y47-Y63 HydrophobicContact CE2-CE1 3.76Å; Y47-Y63 AromaticContact CE2-CE2 3.81Å; Y47-Y63 HydrophobicContact CE2-CE2 3.81Å; Y47-Y63 AromaticContact CE2-CZ 3.43Å; Y47-Y63 VanDerWaalsContact CE2-CZ 3.43Å; Y47-Y63 WeakPolarHBondContact CE2-OH 3.15Å; Y47-Y63 AromaticContact CZ-CZ 3.92Å; Y47-Y63 PolarHBondContact OH-OH 3.38Å; Y47-L66 HydrophobicContact CD2-CB 4.37Å; Y47-E67 HydrophobicContact CD2-CB 3.87Å; Y47-E67 HydrophobicContact CD2-CG 4.39Å; Y47-E67 HydrophobicContact CE2-CB 3.49Å; Y47-E67 VanDerWaalsContact CE2-CB 3.49Å; Y47-E67 HydrophobicContact CE2-CG 3.66Å
48H93.9Very high89.6Confident2 Ų248 Ų481%0.00927%0.27CS..Hα-helixtrans-71.8-27.4177.9-62-63000113.5P11 T12 T44 C50 D51 G52 Y176 H180 H184P11-H48 HydrophobicContact CB-CB 3.98Å; T12-H48 VanDerWaalsContact OG1-CB 3.24Å; T12-H48 WeakPolarHBondContact OG1-CB 3.48Å; T12-H48 PolarHBondContact OG1-O 3.2Å; T44-H48 PolarHBondContact O-CD2 2.96Å; T44-H48 PolarHBondContact O-N 3.42Å; T44-H48 VanDerWaalsContact O-N 3.13Å; H48-C50 VanDerWaalsContact C-N 3.29Å; H48-C50 PolarHBondContact O-N 3.25Å; H48-D51 PolarHBondContact O-N 3.43Å; H48-G52 PolarHBondContact O-N 2.88Å; H48-G52 VanDerWaalsContact O-N 3.16Å; H48-Y176 PolarHBondContact CE1-OH 3.42Å; H48-Y176 VanDerWaalsContact CE1-OH 3.3Å; H48-H180 AromaticContact CE1-CD2 3.53Å; H48-H180 AromaticContact CE1-NE2 3.49Å; H48-H180 PolarHBondContact CE1-NE2 2.98Å; H48-H180 AromaticContact NE2-CD2 3.54Å; H48-H180 AromaticContact NE2-NE2 3.46Å; H48-H180 PolarHBondContact NE2-NE2 3.21Å; H48-H184 AromaticContact CD2-CE1 3.82Å; H48-H184 AromaticContact NE2-CE1 3.42Å; H48-H184 PolarHBondContact NE2-CE1 3.42Å; H48-H184 AromaticContact NE2-NE2 3.85Å
49A92.6Very high89.2Confident17 Ų1745 Ų4514%0.1426%0.261CS..Hα-helixtrans-63.7-36.6169.700000111.6T12 T45 I46 Y47 G52 L55T12-A49 HydrophobicContact CG2-CB 3.91Å; T12-A49 PolarHBondContact OG1-N 2.94Å; T45-A49 VanDerWaalsContact O-CB 3.29Å; T45-A49 WeakPolarHBondContact O-CB 3.2Å; T45-A49 PolarHBondContact O-N 3.45Å; I46-A49 PolarHBondContact O-N 2.89Å; Y47-A49 PolarHBondContact O-N 3.49Å; A49-G52 PolarHBondContact O-N 3.5Å; A49-L55 WeakPolarHBondContact O-CB 3.27Å
50C91.6Very high88.8Confident6 Ų647.9 Ų47.94%0.04127%0.274CS..Hα-helixtrans-70.4-34.7177.1-81.40000114.1I46 Y47 H48 G52 S56 C59 L66I46-C50 WeakPolarHBondContact O-CB 3.44Å; I46-C50 PolarHBondContact O-N 3.15Å; I46-C50 PolarHBondContact O-SG 2.7Å; I46-C50 VanDerWaalsContact O-SG 3.36Å; Y47-C50 WeakPolarHBondContact O-CB 3.19Å; Y47-C50 PolarHBondContact O-N 3.48Å; Y47-C50 VanDerWaalsContact O-N 3.16Å; H48-C50 VanDerWaalsContact C-N 3.29Å; H48-C50 PolarHBondContact O-N 3.25Å; C50-G52 VanDerWaalsContact C-N 3.25Å; C50-S56 PolarHBondContact O-OG 2.91Å; C50-S56 VanDerWaalsContact O-OG 3.08Å; C50-C59 WeakPolarHBondContact CA-SG 3.13Å; C50-C59 HydrophobicContact CB-CB 4.36Å; C50-C59 WeakPolarHBondContact CB-SG 3.31Å; C50-C59 WeakPolarHBondContact SG-CA 3.11Å; C50-C59 WeakPolarHBondContact SG-CB 3.2Å; C50-C59 CovalentContact SG-SG 2.02Å; C50-C59 PolarHBondContact SG-SG 3.14Å; C50-L66 HydrophobicContact CB-CD1 4.28Å; C50-L66 WeakPolarHBondContact SG-CD1 3.46Å
51D86.6Confident88.5Confident79 Ų7950.8 Ų50.842%0.42229%0.288SS..Hα-helixtrans-69.1-22.9172.8-163.140.3000112.3Y47 H48 Y63Y47-D51 PolarHBondContact O-N 3.24Å; Y47-D51 VanDerWaalsContact O-N 3.12Å; H48-D51 PolarHBondContact O-N 3.43Å; D51-Y63 HydrophobicContact CB-CE2 4.15Å
52G83.7Confident88.2Confident1 Ų157.8 Ų57.81%0.0132%0.318CS..SBendtrans-67138.9-17900000114.4H48 A49 C50 G54 L55H48-G52 PolarHBondContact O-N 2.88Å; H48-G52 VanDerWaalsContact O-N 3.16Å; A49-G52 PolarHBondContact O-N 3.5Å; C50-G52 VanDerWaalsContact C-N 3.25Å; G52-G54 PolarHBondContact O-N 3.1Å; G52-G54 VanDerWaalsContact O-N 3.15Å; G52-L55 PolarHBondContact O-N 3.41Å; G52-L55 VanDerWaalsContact O-N 3.07Å
53P77Confident87.9Confident71 Ų7158.1 Ų58.146%0.46132%0.317SS..THydrogen-bonded Turntrans-62.2118.4-174.924.7-34.4000112.2M8 L55M8-P53 HydrophobicContact CB-CG 4.46Å; P53-L55 VanDerWaalsContact C-N 3.3Å; P53-L55 PolarHBondContact O-N 2.95Å
54G73.9Confident87.7Confident71 Ų7161.9 Ų61.973%0.73234%0.335SS*.THydrogen-bonded Turntrans82-3.4179.700000115.4G52G52-G54 PolarHBondContact O-N 3.1Å; G52-G54 VanDerWaalsContact O-N 3.15Å
55L79.8Confident87.5Confident56 Ų5665 Ų6529%0.29335%0.351SS..THydrogen-bonded Turntrans-93.2-5.9180-66.5-176.2000113.8L9 A49 G52 P53 I57 I58L9-L55 HydrophobicContact CD2-CD1 3.59Å; A49-L55 WeakPolarHBondContact O-CB 3.27Å; G52-L55 PolarHBondContact O-N 3.41Å; G52-L55 VanDerWaalsContact O-N 3.07Å; P53-L55 VanDerWaalsContact C-N 3.3Å; P53-L55 PolarHBondContact O-N 2.95Å; L55-I57 PolarHBondContact O-N 3.48Å; L55-I58 HydrophobicContact CB-CD1 4.49Å; L55-I58 HydrophobicContact CD2-CD1 3.97Å; L55-I58 WeakPolarHBondContact O-CB 3.23Å; L55-I58 WeakPolarHBondContact O-CG1 3.47Å; L55-I58 PolarHBondContact O-N 3.13Å
56S78.2Confident87.4Confident75 Ų7563.8 Ų63.852%0.52434%0.344SS..G310 helixtrans-59.2-12.5-179.3-38.30000114.7C50 I58 C59C50-S56 PolarHBondContact O-OG 2.91Å; C50-S56 VanDerWaalsContact O-OG 3.08Å; S56-I58 VanDerWaalsContact C-N 3.27Å; S56-I58 PolarHBondContact O-N 2.99Å; S56-C59 VanDerWaalsContact CA-SG 3.55Å; S56-C59 WeakPolarHBondContact O-CB 3.32Å; S56-C59 PolarHBondContact O-N 2.88Å; S56-C59 PolarHBondContact O-SG 2.88Å
57I78.6Confident87.4Confident160 Ų16062.4 Ų62.482%0.82134%0.337SS*.G310 helixtrans-73.7-14.8172.1-161.6165.1000113.6L55 C59L55-I57 PolarHBondContact O-N 3.48Å; I57-C59 VanDerWaalsContact C-N 3.31Å
58I83.2Confident87.4Confident107 Ų10763.7 Ų63.755%0.54934%0.342SS..G310 helixtrans-83.4-11.3176.5-56.5176.9000111L55 S56 F60L55-I58 HydrophobicContact CB-CD1 4.49Å; L55-I58 HydrophobicContact CD2-CD1 3.97Å; L55-I58 WeakPolarHBondContact O-CB 3.23Å; L55-I58 WeakPolarHBondContact O-CG1 3.47Å; L55-I58 PolarHBondContact O-N 3.13Å; S56-I58 VanDerWaalsContact C-N 3.27Å; S56-I58 PolarHBondContact O-N 2.99Å; I58-F60 PolarHBondContact O-N 3.38Å
59C89.1Confident87.5Confident38 Ų3866.2 Ų66.226%0.25735%0.353SS..  trans-71.996.3-176-53.40000112.5C50 S56 I57 M61C50-C59 WeakPolarHBondContact CA-SG 3.13Å; C50-C59 HydrophobicContact CB-CB 4.36Å; C50-C59 WeakPolarHBondContact CB-SG 3.31Å; C50-C59 WeakPolarHBondContact SG-CA 3.11Å; C50-C59 WeakPolarHBondContact SG-CB 3.2Å; C50-C59 CovalentContact SG-SG 2.02Å; C50-C59 PolarHBondContact SG-SG 3.14Å; S56-C59 VanDerWaalsContact CA-SG 3.55Å; S56-C59 WeakPolarHBondContact O-CB 3.32Å; S56-C59 PolarHBondContact O-N 2.88Å; S56-C59 PolarHBondContact O-SG 2.88Å; I57-C59 VanDerWaalsContact C-N 3.31Å; C59-M61 PolarHBondContact O-N 3.23Å; C59-M61 VanDerWaalsContact O-N 3.14Å
60F89.3Confident87.6Confident122 Ų12265.8 Ų65.854%0.53535%0.349SS..SBendtrans-67.4-6.4173.677.2-84.3000114.1F42 F43 I46 I58 L66F42-F60 HydrophobicContact CE1-CE1 4.41Å; F42-F60 HydrophobicContact CE1-CZ 4.25Å; F42-F60 HydrophobicContact CZ-CE1 4.37Å; F42-F60 HydrophobicContact CZ-CZ 4.44Å; F43-F60 HydrophobicContact CE1-CZ 4.27Å; I46-F60 HydrophobicContact CD1-CE1 3.94Å; I46-F60 HydrophobicContact CG2-CD1 4.4Å; I46-F60 HydrophobicContact CG2-CE1 4.12Å; I58-F60 PolarHBondContact O-N 3.38Å; F60-L66 HydrophobicContact CE1-CD2 4.01Å; F60-L66 HydrophobicContact CZ-CD2 4.23Å
61M90.3Very high87.8Confident60 Ų6065.8 Ų65.830%0.29635%0.349SS..SBendtrans-149156.7-173.3-172.7176.8-76.300110.1C59 I65 L66 F69C59-M61 PolarHBondContact O-N 3.23Å; C59-M61 VanDerWaalsContact O-N 3.14Å; M61-I65 HydrophobicContact CG-CB 3.92Å; M61-I65 HydrophobicContact CG-CD1 4.16Å; M61-I65 HydrophobicContact CG-CG2 4.27Å; M61-I65 HydrophobicContact SD-CB 3.71Å; M61-I65 HydrophobicContact SD-CG2 3.46Å; M61-I65 WeakPolarHBondContact SD-CG2 3.49Å; M61-L66 HydrophobicContact CB-CD2 4.19Å; M61-L66 HydrophobicContact CB-CG 4.2Å; M61-F69 HydrophobicContact CE-CE2 4.36Å; M61-F69 HydrophobicContact SD-CD2 4.17Å; M61-F69 HydrophobicContact SD-CE2 3.98Å
62K91.4Very high88.3Confident163 Ų16363.7 Ų63.771%0.70934%0.335SS*.  trans-60.7139.8176.2-63.6-176.6178.8-176.60111.4E64 I65 L66K62-E64 PolarHBondContact O-N 3.22Å; K62-I65 HydrophobicContact CB-CD1 4.04Å; K62-I65 HydrophobicContact CB-CG1 4.15Å; K62-I65 HydrophobicContact CD-CD1 4.46Å; K62-I65 HydrophobicContact CG-CD1 4.49Å; K62-I65 PolarHBondContact O-N 2.99Å; K62-L66 PolarHBondContact O-N 3.23Å
63Y90.8Very high88.9Confident89 Ų8963.7 Ų63.735%0.34933%0.334SS..Hα-helixtrans-44.9-53.8177.9-175.2-89.6000113.2Y47 D51 I65 L66 E67Y47-Y63 HydrophobicContact CD2-CE2 4.3Å; Y47-Y63 HydrophobicContact CE2-CD1 4.41Å; Y47-Y63 HydrophobicContact CE2-CD2 4.44Å; Y47-Y63 AromaticContact CE2-CE1 3.76Å; Y47-Y63 HydrophobicContact CE2-CE1 3.76Å; Y47-Y63 AromaticContact CE2-CE2 3.81Å; Y47-Y63 HydrophobicContact CE2-CE2 3.81Å; Y47-Y63 AromaticContact CE2-CZ 3.43Å; Y47-Y63 VanDerWaalsContact CE2-CZ 3.43Å; Y47-Y63 WeakPolarHBondContact CE2-OH 3.15Å; Y47-Y63 AromaticContact CZ-CZ 3.92Å; Y47-Y63 PolarHBondContact OH-OH 3.38Å; D51-Y63 HydrophobicContact CB-CE2 4.15Å; Y63-I65 PolarHBondContact O-N 3.2Å; Y63-L66 WeakPolarHBondContact O-CB 3.18Å; Y63-L66 PolarHBondContact O-N 3.39Å; Y63-E67 PolarHBondContact O-N 2.72Å
64E91.4Very high89.8Confident101 Ų10160.5 Ų60.547%0.47231%0.314SS..Hα-helixtrans-45-36.5175.3-63.8-63123.700115.3K62 Y68 R112K62-E64 PolarHBondContact O-N 3.22Å; E64-Y68 WeakPolarHBondContact O-CB 3.49Å; E64-Y68 PolarHBondContact O-N 3.38Å; E64-Y68 VanDerWaalsContact O-N 3.13Å; E64-R112 IonicContact OE2-CZ 3.21Å; E64-R112 IonicContact OE2-NH1 3.31Å; E64-R112 PolarHBondContact OE2-NH1 3Å; E64-R112 IonicContact OE2-NH2 2.72Å; E64-R112 PolarHBondContact OE2-NH2 3.31Å
65I92.8Very high90.8Very high67 Ų6757.1 Ų57.134%0.34428%0.279SS..Hα-helixtrans-90.1-32.4-173.8-44.2173.6000109.9M61 K62 Y63 F69M61-I65 HydrophobicContact CG-CB 3.92Å; M61-I65 HydrophobicContact CG-CD1 4.16Å; M61-I65 HydrophobicContact CG-CG2 4.27Å; M61-I65 HydrophobicContact SD-CB 3.71Å; M61-I65 HydrophobicContact SD-CG2 3.46Å; M61-I65 WeakPolarHBondContact SD-CG2 3.49Å; K62-I65 HydrophobicContact CB-CD1 4.04Å; K62-I65 HydrophobicContact CB-CG1 4.15Å; K62-I65 HydrophobicContact CD-CD1 4.46Å; K62-I65 HydrophobicContact CG-CD1 4.49Å; K62-I65 PolarHBondContact O-N 2.99Å; Y63-I65 PolarHBondContact O-N 3.2Å; I65-F69 HydrophobicContact CG2-CD2 3.94Å; I65-F69 HydrophobicContact CG2-CE2 3.61Å; I65-F69 HydrophobicContact CG2-CZ 4.44Å; I65-F69 WeakPolarHBondContact O-CD2 3.4Å; I65-F69 PolarHBondContact O-N 3.01Å
66L93.3Very high91.6Very high0 Ų055 Ų550%027%0.268CS..Hα-helixtrans-65.4-41.8169.3-65.9169.4000111.1F43 I46 Y47 C50 F60 M61 K62 Y63 F69 S70F43-L66 HydrophobicContact CD1-CD2 4Å; F43-L66 HydrophobicContact CE1-CD2 4.22Å; I46-L66 HydrophobicContact CG2-CD1 4.07Å; I46-L66 HydrophobicContact CG2-CD2 3.92Å; Y47-L66 HydrophobicContact CD2-CB 4.37Å; C50-L66 HydrophobicContact CB-CD1 4.28Å; C50-L66 WeakPolarHBondContact SG-CD1 3.46Å; F60-L66 HydrophobicContact CE1-CD2 4.01Å; F60-L66 HydrophobicContact CZ-CD2 4.23Å; M61-L66 HydrophobicContact CB-CD2 4.19Å; M61-L66 HydrophobicContact CB-CG 4.2Å; K62-L66 PolarHBondContact O-N 3.23Å; Y63-L66 WeakPolarHBondContact O-CB 3.18Å; Y63-L66 PolarHBondContact O-N 3.39Å; L66-F69 PolarHBondContact O-N 3.48Å; L66-S70 VanDerWaalsContact O-CB 3.32Å; L66-S70 WeakPolarHBondContact O-CB 3.17Å; L66-S70 PolarHBondContact O-N 2.81Å
67E93.5Very high92.5Very high6 Ų651.4 Ų51.43%0.02824%0.243CC..Hα-helixtrans-59.1-53172.4-167.5-156.3164.800110.7Y47 Y63 F69 S70 V71 R112 W113Y47-E67 HydrophobicContact CD2-CB 3.87Å; Y47-E67 HydrophobicContact CD2-CG 4.39Å; Y47-E67 HydrophobicContact CE2-CB 3.49Å; Y47-E67 VanDerWaalsContact CE2-CB 3.49Å; Y47-E67 HydrophobicContact CE2-CG 3.66Å; Y63-E67 PolarHBondContact O-N 2.72Å; E67-F69 VanDerWaalsContact C-N 3.31Å; E67-F69 PolarHBondContact O-N 2.88Å; E67-S70 WeakPolarHBondContact O-CB 3.25Å; E67-S70 PolarHBondContact O-N 2.85Å; E67-S70 VanDerWaalsContact O-N 3.08Å; E67-V71 HydrophobicContact CG-CG2 4.47Å; E67-V71 WeakPolarHBondContact O-CG2 3.32Å; E67-V71 PolarHBondContact O-N 2.8Å; E67-R112 WeakPolarHBondContact OE1-CD 3.41Å; E67-R112 VanDerWaalsContact OE2-CD 3.28Å; E67-R112 WeakPolarHBondContact OE2-CD 3.43Å; E67-R112 IonicContact OE2-CZ 3.9Å; E67-R112 IonicContact OE2-NE 3.38Å; E67-R112 IonicContact OE2-NH1 2.8Å; E67-R112 PolarHBondContact OE2-NH1 3.04Å; E67-W113 VanDerWaalsContact OE1-CZ2 3.31Å; E67-W113 WeakPolarHBondContact OE1-CZ2 3.27Å
68Y94.8Very high93.4Very high47 Ų4744.5 Ų44.518%0.18421%0.208CC..Hα-helixtrans-52-48.2176.9172.6-88.8000111.6E64 Y72 A105 I108E64-Y68 WeakPolarHBondContact O-CB 3.49Å; E64-Y68 PolarHBondContact O-N 3.38Å; E64-Y68 VanDerWaalsContact O-N 3.13Å; Y68-Y72 WeakPolarHBondContact O-CB 3.36Å; Y68-Y72 PolarHBondContact O-N 2.84Å; Y68-A105 PolarHBondContact OH-O 3.02Å; Y68-I108 HydrophobicContact CD2-CG2 3.69Å; Y68-I108 HydrophobicContact CE2-CB 4.16Å; Y68-I108 HydrophobicContact CE2-CG2 3.77Å
69F95.4Very high94.1Very high55 Ų5539.6 Ų39.624%0.24118%0.182CC..Hα-helixtrans-71-30.1179.3-72.9-51.4000113.9F39 F43 M61 I65 L66 E67 Y72 G73F39-F69 HydrophobicContact CZ-CB 4.28Å; F39-F69 AromaticContact CZ-CD1 3.89Å; F39-F69 HydrophobicContact CZ-CD1 3.89Å; F39-F69 HydrophobicContact CZ-CG 4.34Å; F43-F69 HydrophobicContact CB-CB 3.97Å; F43-F69 HydrophobicContact CD1-CB 3.42Å; F43-F69 VanDerWaalsContact CD1-CB 3.42Å; F43-F69 AromaticContact CD1-CD2 3.98Å; F43-F69 HydrophobicContact CD1-CD2 3.98Å; F43-F69 HydrophobicContact CD1-CG 4.05Å; F43-F69 HydrophobicContact CD2-CB 3.99Å; F43-F69 HydrophobicContact CE1-CB 3.85Å; F43-F69 AromaticContact CE1-CD2 3.53Å; F43-F69 HydrophobicContact CE1-CD2 3.53Å; F43-F69 HydrophobicContact CE1-CE2 4.34Å; F43-F69 AromaticContact CE1-CG 3.94Å; F43-F69 HydrophobicContact CE1-CG 3.94Å; F43-F69 HydrophobicContact CE2-CB 4.38Å; F43-F69 HydrophobicContact CG-CB 3.5Å; F43-F69 HydrophobicContact CG-CG 4.38Å; F43-F69 HydrophobicContact CZ-CB 4.31Å; F43-F69 AromaticContact CZ-CD2 3.94Å; F43-F69 HydrophobicContact CZ-CD2 3.94Å; F43-F69 HydrophobicContact CZ-CE2 4.48Å; F43-F69 HydrophobicContact CZ-CG 4.18Å; M61-F69 HydrophobicContact CE-CE2 4.36Å; M61-F69 HydrophobicContact SD-CD2 4.17Å; M61-F69 HydrophobicContact SD-CE2 3.98Å; I65-F69 HydrophobicContact CG2-CD2 3.94Å; I65-F69 HydrophobicContact CG2-CE2 3.61Å; I65-F69 HydrophobicContact CG2-CZ 4.44Å; I65-F69 WeakPolarHBondContact O-CD2 3.4Å; I65-F69 PolarHBondContact O-N 3.01Å; L66-F69 PolarHBondContact O-N 3.48Å; E67-F69 VanDerWaalsContact C-N 3.31Å; E67-F69 PolarHBondContact O-N 2.88Å; F69-Y72 HydrophobicContact CD1-CD1 4.45Å; F69-G73 PolarHBondContact O-N 3.24Å
70S95.6Very high94.4Very high8 Ų838 Ų386%0.05617%0.171CC..Hα-helixtrans-65.3-51.7172.8178.60000111.5T44 L66 E67 Y72 G73 T74T44-S70 WeakPolarHBondContact CA-OG 3.44Å; T44-S70 WeakPolarHBondContact CB-OG 3.42Å; T44-S70 WeakPolarHBondContact CG2-OG 3.07Å; T44-S70 PolarHBondContact OG1-OG 3.07Å; L66-S70 VanDerWaalsContact O-CB 3.32Å; L66-S70 WeakPolarHBondContact O-CB 3.17Å; L66-S70 PolarHBondContact O-N 2.81Å; E67-S70 WeakPolarHBondContact O-CB 3.25Å; E67-S70 PolarHBondContact O-N 2.85Å; E67-S70 VanDerWaalsContact O-N 3.08Å; S70-Y72 PolarHBondContact O-N 3.01Å; S70-G73 PolarHBondContact O-N 2.92Å; S70-T74 WeakPolarHBondContact O-CB 3.3Å; S70-T74 PolarHBondContact O-N 3.19Å; S70-T74 PolarHBondContact O-OG1 3.07Å
71V95.1Very high94.7Very high6 Ų632.2 Ų32.24%0.03615%0.146CC..Hα-helixtrans-63.6-43.2177.2178.40000110.5E67 T74 A75 I108 I117E67-V71 HydrophobicContact CG-CG2 4.47Å; E67-V71 WeakPolarHBondContact O-CG2 3.32Å; E67-V71 PolarHBondContact O-N 2.8Å; V71-T74 PolarHBondContact O-N 3.36Å; V71-A75 WeakPolarHBondContact O-CB 3.35Å; V71-A75 PolarHBondContact O-N 3.41Å; V71-I108 HydrophobicContact CB-CG2 4.4Å; V71-I108 HydrophobicContact CG1-CD1 4.07Å; V71-I108 HydrophobicContact CG1-CG1 4.27Å; V71-I108 HydrophobicContact CG1-CG2 4.1Å; V71-I117 HydrophobicContact CG1-CD1 4.31Å; V71-I117 HydrophobicContact CG1-CG2 4.09Å
72Y96.4Very high95Very high35 Ų3530 Ų3014%0.13714%0.135CC..Hα-helixtrans-61.2-52.1176.1174.8-106.8000112.7F39 Y68 F69 S70 T74 A75 I76 V101 C104 A105 I108F39-Y72 AromaticContact CE1-CD1 3.99Å; F39-Y72 HydrophobicContact CE1-CD1 3.99Å; F39-Y72 HydrophobicContact CE1-CE1 4.45Å; F39-Y72 HydrophobicContact CZ-CD1 4.15Å; F39-Y72 HydrophobicContact CZ-CE1 4.41Å; Y68-Y72 WeakPolarHBondContact O-CB 3.36Å; Y68-Y72 PolarHBondContact O-N 2.84Å; F69-Y72 HydrophobicContact CD1-CD1 4.45Å; S70-Y72 PolarHBondContact O-N 3.01Å; Y72-T74 VanDerWaalsContact C-N 3.26Å; Y72-T74 PolarHBondContact O-N 3.08Å; Y72-A75 PolarHBondContact O-N 2.78Å; Y72-I76 HydrophobicContact CD2-CG2 4.09Å; Y72-I76 HydrophobicContact CE1-CD1 3.99Å; Y72-I76 HydrophobicContact CE1-CG2 4.49Å; Y72-I76 HydrophobicContact CE2-CG2 3.65Å; Y72-I76 WeakPolarHBondContact O-CG1 3.44Å; Y72-I76 PolarHBondContact O-N 3.49Å; Y72-V101 WeakPolarHBondContact OH-CG1 3.43Å; Y72-C104 HydrophobicContact CD2-CB 4.27Å; Y72-C104 HydrophobicContact CE2-CB 4.18Å; Y72-A105 HydrophobicContact CD2-CB 4.36Å; Y72-A105 HydrophobicContact CE2-CB 3.75Å; Y72-I108 VanDerWaalsContact CA-CD1 3.44Å; Y72-I108 HydrophobicContact CD2-CD1 4.23Å
73G96.7Very high95.2Very high0 Ų022.2 Ų22.20%010%0.101CC..Hα-helixtrans-53.4-45.217600000111.8T40 F69 S70 I76 S77T40-G73 VanDerWaalsContact OG1-CA 3.31Å; T40-G73 WeakPolarHBondContact OG1-CA 3.31Å; T40-G73 PolarHBondContact OG1-O 3.03Å; F69-G73 PolarHBondContact O-N 3.24Å; S70-G73 PolarHBondContact O-N 2.92Å; G73-I76 WeakPolarHBondContact O-CG1 3.28Å; G73-I76 PolarHBondContact O-N 3.2Å; G73-S77 VanDerWaalsContact O-CB 3.3Å; G73-S77 WeakPolarHBondContact O-CB 3.42Å; G73-S77 PolarHBondContact O-N 3.11Å; G73-S77 PolarHBondContact O-OG 2.93Å
74T95.8Very high95.4Very high4 Ų418.2 Ų18.23%0.0259%0.087CC..Hα-helixtrans-63.1-47.1178.3-52.90000112S70 V71 Y72 S77 I78 Y118 M187S70-T74 WeakPolarHBondContact O-CB 3.3Å; S70-T74 PolarHBondContact O-N 3.19Å; S70-T74 PolarHBondContact O-OG1 3.07Å; V71-T74 PolarHBondContact O-N 3.36Å; Y72-T74 VanDerWaalsContact C-N 3.26Å; Y72-T74 PolarHBondContact O-N 3.08Å; T74-S77 WeakPolarHBondContact O-CB 3.43Å; T74-S77 PolarHBondContact O-N 2.86Å; T74-I78 HydrophobicContact CG2-CD1 4.37Å; T74-I78 WeakPolarHBondContact O-CG1 3.35Å; T74-I78 PolarHBondContact O-N 2.76Å; T74-I78 VanDerWaalsContact O-N 3.09Å; T74-Y118 HydrophobicContact CG2-CE1 4.04Å; T74-M187 HydrophobicContact CG2-CE 4.23Å; T74-M187 HydrophobicContact CG2-SD 3.39Å; T74-M187 WeakPolarHBondContact CG2-SD 3.39Å
75A96.3Very high95.5Very high1 Ų114 Ų141%0.0087%0.067CC..Hα-helixtrans-64.1-43.1178.600000112.6V71 Y72 I78 W79 I108 I117V71-A75 WeakPolarHBondContact O-CB 3.35Å; V71-A75 PolarHBondContact O-N 3.41Å; Y72-A75 PolarHBondContact O-N 2.78Å; A75-I78 PolarHBondContact O-N 2.95Å; A75-W79 PolarHBondContact O-N 3.22Å; A75-W79 VanDerWaalsContact O-N 3.09Å; A75-I108 HydrophobicContact CB-CD1 3.8Å; A75-I117 HydrophobicContact CB-CG2 3.98Å
76I96.7Very high95.4Very high11 Ų1110.9 Ų10.96%0.0565%0.051CC..Hα-helixtrans-70.2-31.7175.765.7162.5000112V36 Y72 G73 W79 V80 V101 C104V36-I76 HydrophobicContact CG1-CB 4.46Å; V36-I76 HydrophobicContact CG1-CD1 3.8Å; V36-I76 HydrophobicContact CG1-CG1 3.69Å; V36-I76 HydrophobicContact CG2-CD1 4.1Å; Y72-I76 HydrophobicContact CD2-CG2 4.09Å; Y72-I76 HydrophobicContact CE1-CD1 3.99Å; Y72-I76 HydrophobicContact CE1-CG2 4.49Å; Y72-I76 HydrophobicContact CE2-CG2 3.65Å; Y72-I76 WeakPolarHBondContact O-CG1 3.44Å; Y72-I76 PolarHBondContact O-N 3.49Å; G73-I76 WeakPolarHBondContact O-CG1 3.28Å; G73-I76 PolarHBondContact O-N 3.2Å; I76-W79 PolarHBondContact O-N 3.35Å; I76-V80 WeakPolarHBondContact O-CG1 3.44Å; I76-V80 WeakPolarHBondContact O-CG2 3.37Å; I76-V80 PolarHBondContact O-N 2.82Å; I76-V101 HydrophobicContact CG2-CG2 4.44Å; I76-C104 HydrophobicContact CG2-CB 3.78Å
77S97.1Very high95.3Very high0 Ų012.1 Ų12.10%06%0.058CC..Hα-helixtrans-60-45.7173.1-67.90000111.7V36 T40 G73 T74 T81V36-S77 WeakPolarHBondContact CG1-OG 3.44Å; T40-S77 PolarHBondContact OG1-OG 2.87Å; G73-S77 VanDerWaalsContact O-CB 3.3Å; G73-S77 WeakPolarHBondContact O-CB 3.42Å; G73-S77 PolarHBondContact O-N 3.11Å; G73-S77 PolarHBondContact O-OG 2.93Å; T74-S77 WeakPolarHBondContact O-CB 3.43Å; T74-S77 PolarHBondContact O-N 2.86Å; S77-T81 WeakPolarHBondContact O-CB 3.25Å; S77-T81 PolarHBondContact O-N 3.44Å; S77-T81 PolarHBondContact O-OG1 2.99Å
78I96.4Very high95.2Very high15 Ų1512.6 Ų12.68%0.0776%0.06CC..Hα-helixtrans-60.8-47.4174.8-65.4161.7000110.3T74 A75 T81 L82 Y118 I122 M187 F191T74-I78 HydrophobicContact CG2-CD1 4.37Å; T74-I78 WeakPolarHBondContact O-CG1 3.35Å; T74-I78 PolarHBondContact O-N 2.76Å; T74-I78 VanDerWaalsContact O-N 3.09Å; A75-I78 PolarHBondContact O-N 2.95Å; I78-T81 PolarHBondContact O-N 3.11Å; I78-L82 HydrophobicContact CG2-CD1 4.04Å; I78-L82 WeakPolarHBondContact O-CG 3.16Å; I78-L82 PolarHBondContact O-N 2.84Å; I78-L82 VanDerWaalsContact O-N 3.14Å; I78-Y118 HydrophobicContact CD1-CD1 3.62Å; I78-Y118 HydrophobicContact CD1-CE1 4.07Å; I78-I122 HydrophobicContact CG2-CD1 3.97Å; I78-I122 HydrophobicContact CG2-CG1 3.46Å; I78-I122 VanDerWaalsContact CG2-CG1 3.46Å; I78-M187 HydrophobicContact CD1-CE 3.8Å; I78-M187 HydrophobicContact CD1-SD 4.22Å; I78-M187 HydrophobicContact CG1-CE 4.34Å; I78-M187 HydrophobicContact CG1-SD 4.36Å; I78-F191 HydrophobicContact CB-CE1 4.43Å; I78-F191 HydrophobicContact CG1-CE1 3.71Å; I78-F191 HydrophobicContact CG1-CZ 3.86Å
79W97.2Very high94.9Very high4 Ų414.5 Ų14.52%0.0157%0.073CC..Hα-helixtrans-59.1-53.1178.9-178.7-99.9000112.7A75 I76 T81 L82 I83 L96 F99 G100 P121 S124 A125 I128A75-W79 PolarHBondContact O-N 3.22Å; A75-W79 VanDerWaalsContact O-N 3.09Å; I76-W79 PolarHBondContact O-N 3.35Å; W79-T81 VanDerWaalsContact C-N 3.3Å; W79-T81 PolarHBondContact O-N 2.89Å; W79-L82 PolarHBondContact O-N 3.48Å; W79-L82 VanDerWaalsContact O-N 3.13Å; W79-I83 HydrophobicContact CD2-CG1 4.2Å; W79-I83 HydrophobicContact CG-CG1 4.38Å; W79-I83 HydrophobicContact CH2-CD1 4.48Å; W79-I83 HydrophobicContact CZ2-CD1 3.97Å; W79-I83 HydrophobicContact CZ2-CG1 4.16Å; W79-I83 WeakPolarHBondContact O-CG1 3.37Å; W79-I83 PolarHBondContact O-N 3.19Å; W79-L96 WeakPolarHBondContact CZ2-O 3.48Å; W79-L96 PolarHBondContact NE1-O 3.24Å; W79-F99 HydrophobicContact CZ2-CD1 4.42Å; W79-G100 VanDerWaalsContact CE2-CA 3.5Å; W79-P121 HydrophobicContact CE3-CB 3.77Å; W79-P121 HydrophobicContact CZ3-CB 4.36Å; W79-P121 VanDerWaalsContact CZ3-O 3.29Å; W79-P121 WeakPolarHBondContact CZ3-O 3.28Å; W79-S124 WeakPolarHBondContact CZ3-OG 3.09Å; W79-A125 HydrophobicContact CE3-CB 3.84Å; W79-A125 HydrophobicContact CH2-CB 4.45Å; W79-A125 HydrophobicContact CZ3-CB 3.72Å; W79-I128 HydrophobicContact CH2-CD1 4.49Å
80V96.6Very high94.6Very high3 Ų316.7 Ų16.72%0.0188%0.084CC..Hα-helixtrans-67.4-31.7-177.1-56.60000112.2E33 V36 Y37 I76 L82 A84 T97E33-V80 HydrophobicContact CB-CG2 4.26Å; E33-V80 HydrophobicContact CG-CB 4.18Å; E33-V80 HydrophobicContact CG-CG2 4Å; V36-V80 HydrophobicContact CB-CG2 4.21Å; V36-V80 HydrophobicContact CG1-CG2 3.96Å; Y37-V80 HydrophobicContact CE1-CG2 4.33Å; I76-V80 WeakPolarHBondContact O-CG1 3.44Å; I76-V80 WeakPolarHBondContact O-CG2 3.37Å; I76-V80 PolarHBondContact O-N 2.82Å; V80-L82 VanDerWaalsContact C-N 3.34Å; V80-L82 PolarHBondContact O-N 3.32Å; V80-A84 WeakPolarHBondContact O-CB 3.46Å; V80-A84 PolarHBondContact O-N 3.24Å; V80-T97 HydrophobicContact CG1-CG2 4.06Å
81T96.1Very high94.4Very high1 Ų120.7 Ų20.71%0.00611%0.11CC..Hα-helixtrans-58-47.2171-57.30000111.1Y37 S77 I78 W79 A84 L85 F191 L194Y37-T81 PolarHBondContact OH-OG1 2.87Å; S77-T81 WeakPolarHBondContact O-CB 3.25Å; S77-T81 PolarHBondContact O-N 3.44Å; S77-T81 PolarHBondContact O-OG1 2.99Å; I78-T81 PolarHBondContact O-N 3.11Å; W79-T81 VanDerWaalsContact C-N 3.3Å; W79-T81 PolarHBondContact O-N 2.89Å; T81-A84 PolarHBondContact O-N 2.68Å; T81-L85 PolarHBondContact O-N 3.5Å; T81-F191 HydrophobicContact CG2-CD1 4.19Å; T81-F191 WeakPolarHBondContact OG1-CD1 3.3Å; T81-L194 HydrophobicContact CG2-CB 3.56Å; T81-L194 HydrophobicContact CG2-CD1 4.1Å; T81-L194 HydrophobicContact CG2-CG 4.47Å
82L96Very high94.3Very high13 Ų1327.1 Ų27.17%0.06814%0.138CC..Hα-helixtrans-71.4-43.3-178.3-67.3172.1000111.6I78 W79 V80 A84 L85 G86 I122 A125 I129 L194I78-L82 HydrophobicContact CG2-CD1 4.04Å; I78-L82 WeakPolarHBondContact O-CG 3.16Å; I78-L82 PolarHBondContact O-N 2.84Å; I78-L82 VanDerWaalsContact O-N 3.14Å; W79-L82 PolarHBondContact O-N 3.48Å; W79-L82 VanDerWaalsContact O-N 3.13Å; V80-L82 VanDerWaalsContact C-N 3.34Å; V80-L82 PolarHBondContact O-N 3.32Å; L82-A84 VanDerWaalsContact C-N 3.3Å; L82-A84 PolarHBondContact O-N 2.71Å; L82-L85 WeakPolarHBondContact O-CB 3.37Å; L82-L85 PolarHBondContact O-N 3.38Å; L82-G86 PolarHBondContact O-N 2.94Å; L82-I122 HydrophobicContact CD1-CB 4.47Å; L82-I122 HydrophobicContact CD1-CG1 4.24Å; L82-I122 HydrophobicContact CD1-CG2 4.5Å; L82-A125 HydrophobicContact CB-CB 3.72Å; L82-A125 HydrophobicContact CD1-CB 3.87Å; L82-A125 HydrophobicContact CG-CB 4.43Å; L82-I129 HydrophobicContact CB-CD1 3.99Å; L82-I129 WeakPolarHBondContact O-CD1 3.34Å; L82-L194 HydrophobicContact CD2-CD1 4.33Å
83I95.6Very high94.1Very high1 Ų126.3 Ų26.31%0.00513%0.134CC..Hα-helixtrans-61.8-37.9174.2-63.3-49.1000111.5W79 G86 F88 R93 L96 A125W79-I83 HydrophobicContact CD2-CG1 4.2Å; W79-I83 HydrophobicContact CG-CG1 4.38Å; W79-I83 HydrophobicContact CH2-CD1 4.48Å; W79-I83 HydrophobicContact CZ2-CD1 3.97Å; W79-I83 HydrophobicContact CZ2-CG1 4.16Å; W79-I83 WeakPolarHBondContact O-CG1 3.37Å; W79-I83 PolarHBondContact O-N 3.19Å; I83-G86 PolarHBondContact O-N 3.48Å; I83-F88 HydrophobicContact CD1-CE2 4.26Å; I83-F88 HydrophobicContact CG2-CD2 4.08Å; I83-F88 HydrophobicContact CG2-CE2 4.5Å; I83-F88 WeakPolarHBondContact O-CD2 3.15Å; I83-R93 HydrophobicContact CG2-CG 4.19Å; I83-L96 HydrophobicContact CD1-CB 4.04Å; I83-L96 HydrophobicContact CD1-CD1 4.37Å; I83-L96 HydrophobicContact CG1-CB 4.35Å; I83-L96 HydrophobicContact CG2-CB 4.21Å; I83-A125 HydrophobicContact CD1-CB 4.44Å
84A94Very high94Very high5 Ų528.7 Ų28.74%0.04115%0.151CC..Hα-helixtrans-65.5-40.517400000112.7F30 E33 V80 T81 L82 G86 D87 L195 P196F30-A84 HydrophobicContact CD1-CB 4.15Å; F30-A84 HydrophobicContact CE1-CB 3.9Å; E33-A84 HydrophobicContact CG-CB 4.25Å; V80-A84 WeakPolarHBondContact O-CB 3.46Å; V80-A84 PolarHBondContact O-N 3.24Å; T81-A84 PolarHBondContact O-N 2.68Å; L82-A84 VanDerWaalsContact C-N 3.3Å; L82-A84 PolarHBondContact O-N 2.71Å; A84-G86 PolarHBondContact O-N 2.9Å; A84-D87 PolarHBondContact O-N 3.43Å; A84-L195 HydrophobicContact CB-CD1 3.75Å; A84-P196 WeakPolarHBondContact O-CG 3.37Å
85L93.9Very high93.9Very high13 Ų1332.9 Ų32.97%0.06818%0.177CC..Hα-helixtrans-62.1-30.9172.3174.261.1000112.6T81 L82 D87 W133 V154 L194T81-L85 PolarHBondContact O-N 3.5Å; L82-L85 WeakPolarHBondContact O-CB 3.37Å; L82-L85 PolarHBondContact O-N 3.38Å; L85-D87 PolarHBondContact O-N 3.17Å; L85-W133 HydrophobicContact CD1-CH2 4.12Å; L85-W133 HydrophobicContact CD1-CZ2 4.06Å; L85-W133 HydrophobicContact CD2-CH2 4.37Å; L85-W133 HydrophobicContact CG-CH2 4.14Å; L85-W133 HydrophobicContact CG-CZ2 4.04Å; L85-V154 HydrophobicContact CD1-CG2 4Å; L85-V154 HydrophobicContact CD2-CG1 4.37Å; L85-V154 HydrophobicContact CD2-CG2 4.49Å; L85-L194 HydrophobicContact CD2-CD2 4.08Å
86G91.4Very high93.8Very high0 Ų034.4 Ų34.40%019%0.185CC..THydrogen-bonded Turntrans-68-8.5176.100000115.6L82 I83 A84 F88 K132L82-G86 PolarHBondContact O-N 2.94Å; I83-G86 PolarHBondContact O-N 3.48Å; A84-G86 PolarHBondContact O-N 2.9Å; G86-F88 PolarHBondContact O-N 3.26Å; G86-F88 VanDerWaalsContact O-N 3.16Å; G86-K132 WeakPolarHBondContact O-CD 3.4Å; G86-K132 PolarHBondContact O-NZ 3.09Å
87D90.4Very high93.7Very high27 Ų2734.4 Ų34.414%0.14419%0.185CC..THydrogen-bonded Turntrans57.532170.1-168.435.8000113.1A84 L85 K132 Y144 R200A84-D87 PolarHBondContact O-N 3.43Å; L85-D87 PolarHBondContact O-N 3.17Å; D87-K132 PolarHBondContact O-NZ 2.94Å; D87-Y144 PolarHBondContact OD2-OH 2.82Å; D87-R200 IonicContact OD1-CZ 3.85Å; D87-R200 VanDerWaalsContact OD1-CZ 3.31Å; D87-R200 IonicContact OD1-NH1 2.75Å; D87-R200 PolarHBondContact OD1-NH1 3.09Å; D87-R200 IonicContact OD1-NH2 2.66Å; D87-R200 PolarHBondContact OD1-NH2 3.29Å; D87-R200 IonicContact OD2-CZ 3.87Å; D87-R200 IonicContact OD2-NH1 2.69Å; D87-R200 PolarHBondContact OD2-NH1 2.84Å; D87-R200 IonicContact OD2-NH2 3.41Å; D87-R200 PolarHBondContact OD2-NH2 3.31Å
88F91.1Very high93.7Very high15 Ų1539.5 Ų39.57%0.06621%0.21CC..PPolyproline II helixtrans-72.2138.9-172.3-62-81.3000113.1I83 G86 R93 L96 I128 I129 K132 Y201I83-F88 HydrophobicContact CD1-CE2 4.26Å; I83-F88 HydrophobicContact CG2-CD2 4.08Å; I83-F88 HydrophobicContact CG2-CE2 4.5Å; I83-F88 WeakPolarHBondContact O-CD2 3.15Å; G86-F88 PolarHBondContact O-N 3.26Å; G86-F88 VanDerWaalsContact O-N 3.16Å; F88-R93 HydrophobicContact CB-CB 3.95Å; F88-L96 HydrophobicContact CD1-CD1 4.04Å; F88-L96 HydrophobicContact CD2-CD1 4.02Å; F88-L96 HydrophobicContact CE1-CD1 4Å; F88-L96 HydrophobicContact CE2-CD1 3.97Å; F88-L96 HydrophobicContact CG-CD1 4.07Å; F88-L96 HydrophobicContact CZ-CD1 4Å; F88-I128 HydrophobicContact CE1-CG2 4.08Å; F88-I128 HydrophobicContact CZ-CG2 3.76Å; F88-I129 HydrophobicContact CE2-CG1 4.37Å; F88-I129 HydrophobicContact CZ-CG1 4.38Å; F88-K132 HydrophobicContact CD1-CD 3.67Å; F88-K132 HydrophobicContact CE1-CB 4.17Å; F88-K132 HydrophobicContact CE1-CD 3.49Å; F88-K132 VanDerWaalsContact CE1-CD 3.49Å; F88-K132 HydrophobicContact CE1-CG 4.4Å; F88-K132 HydrophobicContact CZ-CD 4.27Å; F88-Y201 PolarHBondContact O-OH 3.44Å
89D90Very high93.6Very high88 Ų8844.7 Ų44.747%0.47123%0.232SC..PPolyproline II helixtrans-74149173-48.4-80000112K92 R93 Y201D89-K92 WeakPolarHBondContact O-CA 3.23Å; D89-K92 WeakPolarHBondContact O-CB 3.33Å; D89-K92 PolarHBondContact O-N 2.92Å; D89-R93 PolarHBondContact O-N 2.67Å; D89-Y201 WeakPolarHBondContact CA-OH 3.41Å; D89-Y201 PolarHBondContact OD1-OH 3.47Å
90E88.2Confident93.5Very high100 Ų10044.5 Ų44.547%0.46723%0.232SC..THydrogen-bonded Turntrans-72.4139.7174.3-133.449.4-9400110.5S94E90-S94 WeakPolarHBondContact OE1-CB 3.32Å; E90-S94 PolarHBondContact OE1-N 3.04Å
91P92.2Very high93.4Very high93 Ų9346 Ų4660%0.60424%0.241SC*.THydrogen-bonded Turncis-87.30.27.635.9-37.7000115.6R93 S94 T95P91-R93 VanDerWaalsContact C-N 3.29Å; P91-R93 PolarHBondContact O-N 2.96Å; P91-S94 PolarHBondContact O-N 3.12Å; P91-T95 PolarHBondContact O-N 3.26Å; P91-T95 PolarHBondContact O-OG1 3.22Å; P91-T95 VanDerWaalsContact O-OG1 3.11Å
92K92.6Very high93.3Very high141 Ų14151.7 Ų51.761%0.61327%0.271SS*.Hα-helixtrans-62.9-36-171.2-59.5176.8-179.3173.60111.9D89 L96D89-K92 WeakPolarHBondContact O-CA 3.23Å; D89-K92 WeakPolarHBondContact O-CB 3.33Å; D89-K92 PolarHBondContact O-N 2.92Å; K92-L96 WeakPolarHBondContact O-CB 3.39Å; K92-L96 VanDerWaalsContact O-CG 3.3Å; K92-L96 WeakPolarHBondContact O-CG 3.24Å; K92-L96 PolarHBondContact O-N 3.32Å
93R92.4Very high93.2Very high17 Ų1753.4 Ų53.46%0.06428%0.282CS..Hα-helixtrans-61.4-49.2176-178.1-176.3175.7179.9-2.6112.2E33 I83 F88 D89 P91 L96 T97 N199E33-R93 IonicContact OE1-CZ 2.65Å; E33-R93 IonicContact OE1-NE 2.7Å; E33-R93 IonicContact OE1-NH2 3.61Å; E33-R93 PolarHBondContact OE1-NH2 2.85Å; E33-R93 IonicContact OE2-NH2 3.7Å; I83-R93 HydrophobicContact CG2-CG 4.19Å; F88-R93 HydrophobicContact CB-CB 3.95Å; D89-R93 PolarHBondContact O-N 2.67Å; P91-R93 VanDerWaalsContact C-N 3.29Å; P91-R93 PolarHBondContact O-N 2.96Å; R93-L96 PolarHBondContact O-N 3Å; R93-T97 WeakPolarHBondContact O-CB 3.37Å; R93-T97 PolarHBondContact O-N 3.06Å; R93-T97 PolarHBondContact O-OG1 2.84Å; R93-N199 PolarHBondContact NH1-OD1 3.33Å
94S93.1Very high93.1Very high51 Ų5153.5 Ų53.536%0.35728%0.282SS..Hα-helixtrans-63-44.9177.3-178.40000111.4E90 P91 L96 T97 M98E90-S94 WeakPolarHBondContact OE1-CB 3.32Å; E90-S94 PolarHBondContact OE1-N 3.04Å; P91-S94 PolarHBondContact O-N 3.12Å; S94-L96 PolarHBondContact O-N 3.39Å; S94-T97 PolarHBondContact O-N 2.87Å; S94-M98 WeakPolarHBondContact O-CB 3.46Å; S94-M98 WeakPolarHBondContact O-CG 3.46Å; S94-M98 PolarHBondContact O-N 3.02Å
95T94.7Very high93.1Very high92 Ų9254.4 Ų54.456%0.56429%0.29SS*.Hα-helixtrans-59.7-45.4176-52.90000112.3P91 F99P91-T95 PolarHBondContact O-N 3.26Å; P91-T95 PolarHBondContact O-OG1 3.22Å; P91-T95 VanDerWaalsContact O-OG1 3.11Å; T95-F99 VanDerWaalsContact O-CB 3.26Å; T95-F99 WeakPolarHBondContact O-CB 3.15Å; T95-F99 PolarHBondContact O-N 3.48Å
96L94.9Very high93Very high33 Ų3357.6 Ų57.617%0.17331%0.31CS..Hα-helixtrans-66.7-41.1177.2-72.9171.6000112.2W79 I83 F88 K92 R93 S94 G100 I128W79-L96 WeakPolarHBondContact CZ2-O 3.48Å; W79-L96 PolarHBondContact NE1-O 3.24Å; I83-L96 HydrophobicContact CD1-CB 4.04Å; I83-L96 HydrophobicContact CD1-CD1 4.37Å; I83-L96 HydrophobicContact CG1-CB 4.35Å; I83-L96 HydrophobicContact CG2-CB 4.21Å; F88-L96 HydrophobicContact CD1-CD1 4.04Å; F88-L96 HydrophobicContact CD2-CD1 4.02Å; F88-L96 HydrophobicContact CE1-CD1 4Å; F88-L96 HydrophobicContact CE2-CD1 3.97Å; F88-L96 HydrophobicContact CG-CD1 4.07Å; F88-L96 HydrophobicContact CZ-CD1 4Å; K92-L96 WeakPolarHBondContact O-CB 3.39Å; K92-L96 VanDerWaalsContact O-CG 3.3Å; K92-L96 WeakPolarHBondContact O-CG 3.24Å; K92-L96 PolarHBondContact O-N 3.32Å; R93-L96 PolarHBondContact O-N 3Å; S94-L96 PolarHBondContact O-N 3.39Å; L96-G100 PolarHBondContact O-N 2.7Å; L96-G100 VanDerWaalsContact O-N 3.11Å; L96-I128 HydrophobicContact CD1-CG2 4.24Å; L96-I128 HydrophobicContact CD2-CD1 4.11Å
97T94.8Very high93.1Very high10 Ų1064.2 Ų64.26%0.06134%0.335CS..Hα-helixtrans-56.7-55173.4-60.60000110.8M32 V80 R93 S94 F99 G100 V101M32-T97 HydrophobicContact CE-CG2 3.97Å; V80-T97 HydrophobicContact CG1-CG2 4.06Å; R93-T97 WeakPolarHBondContact O-CB 3.37Å; R93-T97 PolarHBondContact O-N 3.06Å; R93-T97 PolarHBondContact O-OG1 2.84Å; S94-T97 PolarHBondContact O-N 2.87Å; T97-F99 PolarHBondContact O-N 3.05Å; T97-G100 PolarHBondContact O-N 2.86Å; T97-V101 HydrophobicContact CG2-CG2 4.44Å; T97-V101 VanDerWaalsContact O-CG2 3.32Å; T97-V101 WeakPolarHBondContact O-CG2 3.43Å; T97-V101 PolarHBondContact O-N 3.39Å
98M95.4Very high93.2Very high108 Ų10863 Ų6353%0.53233%0.328SS..Hα-helixtrans-63.7-39.5-178.4-73.4-64.7-174.300112.7S94 G100 V101 L102S94-M98 WeakPolarHBondContact O-CB 3.46Å; S94-M98 WeakPolarHBondContact O-CG 3.46Å; S94-M98 PolarHBondContact O-N 3.02Å; M98-G100 PolarHBondContact O-N 3.45Å; M98-V101 PolarHBondContact O-N 3.47Å; M98-L102 WeakPolarHBondContact O-CG 3.45Å; M98-L102 PolarHBondContact O-N 2.96Å
99F94.4Very high93.2Very high123 Ų12371.7 Ų71.754%0.53936%0.362SS..Hα-helixtrans-59.4-45175.5177.1-99.1000112W79 T95 T97 T103W79-F99 HydrophobicContact CZ2-CD1 4.42Å; T95-F99 VanDerWaalsContact O-CB 3.26Å; T95-F99 WeakPolarHBondContact O-CB 3.15Å; T95-F99 PolarHBondContact O-N 3.48Å; T97-F99 PolarHBondContact O-N 3.05Å; F99-T103 VanDerWaalsContact O-CB 3.27Å; F99-T103 WeakPolarHBondContact O-CB 3.46Å; F99-T103 PolarHBondContact O-N 2.92Å; F99-T103 PolarHBondContact O-OG1 3.22Å
100G94.7Very high93.2Very high1 Ų173.1 Ų73.11%0.0137%0.366CS..Hα-helixtrans-68.7-41176.100000113.5W79 L96 T97 M98 L102 T103 C104W79-G100 VanDerWaalsContact CE2-CA 3.5Å; L96-G100 PolarHBondContact O-N 2.7Å; L96-G100 VanDerWaalsContact O-N 3.11Å; T97-G100 PolarHBondContact O-N 2.86Å; M98-G100 PolarHBondContact O-N 3.45Å; G100-L102 VanDerWaalsContact C-N 3.35Å; G100-L102 PolarHBondContact O-N 3.44Å; G100-T103 PolarHBondContact O-N 3.01Å; G100-C104 WeakPolarHBondContact O-CB 3.34Å; G100-C104 PolarHBondContact O-N 3.17Å; G100-C104 PolarHBondContact O-SG 3.28Å
101V95.3Very high93.3Very high33 Ų3372.2 Ų72.220%0.236%0.364CS..Hα-helixtrans-54.4-50.1174.5163.80000111Y72 I76 T97 M98 A105Y72-V101 WeakPolarHBondContact OH-CG1 3.43Å; I76-V101 HydrophobicContact CG2-CG2 4.44Å; T97-V101 HydrophobicContact CG2-CG2 4.44Å; T97-V101 VanDerWaalsContact O-CG2 3.32Å; T97-V101 WeakPolarHBondContact O-CG2 3.43Å; T97-V101 PolarHBondContact O-N 3.39Å; M98-V101 PolarHBondContact O-N 3.47Å; V101-A105 PolarHBondContact O-N 3.25Å
102L94.4Very high93Very high121 Ų12170.7 Ų70.763%0.63435%0.346SS*.Hα-helixtrans-66.5-41.3177-66.2171.5000112.4M98 G100 A105 V106M98-L102 WeakPolarHBondContact O-CG 3.45Å; M98-L102 PolarHBondContact O-N 2.96Å; G100-L102 VanDerWaalsContact C-N 3.35Å; G100-L102 PolarHBondContact O-N 3.44Å; L102-A105 PolarHBondContact O-N 2.97Å; L102-V106 WeakPolarHBondContact O-CG2 3.33Å; L102-V106 PolarHBondContact O-N 3.13Å
103T93.1Very high92.6Very high49 Ų4971.9 Ų71.930%0.30135%0.347SS..Hα-helixtrans-66.5-43-179.6-59.20000112F99 G100 A105 V106 R107F99-T103 VanDerWaalsContact O-CB 3.27Å; F99-T103 WeakPolarHBondContact O-CB 3.46Å; F99-T103 PolarHBondContact O-N 2.92Å; F99-T103 PolarHBondContact O-OG1 3.22Å; G100-T103 PolarHBondContact O-N 3.01Å; T103-A105 PolarHBondContact O-N 2.96Å; T103-V106 PolarHBondContact O-N 2.87Å; T103-R107 HydrophobicContact CG2-CG 4.32Å; T103-R107 WeakPolarHBondContact O-CB 3.32Å; T103-R107 WeakPolarHBondContact O-CG 3.26Å; T103-R107 PolarHBondContact O-N 3.41Å
104C94.2Very high92.3Very high3 Ų371.7 Ų71.72%0.0235%0.35CS..Hα-helixtrans-61.9-41.6176.6-71.70000111.7Y72 I76 G100 R107 I108Y72-C104 HydrophobicContact CD2-CB 4.27Å; Y72-C104 HydrophobicContact CE2-CB 4.18Å; I76-C104 HydrophobicContact CG2-CB 3.78Å; G100-C104 WeakPolarHBondContact O-CB 3.34Å; G100-C104 PolarHBondContact O-N 3.17Å; G100-C104 PolarHBondContact O-SG 3.28Å; C104-R107 PolarHBondContact O-N 3.03Å; C104-I108 WeakPolarHBondContact O-CB 3.48Å; C104-I108 VanDerWaalsContact O-CG1 3.32Å; C104-I108 WeakPolarHBondContact O-CG1 3.48Å; C104-I108 PolarHBondContact O-N 3.08Å
105A93.5Very high91.9Very high25 Ų2575.6 Ų75.621%0.20736%0.358CS..Hα-helixtrans-60-48.3176.600000111.7Y68 Y72 V101 L102 T103 R107 Y109Y68-A105 PolarHBondContact OH-O 3.02Å; Y72-A105 HydrophobicContact CD2-CB 4.36Å; Y72-A105 HydrophobicContact CE2-CB 3.75Å; V101-A105 PolarHBondContact O-N 3.25Å; L102-A105 PolarHBondContact O-N 2.97Å; T103-A105 PolarHBondContact O-N 2.96Å; A105-R107 PolarHBondContact O-N 3.29Å; A105-Y109 WeakPolarHBondContact O-CB 3.31Å; A105-Y109 PolarHBondContact O-N 3.24Å; A105-Y109 VanDerWaalsContact O-N 3.15Å
106V92.1Very high91.5Very high79 Ų7973.3 Ų73.348%0.47935%0.354SS..Hα-helixtrans-64.6-41.1178.2174.80000111.8L102 T103 Q110L102-V106 WeakPolarHBondContact O-CG2 3.33Å; L102-V106 PolarHBondContact O-N 3.13Å; T103-V106 PolarHBondContact O-N 2.87Å; V106-Q110 WeakPolarHBondContact O-CG 3.3Å; V106-Q110 PolarHBondContact O-N 2.9Å; V106-Q110 VanDerWaalsContact O-N 3.14Å
107R93.1Very high91.4Very high139 Ų13972 Ų7253%0.52535%0.347SS..Hα-helixtrans-67.9-43.9-179-71.7-53.4-170.3-1755113T103 C104 A105 Y109 Q110 D111T103-R107 HydrophobicContact CG2-CG 4.32Å; T103-R107 WeakPolarHBondContact O-CB 3.32Å; T103-R107 WeakPolarHBondContact O-CG 3.26Å; T103-R107 PolarHBondContact O-N 3.41Å; C104-R107 PolarHBondContact O-N 3.03Å; A105-R107 PolarHBondContact O-N 3.29Å; R107-Y109 VanDerWaalsContact C-N 3.27Å; R107-Y109 PolarHBondContact O-N 3.3Å; R107-Q110 WeakPolarHBondContact O-CB 3.42Å; R107-Q110 PolarHBondContact O-N 2.91Å; R107-Q110 VanDerWaalsContact O-N 3.1Å; R107-D111 PolarHBondContact O-N 2.99Å
108I93.2Very high91.2Very high2 Ų271.9 Ų71.91%0.0135%0.345CS..Hα-helixtrans-71.5-25.6-179.3-64.5166.2000111.5Y68 V71 Y72 A75 C104 D111 R112 I117Y68-I108 HydrophobicContact CD2-CG2 3.69Å; Y68-I108 HydrophobicContact CE2-CB 4.16Å; Y68-I108 HydrophobicContact CE2-CG2 3.77Å; V71-I108 HydrophobicContact CB-CG2 4.4Å; V71-I108 HydrophobicContact CG1-CD1 4.07Å; V71-I108 HydrophobicContact CG1-CG1 4.27Å; V71-I108 HydrophobicContact CG1-CG2 4.1Å; Y72-I108 VanDerWaalsContact CA-CD1 3.44Å; Y72-I108 HydrophobicContact CD2-CD1 4.23Å; A75-I108 HydrophobicContact CB-CD1 3.8Å; C104-I108 WeakPolarHBondContact O-CB 3.48Å; C104-I108 VanDerWaalsContact O-CG1 3.32Å; C104-I108 WeakPolarHBondContact O-CG1 3.48Å; C104-I108 PolarHBondContact O-N 3.08Å; I108-D111 WeakPolarHBondContact CA-O 3.46Å; I108-D111 CarbonylContact O-C 3.58Å; I108-R112 HydrophobicContact CG2-CB 3.92Å; I108-I117 HydrophobicContact CD1-CG2 3.71Å; I108-I117 HydrophobicContact CG1-CB 4.32Å; I108-I117 HydrophobicContact CG1-CD1 4.41Å; I108-I117 HydrophobicContact CG1-CG1 3.98Å; I108-I117 HydrophobicContact CG1-CG2 3.5Å
109Y90.4Very high91Very high198 Ų19870.1 Ų70.178%0.77634%0.343SS*.Hα-helixtrans-70.9-34.7169.1-174.7-93000113A105 R107A105-Y109 WeakPolarHBondContact O-CB 3.31Å; A105-Y109 PolarHBondContact O-N 3.24Å; A105-Y109 VanDerWaalsContact O-N 3.15Å; R107-Y109 VanDerWaalsContact C-N 3.27Å; R107-Y109 PolarHBondContact O-N 3.3Å
110Q90.6Very high90.8Very high118 Ų11866 Ų6655%0.55134%0.336SS*.Hα-helixtrans-72.9-44.5176.9-73.3170.6-9.500112.2V106 R107V106-Q110 WeakPolarHBondContact O-CG 3.3Å; V106-Q110 PolarHBondContact O-N 2.9Å; V106-Q110 VanDerWaalsContact O-N 3.14Å; R107-Q110 WeakPolarHBondContact O-CB 3.42Å; R107-Q110 PolarHBondContact O-N 2.91Å; R107-Q110 VanDerWaalsContact O-N 3.1Å
111D89.4Confident90.6Very high80 Ų8066.6 Ų66.643%0.42834%0.339SS..  trans-154.3120.3177.6178.11.4000108.2R107 I108 W113 G114 I117R107-D111 PolarHBondContact O-N 2.99Å; I108-D111 WeakPolarHBondContact CA-O 3.46Å; I108-D111 CarbonylContact O-C 3.58Å; D111-W113 PolarHBondContact OD1-N 2.85Å; D111-G114 VanDerWaalsContact CG-N 3.27Å; D111-G114 PolarHBondContact OD1-N 2.77Å; D111-G114 WeakPolarHBondContact OD2-CA 3.39Å; D111-G114 PolarHBondContact OD2-N 3.47Å; D111-I117 WeakPolarHBondContact O-CD1 3.31Å; D111-I117 VanDerWaalsContact O-CG1 3.27Å; D111-I117 WeakPolarHBondContact O-CG1 3.49Å
112R87.3Confident90.5Very high61 Ų6167 Ų6723%0.2334%0.34CS..SBendtrans-97.2-5.3178.679.9174.875.9141.610114.4E64 E67 I108 I117E64-R112 IonicContact OE2-CZ 3.21Å; E64-R112 IonicContact OE2-NH1 3.31Å; E64-R112 PolarHBondContact OE2-NH1 3Å; E64-R112 IonicContact OE2-NH2 2.72Å; E64-R112 PolarHBondContact OE2-NH2 3.31Å; E67-R112 WeakPolarHBondContact OE1-CD 3.41Å; E67-R112 VanDerWaalsContact OE2-CD 3.28Å; E67-R112 WeakPolarHBondContact OE2-CD 3.43Å; E67-R112 IonicContact OE2-CZ 3.9Å; E67-R112 IonicContact OE2-NE 3.38Å; E67-R112 IonicContact OE2-NH1 2.8Å; E67-R112 PolarHBondContact OE2-NH1 3.04Å; I108-R112 HydrophobicContact CG2-CB 3.92Å; R112-I117 VanDerWaalsContact CA-CD1 3.46Å; R112-I117 WeakPolarHBondContact O-CD1 3.47Å
113W84.3Confident90.5Very high166 Ų16663.1 Ų63.163%0.62933%0.33SS*.SBendtrans-108-27.2-178.9-63.689.5000112.1E67 D111E67-W113 VanDerWaalsContact OE1-CZ2 3.31Å; E67-W113 WeakPolarHBondContact OE1-CZ2 3.27Å; D111-W113 PolarHBondContact OD1-N 2.85Å
114G85.6Confident90.5Very high13 Ų1363.2 Ų63.213%0.13433%0.332CS..SBendtrans-64.6135.9-176.500000115.3D111 G116 I117D111-G114 VanDerWaalsContact CG-N 3.27Å; D111-G114 PolarHBondContact OD1-N 2.77Å; D111-G114 WeakPolarHBondContact OD2-CA 3.39Å; D111-G114 PolarHBondContact OD2-N 3.47Å; G114-G116 PolarHBondContact O-N 3.44Å; G114-I117 WeakPolarHBondContact O-CB 3.39Å; G114-I117 VanDerWaalsContact O-CD1 3.23Å; G114-I117 WeakPolarHBondContact O-CD1 3.23Å; G114-I117 VanDerWaalsContact O-CG1 3.23Å; G114-I117 WeakPolarHBondContact O-CG1 3.42Å; G114-I117 PolarHBondContact O-N 2.91Å
115Y85.1Confident90.6Very high133 Ų13363.1 Ų63.152%0.52233%0.331SS..THydrogen-bonded Turntrans-42.8-33.7171.6-59.1-98.6000114.4I117 Y118 S119 F169Y115-I117 PolarHBondContact O-N 2.8Å; Y115-Y118 PolarHBondContact O-N 2.77Å; Y115-Y118 VanDerWaalsContact O-N 3.08Å; Y115-S119 PolarHBondContact O-N 2.91Å; Y115-S119 PolarHBondContact O-OG 3.08Å; Y115-S119 VanDerWaalsContact O-OG 3.11Å; Y115-F169 HydrophobicContact CD1-CB 4.34Å; Y115-F169 AromaticContact CD1-CD1 3.46Å; Y115-F169 HydrophobicContact CD1-CD1 3.46Å; Y115-F169 VanDerWaalsContact CD1-CD1 3.46Å; Y115-F169 HydrophobicContact CD1-CD2 4.11Å; Y115-F169 AromaticContact CD1-CE1 3.65Å; Y115-F169 HydrophobicContact CD1-CE1 3.65Å; Y115-F169 HydrophobicContact CD1-CE2 4.27Å; Y115-F169 AromaticContact CD1-CG 3.73Å; Y115-F169 HydrophobicContact CD1-CG 3.73Å; Y115-F169 HydrophobicContact CD1-CZ 4.05Å; Y115-F169 HydrophobicContact CE1-CB 3.8Å; Y115-F169 AromaticContact CE1-CD1 3.39Å; Y115-F169 HydrophobicContact CE1-CD1 3.39Å; Y115-F169 HydrophobicContact CE1-CD2 4.42Å; Y115-F169 HydrophobicContact CE1-CE1 4.03Å; Y115-F169 AromaticContact CE1-CG 3.63Å; Y115-F169 HydrophobicContact CE1-CG 3.63Å; Y115-F169 HydrophobicContact CG-CD1 4.25Å; Y115-F169 HydrophobicContact CG-CE1 4.04Å; Y115-F169 HydrophobicContact CG-CZ 4.44Å
116G86.7Confident90.6Very high45 Ų4565 Ų6546%0.46434%0.341SS..Hα-helixtrans-57.9-25.4-179.300000115.3G114 Y118 S119 G120G114-G116 PolarHBondContact O-N 3.44Å; G116-Y118 PolarHBondContact O-N 2.89Å; G116-S119 WeakPolarHBondContact CA-OG 3.44Å; G116-G120 PolarHBondContact O-N 3.04Å
117I91.3Very high90.8Very high6 Ų668 Ų683%0.03135%0.347CS..Hα-helixtrans-58.4-37.8174.3-62.5159.1000111.6V71 A75 I108 D111 R112 G114 Y115 P121V71-I117 HydrophobicContact CG1-CD1 4.31Å; V71-I117 HydrophobicContact CG1-CG2 4.09Å; A75-I117 HydrophobicContact CB-CG2 3.98Å; I108-I117 HydrophobicContact CD1-CG2 3.71Å; I108-I117 HydrophobicContact CG1-CB 4.32Å; I108-I117 HydrophobicContact CG1-CD1 4.41Å; I108-I117 HydrophobicContact CG1-CG1 3.98Å; I108-I117 HydrophobicContact CG1-CG2 3.5Å; D111-I117 WeakPolarHBondContact O-CD1 3.31Å; D111-I117 VanDerWaalsContact O-CG1 3.27Å; D111-I117 WeakPolarHBondContact O-CG1 3.49Å; R112-I117 VanDerWaalsContact CA-CD1 3.46Å; R112-I117 WeakPolarHBondContact O-CD1 3.47Å; G114-I117 WeakPolarHBondContact O-CB 3.39Å; G114-I117 VanDerWaalsContact O-CD1 3.23Å; G114-I117 WeakPolarHBondContact O-CD1 3.23Å; G114-I117 VanDerWaalsContact O-CG1 3.23Å; G114-I117 WeakPolarHBondContact O-CG1 3.42Å; G114-I117 PolarHBondContact O-N 2.91Å; Y115-I117 PolarHBondContact O-N 2.8Å; I117-P121 WeakPolarHBondContact O-CD 2.88Å; I117-P121 WeakPolarHBondContact O-CG 3.49Å
118Y91.6Very high90.9Very high7 Ų763.8 Ų63.83%0.02733%0.334CS..Hα-helixtrans-102.1-47.7-175-61.6-96.9000110T74 I78 Y115 G116 G120 I122 L165 F169T74-Y118 HydrophobicContact CG2-CE1 4.04Å; I78-Y118 HydrophobicContact CD1-CD1 3.62Å; I78-Y118 HydrophobicContact CD1-CE1 4.07Å; Y115-Y118 PolarHBondContact O-N 2.77Å; Y115-Y118 VanDerWaalsContact O-N 3.08Å; G116-Y118 PolarHBondContact O-N 2.89Å; Y118-G120 PolarHBondContact O-N 3.04Å; Y118-I122 VanDerWaalsContact O-CB 3.31Å; Y118-I122 WeakPolarHBondContact O-CB 3.23Å; Y118-I122 VanDerWaalsContact O-CD1 3.32Å; Y118-I122 WeakPolarHBondContact O-CD1 3.3Å; Y118-I122 WeakPolarHBondContact O-CG1 3.39Å; Y118-I122 PolarHBondContact O-N 3.36Å; Y118-L165 HydrophobicContact CD1-CD2 4.11Å; Y118-L165 HydrophobicContact CG-CD2 4.28Å; Y118-F169 HydrophobicContact CD2-CE2 4.28Å; Y118-F169 AromaticContact CD2-CZ 3.62Å; Y118-F169 HydrophobicContact CD2-CZ 3.62Å; Y118-F169 HydrophobicContact CE2-CZ 4.19Å; Y118-F169 HydrophobicContact CG-CE2 4.39Å; Y118-F169 HydrophobicContact CG-CZ 4.17Å
119S91.1Very high90.9Very high70 Ų7064 Ų6449%0.4934%0.336SS..Hα-helixtrans-67.1-33-177.167.20000113.3Y115 G116 G123Y115-S119 PolarHBondContact O-N 2.91Å; Y115-S119 PolarHBondContact O-OG 3.08Å; Y115-S119 VanDerWaalsContact O-OG 3.11Å; G116-S119 WeakPolarHBondContact CA-OG 3.44Å; S119-G123 PolarHBondContact O-N 2.98Å
120G89.9Confident91.1Very high37 Ų3757.7 Ų57.738%0.38132%0.318SS..Hα-helixtrans-63.6-60.1176.200000112.6G116 Y118 I122 G123 S124G116-G120 PolarHBondContact O-N 3.04Å; Y118-G120 PolarHBondContact O-N 3.04Å; G120-I122 PolarHBondContact O-N 3.48Å; G120-G123 PolarHBondContact O-N 2.99Å; G120-S124 WeakPolarHBondContact O-CB 3.46Å; G120-S124 PolarHBondContact O-N 2.82Å; G120-S124 PolarHBondContact O-OG 3.37Å
121P90.6Very high91.3Very high13 Ų1354.4 Ų54.48%0.08431%0.306CS..Hα-helixtrans-58.5-41.3175-29.539.4000113.5W79 I117 S124 A125W79-P121 HydrophobicContact CE3-CB 3.77Å; W79-P121 HydrophobicContact CZ3-CB 4.36Å; W79-P121 VanDerWaalsContact CZ3-O 3.29Å; W79-P121 WeakPolarHBondContact CZ3-O 3.28Å; I117-P121 WeakPolarHBondContact O-CD 2.88Å; I117-P121 WeakPolarHBondContact O-CG 3.49Å; P121-S124 PolarHBondContact O-OG 2.94Å; P121-A125 WeakPolarHBondContact O-CB 3.47Å; P121-A125 PolarHBondContact O-N 3.49Å
122I93.8Very high91.5Very high41 Ų4152.2 Ų52.221%0.2129%0.292CS..Hα-helixtrans-64.6-53.4177.8-68166.4000111I78 L82 Y118 G120 S124 A125 V126 L165I78-I122 HydrophobicContact CG2-CD1 3.97Å; I78-I122 HydrophobicContact CG2-CG1 3.46Å; I78-I122 VanDerWaalsContact CG2-CG1 3.46Å; L82-I122 HydrophobicContact CD1-CB 4.47Å; L82-I122 HydrophobicContact CD1-CG1 4.24Å; L82-I122 HydrophobicContact CD1-CG2 4.5Å; Y118-I122 VanDerWaalsContact O-CB 3.31Å; Y118-I122 WeakPolarHBondContact O-CB 3.23Å; Y118-I122 VanDerWaalsContact O-CD1 3.32Å; Y118-I122 WeakPolarHBondContact O-CD1 3.3Å; Y118-I122 WeakPolarHBondContact O-CG1 3.39Å; Y118-I122 PolarHBondContact O-N 3.36Å; G120-I122 PolarHBondContact O-N 3.48Å; I122-S124 PolarHBondContact O-N 2.68Å; I122-A125 PolarHBondContact O-N 3.38Å; I122-V126 HydrophobicContact CG2-CG2 4.22Å; I122-V126 WeakPolarHBondContact O-CB 3.41Å; I122-V126 VanDerWaalsContact O-CG2 3.25Å; I122-V126 WeakPolarHBondContact O-CG2 3.2Å; I122-V126 PolarHBondContact O-N 2.82Å; I122-L165 HydrophobicContact CD1-CD1 3.48Å; I122-L165 VanDerWaalsContact CD1-CD1 3.48Å; I122-L165 HydrophobicContact CD1-CD2 4.16Å; I122-L165 HydrophobicContact CD1-CG 4.45Å
123G94.1Very high91.9Very high41 Ų4150.1 Ų50.142%0.42329%0.285SS..Hα-helixtrans-61.8-42.8-176.200000112.5S119 G120 F127S119-G123 PolarHBondContact O-N 2.98Å; G120-G123 PolarHBondContact O-N 2.99Å; G123-F127 VanDerWaalsContact O-CB 3.3Å; G123-F127 WeakPolarHBondContact O-CB 3.3Å; G123-F127 PolarHBondContact O-N 2.72Å
124S93.5Very high92.3Very high51 Ų5147.2 Ų47.236%0.35728%0.281SS..Hα-helixtrans-70.4-41.9177.7550000112.8W79 G120 P121 I122 F127 I128W79-S124 WeakPolarHBondContact CZ3-OG 3.09Å; G120-S124 WeakPolarHBondContact O-CB 3.46Å; G120-S124 PolarHBondContact O-N 2.82Å; G120-S124 PolarHBondContact O-OG 3.37Å; P121-S124 PolarHBondContact O-OG 2.94Å; I122-S124 PolarHBondContact O-N 2.68Å; S124-F127 PolarHBondContact O-N 3.01Å; S124-I128 WeakPolarHBondContact O-CD1 3.46Å; S124-I128 WeakPolarHBondContact O-CG1 3.36Å; S124-I128 PolarHBondContact O-N 3.02Å
125A94.8Very high92.7Very high0 Ų052.1 Ų52.10%030%0.3CS..Hα-helixtrans-63.4-46.5174.500000111.9W79 L82 I83 P121 I122 F127 I128 I129W79-A125 HydrophobicContact CE3-CB 3.84Å; W79-A125 HydrophobicContact CH2-CB 4.45Å; W79-A125 HydrophobicContact CZ3-CB 3.72Å; L82-A125 HydrophobicContact CB-CB 3.72Å; L82-A125 HydrophobicContact CD1-CB 3.87Å; L82-A125 HydrophobicContact CG-CB 4.43Å; I83-A125 HydrophobicContact CD1-CB 4.44Å; P121-A125 WeakPolarHBondContact O-CB 3.47Å; P121-A125 PolarHBondContact O-N 3.49Å; I122-A125 PolarHBondContact O-N 3.38Å; A125-F127 VanDerWaalsContact C-N 3.29Å; A125-F127 PolarHBondContact O-N 3.34Å; A125-I128 PolarHBondContact O-N 3.45Å; A125-I129 WeakPolarHBondContact O-CB 3.23Å; A125-I129 VanDerWaalsContact O-CD1 3.3Å; A125-I129 WeakPolarHBondContact O-CD1 3.46Å; A125-I129 WeakPolarHBondContact O-CG1 3.46Å; A125-I129 PolarHBondContact O-N 2.69Å
126V94.9Very high93Very high66 Ų6649.5 Ų49.540%0.429%0.291SS..Hα-helixtrans-59.5-39.8176.6169.60000111.4I122 T130I122-V126 HydrophobicContact CG2-CG2 4.22Å; I122-V126 WeakPolarHBondContact O-CB 3.41Å; I122-V126 VanDerWaalsContact O-CG2 3.25Å; I122-V126 WeakPolarHBondContact O-CG2 3.2Å; I122-V126 PolarHBondContact O-N 2.82Å; V126-T130 VanDerWaalsContact O-CB 3.25Å; V126-T130 WeakPolarHBondContact O-CB 3.5Å; V126-T130 PolarHBondContact O-N 3.29Å; V126-T130 PolarHBondContact O-OG1 3.13Å
127F95.4Very high93.3Very high141 Ų14149.4 Ų49.462%0.61828%0.28SS*.Hα-helixtrans-62.4-49175.3178-102.4000112G123 S124 A125 I129 T130 V131G123-F127 VanDerWaalsContact O-CB 3.3Å; G123-F127 WeakPolarHBondContact O-CB 3.3Å; G123-F127 PolarHBondContact O-N 2.72Å; S124-F127 PolarHBondContact O-N 3.01Å; A125-F127 VanDerWaalsContact C-N 3.29Å; A125-F127 PolarHBondContact O-N 3.34Å; F127-I129 PolarHBondContact O-N 3.43Å; F127-T130 PolarHBondContact O-N 3.44Å; F127-V131 HydrophobicContact CD1-CG2 4.41Å; F127-V131 HydrophobicContact CD2-CG2 4.39Å; F127-V131 HydrophobicContact CE1-CG2 4.06Å; F127-V131 HydrophobicContact CE2-CG2 4.03Å; F127-V131 HydrophobicContact CZ-CG2 3.85Å; F127-V131 WeakPolarHBondContact O-CG2 3.34Å; F127-V131 PolarHBondContact O-N 2.96Å
128I94.9Very high93.5Very high50 Ų5057.8 Ų57.826%0.25632%0.316SS..Hα-helixtrans-63.9-41.2-179.6-60.7160.5000110.9W79 F88 L96 S124 A125 K132W79-I128 HydrophobicContact CH2-CD1 4.49Å; F88-I128 HydrophobicContact CE1-CG2 4.08Å; F88-I128 HydrophobicContact CZ-CG2 3.76Å; L96-I128 HydrophobicContact CD1-CG2 4.24Å; L96-I128 HydrophobicContact CD2-CD1 4.11Å; S124-I128 WeakPolarHBondContact O-CD1 3.46Å; S124-I128 WeakPolarHBondContact O-CG1 3.36Å; S124-I128 PolarHBondContact O-N 3.02Å; A125-I128 PolarHBondContact O-N 3.45Å; I128-K132 PolarHBondContact O-N 2.95Å
129I94.3Very high93.6Very high7 Ų763.5 Ų63.54%0.03634%0.343CS..Hα-helixtrans-62-49175-64.8159.8000110.4L82 F88 A125 F127 V131 K132 W133L82-I129 HydrophobicContact CB-CD1 3.99Å; L82-I129 WeakPolarHBondContact O-CD1 3.34Å; F88-I129 HydrophobicContact CE2-CG1 4.37Å; F88-I129 HydrophobicContact CZ-CG1 4.38Å; A125-I129 WeakPolarHBondContact O-CB 3.23Å; A125-I129 VanDerWaalsContact O-CD1 3.3Å; A125-I129 WeakPolarHBondContact O-CD1 3.46Å; A125-I129 WeakPolarHBondContact O-CG1 3.46Å; A125-I129 PolarHBondContact O-N 2.69Å; F127-I129 PolarHBondContact O-N 3.43Å; I129-V131 PolarHBondContact O-N 3.24Å; I129-K132 PolarHBondContact O-N 3.45Å; I129-W133 HydrophobicContact CG2-CD2 3.67Å; I129-W133 VanDerWaalsContact CG2-CE2 3.41Å; I129-W133 HydrophobicContact CG2-CE3 4.04Å; I129-W133 HydrophobicContact CG2-CG 4.22Å; I129-W133 HydrophobicContact CG2-CH2 4.01Å; I129-W133 HydrophobicContact CG2-CZ2 3.62Å; I129-W133 HydrophobicContact CG2-CZ3 4.2Å; I129-W133 WeakPolarHBondContact O-CB 3.24Å; I129-W133 PolarHBondContact O-N 3.09Å
130T93.9Very high93.5Very high65 Ų6563.9 Ų63.940%0.39934%0.342SS..Hα-helixtrans-60.2-45.5179.6-61.10000111.5V126 F127 K132 W133 L134V126-T130 VanDerWaalsContact O-CB 3.25Å; V126-T130 WeakPolarHBondContact O-CB 3.5Å; V126-T130 PolarHBondContact O-N 3.29Å; V126-T130 PolarHBondContact O-OG1 3.13Å; F127-T130 PolarHBondContact O-N 3.44Å; T130-K132 PolarHBondContact O-N 3.48Å; T130-W133 PolarHBondContact O-N 3.33Å; T130-L134 HydrophobicContact CG2-CD1 3.8Å; T130-L134 HydrophobicContact CG2-CG 4.33Å; T130-L134 WeakPolarHBondContact O-CB 3.29Å; T130-L134 VanDerWaalsContact O-CG 3.26Å; T130-L134 WeakPolarHBondContact O-CG 3.46Å; T130-L134 PolarHBondContact O-N 3.25Å
131V95.2Very high93.4Very high50 Ų5073.3 Ų73.330%0.30337%0.366SS..Hα-helixtrans-59.6-46.8175.9169.60000111.1F127 I129 L134 Q135F127-V131 HydrophobicContact CD1-CG2 4.41Å; F127-V131 HydrophobicContact CD2-CG2 4.39Å; F127-V131 HydrophobicContact CE1-CG2 4.06Å; F127-V131 HydrophobicContact CE2-CG2 4.03Å; F127-V131 HydrophobicContact CZ-CG2 3.85Å; F127-V131 WeakPolarHBondContact O-CG2 3.34Å; F127-V131 PolarHBondContact O-N 2.96Å; I129-V131 PolarHBondContact O-N 3.24Å; V131-L134 PolarHBondContact O-N 3.48Å; V131-Q135 WeakPolarHBondContact O-CB 3.43Å; V131-Q135 VanDerWaalsContact O-CG 3.28Å; V131-Q135 WeakPolarHBondContact O-CG 3.48Å; V131-Q135 PolarHBondContact O-N 3.37Å
132K94.1Very high93.2Very high34 Ų3474.4 Ų74.415%0.14838%0.38CS..Hα-helixtrans-61.8-45.3176.3176.7-179.6168-172.30112G86 D87 F88 I128 I129 T130 Q135 K136G86-K132 WeakPolarHBondContact O-CD 3.4Å; G86-K132 PolarHBondContact O-NZ 3.09Å; D87-K132 PolarHBondContact O-NZ 2.94Å; F88-K132 HydrophobicContact CD1-CD 3.67Å; F88-K132 HydrophobicContact CE1-CB 4.17Å; F88-K132 HydrophobicContact CE1-CD 3.49Å; F88-K132 VanDerWaalsContact CE1-CD 3.49Å; F88-K132 HydrophobicContact CE1-CG 4.4Å; F88-K132 HydrophobicContact CZ-CD 4.27Å; I128-K132 PolarHBondContact O-N 2.95Å; I129-K132 PolarHBondContact O-N 3.45Å; T130-K132 PolarHBondContact O-N 3.48Å; K132-Q135 PolarHBondContact O-N 2.83Å; K132-K136 WeakPolarHBondContact O-CB 3.32Å; K132-K136 PolarHBondContact O-N 3.06Å
133W93.9Very high92.9Very high17 Ų1777.1 Ų77.16%0.06439%0.394CS..Hα-helixtrans-65.8-41.7-178.2-70.62.5000111.1L85 I129 T130 K136 M137 Y144 P145 Y150 V154L85-W133 HydrophobicContact CD1-CH2 4.12Å; L85-W133 HydrophobicContact CD1-CZ2 4.06Å; L85-W133 HydrophobicContact CD2-CH2 4.37Å; L85-W133 HydrophobicContact CG-CH2 4.14Å; L85-W133 HydrophobicContact CG-CZ2 4.04Å; I129-W133 HydrophobicContact CG2-CD2 3.67Å; I129-W133 VanDerWaalsContact CG2-CE2 3.41Å; I129-W133 HydrophobicContact CG2-CE3 4.04Å; I129-W133 HydrophobicContact CG2-CG 4.22Å; I129-W133 HydrophobicContact CG2-CH2 4.01Å; I129-W133 HydrophobicContact CG2-CZ2 3.62Å; I129-W133 HydrophobicContact CG2-CZ3 4.2Å; I129-W133 WeakPolarHBondContact O-CB 3.24Å; I129-W133 PolarHBondContact O-N 3.09Å; T130-W133 PolarHBondContact O-N 3.33Å; W133-K136 PolarHBondContact O-N 3.34Å; W133-M137 VanDerWaalsContact O-CG 3.29Å; W133-M137 WeakPolarHBondContact O-CG 3.35Å; W133-M137 PolarHBondContact O-N 3.48Å; W133-Y144 HydrophobicContact CB-CD1 4.47Å; W133-Y144 AromaticContact CD1-CD1 3.99Å; W133-Y144 AromaticContact CD1-CE1 3.53Å; W133-Y144 HydrophobicContact CG-CD1 4.24Å; W133-Y144 HydrophobicContact CG-CE1 4.21Å; W133-Y144 AromaticContact NE1-CE1 3.82Å; W133-P145 HydrophobicContact CD2-CG 4.26Å; W133-P145 HydrophobicContact CE3-CG 4.49Å; W133-P145 HydrophobicContact CH2-CG 3.98Å; W133-P145 HydrophobicContact CZ2-CG 3.69Å; W133-P145 HydrophobicContact CZ3-CG 4.37Å; W133-Y150 HydrophobicContact CE3-CE1 4.24Å; W133-Y150 VanDerWaalsContact CE3-OH 3.3Å; W133-Y150 AromaticContact CZ3-CE1 3.75Å; W133-Y150 HydrophobicContact CZ3-CE1 3.75Å; W133-Y150 AromaticContact CZ3-CZ 3.92Å; W133-V154 HydrophobicContact CH2-CG2 4.2Å
134L93.6Very high92.6Very high105 Ų10577.6 Ų77.655%0.5538%0.384SS..Hα-helixtrans-60.3-44.7172.4-72.1168.2000112.4T130 V131 K136 M137 K138T130-L134 HydrophobicContact CG2-CD1 3.8Å; T130-L134 HydrophobicContact CG2-CG 4.33Å; T130-L134 WeakPolarHBondContact O-CB 3.29Å; T130-L134 VanDerWaalsContact O-CG 3.26Å; T130-L134 WeakPolarHBondContact O-CG 3.46Å; T130-L134 PolarHBondContact O-N 3.25Å; V131-L134 PolarHBondContact O-N 3.48Å; L134-K136 VanDerWaalsContact C-N 3.34Å; L134-K136 PolarHBondContact O-N 3.29Å; L134-M137 HydrophobicContact CD2-CE 4.04Å; L134-M137 PolarHBondContact O-N 3.01Å; L134-K138 PolarHBondContact O-N 3.21Å
135Q94Very high92.3Very high115 Ų11575.9 Ų75.954%0.53737%0.371SS..Hα-helixtrans-58.7-46.2173-74.2169.8-5.900111V131 K132 M137 K138 E139V131-Q135 WeakPolarHBondContact O-CB 3.43Å; V131-Q135 VanDerWaalsContact O-CG 3.28Å; V131-Q135 WeakPolarHBondContact O-CG 3.48Å; V131-Q135 PolarHBondContact O-N 3.37Å; K132-Q135 PolarHBondContact O-N 2.83Å; Q135-M137 PolarHBondContact O-N 3.42Å; Q135-K138 WeakPolarHBondContact O-CB 3.2Å; Q135-K138 PolarHBondContact O-N 3.25Å; Q135-K138 VanDerWaalsContact O-N 3.16Å; Q135-E139 PolarHBondContact O-N 3.5Å
136K91.9Very high91.9Very high78 Ų7882.4 Ų82.434%0.33940%0.402SS..Hα-helixtrans-67.3-38.9-177.7-163.354.1171.4-177.50112.8K132 W133 L134 K138 E139 T140 Y144K132-K136 WeakPolarHBondContact O-CB 3.32Å; K132-K136 PolarHBondContact O-N 3.06Å; W133-K136 PolarHBondContact O-N 3.34Å; L134-K136 VanDerWaalsContact C-N 3.34Å; L134-K136 PolarHBondContact O-N 3.29Å; K136-K138 VanDerWaalsContact C-N 3.29Å; K136-K138 PolarHBondContact O-N 2.88Å; K136-E139 HydrophobicContact CD-CB 4.48Å; K136-E139 WeakPolarHBondContact CD-OE2 3.15Å; K136-E139 WeakPolarHBondContact CE-OE2 3.31Å; K136-E139 IonicContact NZ-OE2 2.63Å; K136-E139 PolarHBondContact NZ-OE2 3.42Å; K136-E139 WeakPolarHBondContact O-CB 3.44Å; K136-E139 PolarHBondContact O-N 2.93Å; K136-T140 HydrophobicContact CD-CG2 4.29Å; K136-T140 HydrophobicContact CG-CG2 4.41Å; K136-T140 PolarHBondContact O-N 2.93Å; K136-T140 PolarHBondContact O-OG1 2.9Å; K136-Y144 HydrophobicContact CB-CD1 3.87Å; K136-Y144 HydrophobicContact CB-CE1 4.22Å; K136-Y144 HydrophobicContact CB-CG 4.38Å; K136-Y144 HydrophobicContact CG-CD1 3.93Å; K136-Y144 HydrophobicContact CG-CD2 4.39Å; K136-Y144 HydrophobicContact CG-CE1 4.16Å; K136-Y144 HydrophobicContact CG-CG 4.05Å
137M93.1Very high91.5Very high44 Ų4487 Ų8722%0.21742%0.416CS..Hα-helixtrans-64.2-33.4173.5-69.2-170.8-77.900112.5W133 L134 Q135 R141 G142 L143 Y144W133-M137 VanDerWaalsContact O-CG 3.29Å; W133-M137 WeakPolarHBondContact O-CG 3.35Å; W133-M137 PolarHBondContact O-N 3.48Å; L134-M137 HydrophobicContact CD2-CE 4.04Å; L134-M137 PolarHBondContact O-N 3.01Å; Q135-M137 PolarHBondContact O-N 3.42Å; M137-R141 VanDerWaalsContact O-CA 3.31Å; M137-R141 WeakPolarHBondContact O-CA 3.5Å; M137-R141 PolarHBondContact O-N 3.03Å; M137-G142 WeakPolarHBondContact CA-O 3.42Å; M137-G142 WeakPolarHBondContact CB-O 3.35Å; M137-G142 VanDerWaalsContact CG-O 3.27Å; M137-G142 WeakPolarHBondContact CG-O 3.38Å; M137-L143 HydrophobicContact SD-CD1 3.79Å; M137-L143 HydrophobicContact SD-CG 4.35Å; M137-Y144 VanDerWaalsContact CG-N 3.32Å; M137-Y144 PolarHBondContact SD-N 3.14Å
138K94.1Very high91.1Very high181 Ų18188 Ų8879%0.78742%0.416SS*.Hα-helixtrans-68.4-38.4173.4-173.2179.8178.5-1790112.3L134 Q135 K136L134-K138 PolarHBondContact O-N 3.21Å; Q135-K138 WeakPolarHBondContact O-CB 3.2Å; Q135-K138 PolarHBondContact O-N 3.25Å; Q135-K138 VanDerWaalsContact O-N 3.16Å; K136-K138 VanDerWaalsContact C-N 3.29Å; K136-K138 PolarHBondContact O-N 2.88Å
139E93.7Very high90.8Very high128 Ų12887.6 Ų87.660%0.59842%0.416SS*.Hα-helixtrans-66.9-51.6174.3-69.8172.2-162.400112.3Q135 K136 R141Q135-E139 PolarHBondContact O-N 3.5Å; K136-E139 HydrophobicContact CD-CB 4.48Å; K136-E139 WeakPolarHBondContact CD-OE2 3.15Å; K136-E139 WeakPolarHBondContact CE-OE2 3.31Å; K136-E139 IonicContact NZ-OE2 2.63Å; K136-E139 PolarHBondContact NZ-OE2 3.42Å; K136-E139 WeakPolarHBondContact O-CB 3.44Å; K136-E139 PolarHBondContact O-N 2.93Å; E139-R141 VanDerWaalsContact C-N 3.34Å
140T89.2Confident90.5Very high77 Ų7790.6 Ų90.647%0.47243%0.427SS..Hα-helixtrans-82.8-10.8-173.360.90000113.8K136 G142K136-T140 HydrophobicContact CD-CG2 4.29Å; K136-T140 HydrophobicContact CG-CG2 4.41Å; K136-T140 PolarHBondContact O-N 2.93Å; K136-T140 PolarHBondContact O-OG1 2.9Å; T140-G142 PolarHBondContact O-N 3.26Å; T140-G142 PolarHBondContact OG1-O 2.9Å
141R87.7Confident90.3Very high235 Ų23592.2 Ų92.289%0.88744%0.438SS*.THydrogen-bonded Turntrans53.132.1-172.5-58.5-175.3177.1-173.1-0.6113.6M137 E139M137-R141 VanDerWaalsContact O-CA 3.31Å; M137-R141 WeakPolarHBondContact O-CA 3.5Å; M137-R141 PolarHBondContact O-N 3.03Å; E139-R141 VanDerWaalsContact C-N 3.34Å
142G87.1Confident90Very high37 Ų3794.3 Ų94.338%0.38144%0.444SS..SBendtrans-151.2165.9-179.400000112.1M137 T140 Y144M137-G142 WeakPolarHBondContact CA-O 3.42Å; M137-G142 WeakPolarHBondContact CB-O 3.35Å; M137-G142 VanDerWaalsContact CG-O 3.27Å; M137-G142 WeakPolarHBondContact CG-O 3.38Å; T140-G142 PolarHBondContact O-N 3.26Å; T140-G142 PolarHBondContact OG1-O 2.9Å; G142-Y144 PolarHBondContact O-N 3Å
143L88.3Confident89.9Confident97 Ų9793.5 Ų93.551%0.50844%0.441SS..  trans-68.1130.4-179.1-167.482.2000111.2M137 P145 K147 Y150M137-L143 HydrophobicContact SD-CD1 3.79Å; M137-L143 HydrophobicContact SD-CG 4.35Å; L143-P145 CarbonylContact C-O 3.53Å; L143-K147 HydrophobicContact CD2-CB 4.4Å; L143-K147 HydrophobicContact CD2-CG 3.41Å; L143-K147 VanDerWaalsContact CD2-CG 3.41Å; L143-Y150 HydrophobicContact CD2-CD2 4.36Å; L143-Y150 HydrophobicContact CD2-CE2 4.32Å; L143-Y150 HydrophobicContact CG-CE2 4.39Å
144Y86.4Confident90Very high51 Ų5193.4 Ų93.420%0.244%0.442CS..SBendtrans-140.6129.2176170.7-87.9000109.8D87 W133 K136 M137 G142 Y150D87-Y144 PolarHBondContact OD2-OH 2.82Å; W133-Y144 HydrophobicContact CB-CD1 4.47Å; W133-Y144 AromaticContact CD1-CD1 3.99Å; W133-Y144 AromaticContact CD1-CE1 3.53Å; W133-Y144 HydrophobicContact CG-CD1 4.24Å; W133-Y144 HydrophobicContact CG-CE1 4.21Å; W133-Y144 AromaticContact NE1-CE1 3.82Å; K136-Y144 HydrophobicContact CB-CD1 3.87Å; K136-Y144 HydrophobicContact CB-CE1 4.22Å; K136-Y144 HydrophobicContact CB-CG 4.38Å; K136-Y144 HydrophobicContact CG-CD1 3.93Å; K136-Y144 HydrophobicContact CG-CD2 4.39Å; K136-Y144 HydrophobicContact CG-CE1 4.16Å; K136-Y144 HydrophobicContact CG-CG 4.05Å; M137-Y144 VanDerWaalsContact CG-N 3.32Å; M137-Y144 PolarHBondContact SD-N 3.14Å; G142-Y144 PolarHBondContact O-N 3Å; Y144-Y150 PolarHBondContact O-OH 2.93Å
145P87.4Confident90Very high15 Ų1590 Ų9010%0.09743%0.432CS..SBendcis-61.7176.4-8.3-26.937.4000115W133 L143 V149 Y150W133-P145 HydrophobicContact CD2-CG 4.26Å; W133-P145 HydrophobicContact CE3-CG 4.49Å; W133-P145 HydrophobicContact CH2-CG 3.98Å; W133-P145 HydrophobicContact CZ2-CG 3.69Å; W133-P145 HydrophobicContact CZ3-CG 4.37Å; L143-P145 CarbonylContact C-O 3.53Å; P145-V149 HydrophobicContact CB-CB 3.92Å; P145-V149 HydrophobicContact CB-CG1 3.95Å; P145-V149 HydrophobicContact CB-CG2 4.43Å; P145-Y150 HydrophobicContact CB-CE2 4.35Å; P145-Y150 VanDerWaalsContact O-CE2 3.27Å; P145-Y150 WeakPolarHBondContact O-CE2 3.45Å
146E86.6Confident90Very high138 Ų13886.6 Ų86.665%0.64542%0.42SS*.  trans-60.6149.4175.7-63.8176-170.200112.1R148 V149 Y150E146-R148 PolarHBondContact O-N 3.48Å; E146-V149 HydrophobicContact CB-CG2 4.3Å; E146-V149 WeakPolarHBondContact O-CB 3.33Å; E146-V149 PolarHBondContact O-N 3.38Å; E146-Y150 PolarHBondContact O-N 3.44Å
147K86.9Confident90.2Very high161 Ų16182.9 Ų82.970%0.740%0.404SS*.Hα-helixtrans-49.1-36.4176.1-67.7-175.1178.9-177.80113L143 Y150 T151L143-K147 HydrophobicContact CD2-CB 4.4Å; L143-K147 HydrophobicContact CD2-CG 3.41Å; L143-K147 VanDerWaalsContact CD2-CG 3.41Å; K147-Y150 PolarHBondContact O-N 2.79Å; K147-T151 PolarHBondContact O-N 2.86Å; K147-T151 PolarHBondContact O-OG1 3.37Å
148R87.6Confident90.4Very high163 Ų16383.7 Ų83.762%0.61541%0.413SS*.Hα-helixtrans-67.3-34.4178.4-172.8178.4179.5171.33.2113.1E146 Q152E146-R148 PolarHBondContact O-N 3.48Å; R148-Q152 HydrophobicContact CG-CG 4.1Å; R148-Q152 VanDerWaalsContact O-CB 3.24Å; R148-Q152 WeakPolarHBondContact O-CB 3.45Å; R148-Q152 WeakPolarHBondContact O-CG 3.3Å; R148-Q152 PolarHBondContact O-N 3.45Å
149V88.8Confident90.5Very high42 Ų4279.3 Ų79.326%0.25540%0.404SS..Hα-helixtrans-70.3-40.7175.8179.80000109.7P145 E146 Q153 V154P145-V149 HydrophobicContact CB-CB 3.92Å; P145-V149 HydrophobicContact CB-CG1 3.95Å; P145-V149 HydrophobicContact CB-CG2 4.43Å; E146-V149 HydrophobicContact CB-CG2 4.3Å; E146-V149 WeakPolarHBondContact O-CB 3.33Å; E146-V149 PolarHBondContact O-N 3.38Å; V149-Q153 HydrophobicContact CG1-CB 4.33Å; V149-Q153 WeakPolarHBondContact O-CA 3.46Å; V149-Q153 WeakPolarHBondContact O-CB 3.49Å; V149-Q153 PolarHBondContact O-N 3.01Å; V149-V154 HydrophobicContact CG1-CG2 4.19Å; V149-V154 PolarHBondContact O-N 2.95Å
150Y87.6Confident90.7Very high69 Ų6976.9 Ų76.927%0.27139%0.392SS..Iπ-helixtrans-58.6-51.9172.3-78.4-77.5000112.4W133 L143 Y144 P145 E146 K147 V154 G155W133-Y150 HydrophobicContact CE3-CE1 4.24Å; W133-Y150 VanDerWaalsContact CE3-OH 3.3Å; W133-Y150 AromaticContact CZ3-CE1 3.75Å; W133-Y150 HydrophobicContact CZ3-CE1 3.75Å; W133-Y150 AromaticContact CZ3-CZ 3.92Å; L143-Y150 HydrophobicContact CD2-CD2 4.36Å; L143-Y150 HydrophobicContact CD2-CE2 4.32Å; L143-Y150 HydrophobicContact CG-CE2 4.39Å; Y144-Y150 PolarHBondContact O-OH 2.93Å; P145-Y150 HydrophobicContact CB-CE2 4.35Å; P145-Y150 VanDerWaalsContact O-CE2 3.27Å; P145-Y150 WeakPolarHBondContact O-CE2 3.45Å; E146-Y150 PolarHBondContact O-N 3.44Å; K147-Y150 PolarHBondContact O-N 2.79Å; Y150-V154 HydrophobicContact CD1-CB 4.43Å; Y150-V154 PolarHBondContact O-N 2.88Å; Y150-G155 PolarHBondContact O-N 3.33Å
151T88.2Confident91Very high100 Ų10073.9 Ų73.961%0.61338%0.376SS*.Iπ-helixtrans-78.9-30.5-173.857.20000114.8K147 P156K147-T151 PolarHBondContact O-N 2.86Å; K147-T151 PolarHBondContact O-OG1 3.37Å; T151-P156 WeakPolarHBondContact O-CD 3.45Å; T151-P156 WeakPolarHBondContact O-CG 3.25Å
152Q89.8Confident91.4Very high94 Ų9465.2 Ų65.244%0.43936%0.355SS..Iπ-helixtrans-102.6-3.8-176.5-56.8-171.4-18.300114.5R148R148-Q152 HydrophobicContact CG-CG 4.1Å; R148-Q152 VanDerWaalsContact O-CB 3.24Å; R148-Q152 WeakPolarHBondContact O-CB 3.45Å; R148-Q152 WeakPolarHBondContact O-CG 3.3Å; R148-Q152 PolarHBondContact O-N 3.45Å
153Q93.1Very high91.9Very high16 Ų1666.5 Ų66.58%0.07535%0.352CS..Iπ-helixtrans-137.9-63.6-176.1-162.5-173.9-53.300112.1V149 G157 L193 L194V149-Q153 HydrophobicContact CG1-CB 4.33Å; V149-Q153 WeakPolarHBondContact O-CA 3.46Å; V149-Q153 WeakPolarHBondContact O-CB 3.49Å; V149-Q153 PolarHBondContact O-N 3.01Å; Q153-G157 PolarHBondContact O-N 2.62Å; Q153-L193 WeakPolarHBondContact CG-O 3.45Å; Q153-L194 PolarHBondContact NE2-O 3.25Å
154V94Very high92.3Very high15 Ų1561.9 Ų61.99%0.09133%0.328CS..Iπ-helixtrans-70.8-51.7-170.5-174.30000111.7L85 W133 V149 Y150 G157 C158L85-V154 HydrophobicContact CD1-CG2 4Å; L85-V154 HydrophobicContact CD2-CG1 4.37Å; L85-V154 HydrophobicContact CD2-CG2 4.49Å; W133-V154 HydrophobicContact CH2-CG2 4.2Å; V149-V154 HydrophobicContact CG1-CG2 4.19Å; V149-V154 PolarHBondContact O-N 2.95Å; Y150-V154 HydrophobicContact CD1-CB 4.43Å; Y150-V154 PolarHBondContact O-N 2.88Å; V154-G157 PolarHBondContact O-N 3.41Å; V154-C158 WeakPolarHBondContact O-CB 3.35Å; V154-C158 PolarHBondContact O-N 3.08Å; V154-C158 PolarHBondContact O-SG 3.43Å
155G94Very high92.6Very high33 Ų3361 Ų6134%0.3433%0.327SS..Hα-helixtrans-56-59.2179.600000112.5Y150 G157 C158 C159Y150-G155 PolarHBondContact O-N 3.33Å; G155-G157 VanDerWaalsContact C-N 3.32Å; G155-G157 PolarHBondContact O-N 2.94Å; G155-C158 PolarHBondContact O-N 3Å; G155-C159 PolarHBondContact O-N 2.89Å; G155-C159 PolarHBondContact O-SG 3.37Å
156P95.6Very high93Very high44 Ų4464.2 Ų64.229%0.28634%0.342SS..Hα-helixtrans-56.6-42.5176.8-27.636.5000113.2T151 C159 F160 L193T151-P156 WeakPolarHBondContact O-CD 3.45Å; T151-P156 WeakPolarHBondContact O-CG 3.25Å; P156-C159 PolarHBondContact O-N 3.31Å; P156-F160 VanDerWaalsContact O-CD2 3.3Å; P156-F160 WeakPolarHBondContact O-CD2 3.43Å; P156-F160 PolarHBondContact O-N 3.37Å; P156-L193 HydrophobicContact CB-CD1 4.08Å
157G96.1Very high93.4Very high0 Ų058.6 Ų58.60%032%0.316CS..Hα-helixtrans-62.2-43.2177.500000113Q153 V154 G155 F160 G161 S190Q153-G157 PolarHBondContact O-N 2.62Å; V154-G157 PolarHBondContact O-N 3.41Å; G155-G157 VanDerWaalsContact C-N 3.32Å; G155-G157 PolarHBondContact O-N 2.94Å; G157-F160 PolarHBondContact O-N 2.9Å; G157-G161 PolarHBondContact O-N 3.3Å; G157-S190 WeakPolarHBondContact O-CB 3.45Å; G157-S190 PolarHBondContact O-OG 2.64Å
158C95.4Very high93.7Very high62 Ų6252.4 Ų52.442%0.41929%0.288SS..Hα-helixtrans-66.9-37.5174.6-71.50000112.2V154 G155 G161 A162V154-C158 WeakPolarHBondContact O-CB 3.35Å; V154-C158 PolarHBondContact O-N 3.08Å; V154-C158 PolarHBondContact O-SG 3.43Å; G155-C158 PolarHBondContact O-N 3Å; C158-G161 PolarHBondContact O-N 2.81Å; C158-A162 VanDerWaalsContact O-CB 3.32Å; C158-A162 WeakPolarHBondContact O-CB 3.28Å; C158-A162 PolarHBondContact O-N 3.4Å
159C96.8Very high93.9Very high88 Ų8846.6 Ų46.660%0.59527%0.267SS*.Hα-helixtrans-62.6-45.7174.8-67.70000111.9G155 P156 A162 L163G155-C159 PolarHBondContact O-N 2.89Å; G155-C159 PolarHBondContact O-SG 3.37Å; P156-C159 PolarHBondContact O-N 3.31Å; C159-A162 PolarHBondContact O-N 3.22Å; C159-L163 WeakPolarHBondContact O-CB 3.47Å; C159-L163 PolarHBondContact O-N 2.91Å
160F97.6Very high94.1Very high78 Ų7851.5 Ų51.534%0.34228%0.282SS..Hα-helixtrans-67.2-34.3175-81.6-69.9000112.9P156 G157 L163 A164 V189 L193P156-F160 VanDerWaalsContact O-CD2 3.3Å; P156-F160 WeakPolarHBondContact O-CD2 3.43Å; P156-F160 PolarHBondContact O-N 3.37Å; G157-F160 PolarHBondContact O-N 2.9Å; F160-L163 HydrophobicContact CD1-CD2 4.36Å; F160-A164 WeakPolarHBondContact O-CB 3.45Å; F160-A164 PolarHBondContact O-N 3.01Å; F160-V189 HydrophobicContact CB-CG1 4.31Å; F160-V189 HydrophobicContact CD1-CG1 4.04Å; F160-V189 HydrophobicContact CD2-CG1 3.61Å; F160-V189 HydrophobicContact CE1-CG1 4.25Å; F160-V189 HydrophobicContact CE2-CG1 3.84Å; F160-V189 HydrophobicContact CG-CB 4.45Å; F160-V189 HydrophobicContact CG-CG1 3.72Å; F160-V189 HydrophobicContact CZ-CG1 4.16Å; F160-L193 HydrophobicContact CD2-CD1 3.63Å; F160-L193 HydrophobicContact CE2-CD1 4.14Å
161G96.4Very high94.4Very high14 Ų1452.1 Ų52.114%0.14429%0.287CS..Hα-helixtrans-68.2-42.817500000112.6G157 C158 A164 L165 S190G157-G161 PolarHBondContact O-N 3.3Å; C158-G161 PolarHBondContact O-N 2.81Å; G161-A164 PolarHBondContact O-N 3.46Å; G161-L165 WeakPolarHBondContact O-CD1 3.38Å; G161-L165 WeakPolarHBondContact O-CG 3.5Å; G161-L165 PolarHBondContact O-N 3.1Å; G161-L165 VanDerWaalsContact O-N 3.09Å; G161-S190 WeakPolarHBondContact CA-OG 3.31Å; G161-S190 PolarHBondContact N-OG 3.25Å
162A95.9Very high94.6Very high52 Ų5249 Ų4943%0.4327%0.265SS..Hα-helixtrans-62.9-44.5173.100000111.2C158 C159 A164 L165 M166C158-A162 VanDerWaalsContact O-CB 3.32Å; C158-A162 WeakPolarHBondContact O-CB 3.28Å; C158-A162 PolarHBondContact O-N 3.4Å; C159-A162 PolarHBondContact O-N 3.22Å; A162-A164 PolarHBondContact O-N 3.42Å; A162-L165 PolarHBondContact O-N 3.13Å; A162-M166 VanDerWaalsContact O-CG 3.29Å; A162-M166 WeakPolarHBondContact O-CG 3.33Å; A162-M166 PolarHBondContact O-N 3.41Å
163L96.9Very high94.6Very high64 Ų6453.8 Ų53.834%0.33529%0.287SS..Hα-helixtrans-57.4-46.5174.3176.660.4000111.7C159 F160 L165 M166 L167 F182C159-L163 WeakPolarHBondContact O-CB 3.47Å; C159-L163 PolarHBondContact O-N 2.91Å; F160-L163 HydrophobicContact CD1-CD2 4.36Å; L163-L165 VanDerWaalsContact C-N 3.35Å; L163-L165 PolarHBondContact O-N 3.37Å; L163-M166 PolarHBondContact O-N 2.69Å; L163-L167 HydrophobicContact CD1-CD1 4.12Å; L163-L167 HydrophobicContact CD1-CG 4.19Å; L163-L167 HydrophobicContact CG-CD1 3.96Å; L163-L167 HydrophobicContact CG-CG 4.5Å; L163-L167 WeakPolarHBondContact O-CD1 2.91Å; L163-L167 VanDerWaalsContact O-CG 3.24Å; L163-L167 WeakPolarHBondContact O-CG 3.24Å; L163-L167 PolarHBondContact O-N 3.5Å; L163-F182 HydrophobicContact CD2-CE1 4.09Å; L163-F182 HydrophobicContact CD2-CZ 4.22Å
164A96.6Very high94.4Very high0 Ų062.7 Ų62.70%032%0.32CS..Hα-helixtrans-57.2-47.5176.400000111.6F160 G161 A162 M166 L167 R168 Y183 S186 M187F160-A164 WeakPolarHBondContact O-CB 3.45Å; F160-A164 PolarHBondContact O-N 3.01Å; G161-A164 PolarHBondContact O-N 3.46Å; A162-A164 PolarHBondContact O-N 3.42Å; A164-M166 PolarHBondContact O-N 3.49Å; A164-L167 PolarHBondContact O-N 3.3Å; A164-R168 PolarHBondContact O-N 3.03Å; A164-Y183 HydrophobicContact CB-CD2 3.92Å; A164-Y183 HydrophobicContact CB-CE2 4.4Å; A164-Y183 VanDerWaalsContact O-CD2 3.23Å; A164-Y183 WeakPolarHBondContact O-CD2 3.46Å; A164-S186 WeakPolarHBondContact CA-OG 3.27Å; A164-S186 WeakPolarHBondContact CB-OG 3.41Å; A164-M187 HydrophobicContact CB-CB 4Å; A164-M187 HydrophobicContact CB-CE 4.11Å
165L94.4Very high94.3Very high32 Ų3264.5 Ų64.517%0.16833%0.329CS..Hα-helixtrans-65.7-38.7178.7-63.4161.9000112Y118 I122 G161 A162 L163 L167 R168 F169Y118-L165 HydrophobicContact CD1-CD2 4.11Å; Y118-L165 HydrophobicContact CG-CD2 4.28Å; I122-L165 HydrophobicContact CD1-CD1 3.48Å; I122-L165 VanDerWaalsContact CD1-CD1 3.48Å; I122-L165 HydrophobicContact CD1-CD2 4.16Å; I122-L165 HydrophobicContact CD1-CG 4.45Å; G161-L165 WeakPolarHBondContact O-CD1 3.38Å; G161-L165 WeakPolarHBondContact O-CG 3.5Å; G161-L165 PolarHBondContact O-N 3.1Å; G161-L165 VanDerWaalsContact O-N 3.09Å; A162-L165 PolarHBondContact O-N 3.13Å; L163-L165 VanDerWaalsContact C-N 3.35Å; L163-L165 PolarHBondContact O-N 3.37Å; L165-L167 PolarHBondContact O-N 3.34Å; L165-R168 PolarHBondContact O-N 2.95Å; L165-F169 HydrophobicContact CB-CD2 4.37Å; L165-F169 HydrophobicContact CD2-CE2 4.07Å; L165-F169 WeakPolarHBondContact O-CB 3.35Å; L165-F169 VanDerWaalsContact O-CD2 3.24Å; L165-F169 WeakPolarHBondContact O-CD2 3.03Å; L165-F169 PolarHBondContact O-N 2.89Å
166M95.3Very high94.3Very high84 Ų8466.3 Ų66.341%0.41433%0.327SS..Hα-helixtrans-61-43.3173.3-67.9-64.899.300111.6A162 L163 A164 F169 Y170A162-M166 VanDerWaalsContact O-CG 3.29Å; A162-M166 WeakPolarHBondContact O-CG 3.33Å; A162-M166 PolarHBondContact O-N 3.41Å; L163-M166 PolarHBondContact O-N 2.69Å; A164-M166 PolarHBondContact O-N 3.49Å; M166-F169 PolarHBondContact O-N 3.46Å; M166-Y170 HydrophobicContact CE-CD2 3.9Å; M166-Y170 HydrophobicContact CE-CE2 3.52Å; M166-Y170 WeakPolarHBondContact O-CB 3.49Å; M166-Y170 PolarHBondContact O-N 3.12Å; M166-Y170 HydrophobicContact SD-CD2 3.87Å; M166-Y170 HydrophobicContact SD-CE2 3.93Å
167L95.3Very high94.1Very high19 Ų1964.4 Ų64.410%0.09932%0.315CS..Iπ-helixtrans-61-49.2177.6-68.6162.2000111.5L163 A164 L165 F169 F171 E172 V179 F182L163-L167 HydrophobicContact CD1-CD1 4.12Å; L163-L167 HydrophobicContact CD1-CG 4.19Å; L163-L167 HydrophobicContact CG-CD1 3.96Å; L163-L167 HydrophobicContact CG-CG 4.5Å; L163-L167 WeakPolarHBondContact O-CD1 2.91Å; L163-L167 VanDerWaalsContact O-CG 3.24Å; L163-L167 WeakPolarHBondContact O-CG 3.24Å; L163-L167 PolarHBondContact O-N 3.5Å; A164-L167 PolarHBondContact O-N 3.3Å; L165-L167 PolarHBondContact O-N 3.34Å; L167-F169 VanDerWaalsContact C-N 3.33Å; L167-F169 PolarHBondContact O-N 3.4Å; L167-F171 PolarHBondContact O-N 3.42Å; L167-E172 PolarHBondContact O-N 2.99Å; L167-V179 HydrophobicContact CB-CG1 3.98Å; L167-V179 HydrophobicContact CD2-CG1 3.98Å; L167-V179 WeakPolarHBondContact O-CG1 3.37Å; L167-F182 HydrophobicContact CD1-CB 4.48Å; L167-F182 HydrophobicContact CD1-CD1 3.39Å; L167-F182 HydrophobicContact CD1-CE1 3.88Å; L167-F182 HydrophobicContact CD1-CG 4.19Å; L167-F182 HydrophobicContact CD2-CD1 3.94Å; L167-F182 HydrophobicContact CG-CD1 4.33Å
168R92.5Very high94.1Very high31 Ų3171 Ų7112%0.11734%0.341CS..Iπ-helixtrans-65.2-29.1179.3176.357169.11573.1113.9A164 L165 E172 Y183A164-R168 PolarHBondContact O-N 3.03Å; L165-R168 PolarHBondContact O-N 2.95Å; R168-E172 WeakPolarHBondContact CD-OE1 3.41Å; R168-E172 IonicContact CZ-OE1 3.65Å; R168-E172 IonicContact CZ-OE2 2.84Å; R168-E172 IonicContact NE-OE1 2.68Å; R168-E172 IonicContact NH1-OE1 3.19Å; R168-E172 PolarHBondContact NH1-OE1 3.43Å; R168-E172 IonicContact NH1-OE2 3.43Å; R168-E172 PolarHBondContact NH1-OE2 3.47Å; R168-Y183 HydrophobicContact CB-CD2 3.77Å; R168-Y183 HydrophobicContact CB-CE2 3.65Å; R168-Y183 HydrophobicContact CB-CG 4.34Å; R168-Y183 HydrophobicContact CG-CE2 4.06Å
169F92.1Very high94.2Very high41 Ų4169.1 Ų69.118%0.1833%0.327CS..Iπ-helixtrans-109.6-21.4-172-74.1-54.2000116.5Y115 Y118 L165 M166 L167Y115-F169 HydrophobicContact CD1-CB 4.34Å; Y115-F169 AromaticContact CD1-CD1 3.46Å; Y115-F169 HydrophobicContact CD1-CD1 3.46Å; Y115-F169 VanDerWaalsContact CD1-CD1 3.46Å; Y115-F169 HydrophobicContact CD1-CD2 4.11Å; Y115-F169 AromaticContact CD1-CE1 3.65Å; Y115-F169 HydrophobicContact CD1-CE1 3.65Å; Y115-F169 HydrophobicContact CD1-CE2 4.27Å; Y115-F169 AromaticContact CD1-CG 3.73Å; Y115-F169 HydrophobicContact CD1-CG 3.73Å; Y115-F169 HydrophobicContact CD1-CZ 4.05Å; Y115-F169 HydrophobicContact CE1-CB 3.8Å; Y115-F169 AromaticContact CE1-CD1 3.39Å; Y115-F169 HydrophobicContact CE1-CD1 3.39Å; Y115-F169 HydrophobicContact CE1-CD2 4.42Å; Y115-F169 HydrophobicContact CE1-CE1 4.03Å; Y115-F169 AromaticContact CE1-CG 3.63Å; Y115-F169 HydrophobicContact CE1-CG 3.63Å; Y115-F169 HydrophobicContact CG-CD1 4.25Å; Y115-F169 HydrophobicContact CG-CE1 4.04Å; Y115-F169 HydrophobicContact CG-CZ 4.44Å; Y118-F169 HydrophobicContact CD2-CE2 4.28Å; Y118-F169 AromaticContact CD2-CZ 3.62Å; Y118-F169 HydrophobicContact CD2-CZ 3.62Å; Y118-F169 HydrophobicContact CE2-CZ 4.19Å; Y118-F169 HydrophobicContact CG-CE2 4.39Å; Y118-F169 HydrophobicContact CG-CZ 4.17Å; L165-F169 HydrophobicContact CB-CD2 4.37Å; L165-F169 HydrophobicContact CD2-CE2 4.07Å; L165-F169 WeakPolarHBondContact O-CB 3.35Å; L165-F169 VanDerWaalsContact O-CD2 3.24Å; L165-F169 WeakPolarHBondContact O-CD2 3.03Å; L165-F169 PolarHBondContact O-N 2.89Å; M166-F169 PolarHBondContact O-N 3.46Å; L167-F169 VanDerWaalsContact C-N 3.33Å; L167-F169 PolarHBondContact O-N 3.4Å
170Y92.6Very high94.1Very high146 Ų14665.3 Ų65.357%0.57330%0.3SS*.Iπ-helixtrans-125.4-20.6-174.1-66.1-93.9000114.3M166M166-Y170 HydrophobicContact CE-CD2 3.9Å; M166-Y170 HydrophobicContact CE-CE2 3.52Å; M166-Y170 WeakPolarHBondContact O-CB 3.49Å; M166-Y170 PolarHBondContact O-N 3.12Å; M166-Y170 HydrophobicContact SD-CD2 3.87Å; M166-Y170 HydrophobicContact SD-CE2 3.93Å
171F94.1Very high94.1Very high82 Ų8262.2 Ų62.236%0.3629%0.288SS..Iπ-helixtrans-119.7-6.4-175.6-63.8-78.2000113.7L167 E173 W174 V179L167-F171 PolarHBondContact O-N 3.42Å; F171-E173 PolarHBondContact O-N 2.75Å; F171-W174 HydrophobicContact CD1-CD2 4.01Å; F171-W174 AromaticContact CD1-CE2 3.66Å; F171-W174 HydrophobicContact CD1-CE3 4.46Å; F171-W174 HydrophobicContact CD1-CG 4.5Å; F171-W174 HydrophobicContact CD1-CH2 4.32Å; F171-W174 AromaticContact CD1-CZ2 3.84Å; F171-W174 HydrophobicContact CD1-CZ2 3.84Å; F171-W174 AromaticContact CD1-NE1 3.91Å; F171-W174 HydrophobicContact CE1-CH2 4.14Å; F171-W174 AromaticContact CE1-CZ2 3.79Å; F171-W174 HydrophobicContact CE1-CZ2 3.79Å; F171-W174 WeakPolarHBondContact O-CB 3.49Å; F171-W174 PolarHBondContact O-N 2.91Å; F171-V179 HydrophobicContact CB-CG1 4.06Å
172E91.3Very high94.1Very high35 Ų3566.1 Ų66.116%0.16430%0.301CS..THydrogen-bonded Turntrans-58.8-34-172.1-173.1161.8-103.200113.4L167 R168 W174 Y176 H180L167-E172 PolarHBondContact O-N 2.99Å; R168-E172 WeakPolarHBondContact CD-OE1 3.41Å; R168-E172 IonicContact CZ-OE1 3.65Å; R168-E172 IonicContact CZ-OE2 2.84Å; R168-E172 IonicContact NE-OE1 2.68Å; R168-E172 IonicContact NH1-OE1 3.19Å; R168-E172 PolarHBondContact NH1-OE1 3.43Å; R168-E172 IonicContact NH1-OE2 3.43Å; R168-E172 PolarHBondContact NH1-OE2 3.47Å; E172-W174 VanDerWaalsContact C-N 3.29Å; E172-W174 PolarHBondContact O-N 2.85Å; E172-Y176 HydrophobicContact CG-CD2 3.77Å; E172-Y176 HydrophobicContact CG-CE2 4.35Å; E172-Y176 VanDerWaalsContact O-CA 3.3Å; E172-Y176 WeakPolarHBondContact O-CA 3.36Å; E172-Y176 PolarHBondContact O-N 3.19Å; E172-H180 IonicContact OE1-CE1 2.71Å; E172-H180 PolarHBondContact OE1-CE1 3.5Å; E172-H180 IonicContact OE1-CG 3.68Å; E172-H180 IonicContact OE1-ND1 3.88Å; E172-H180 PolarHBondContact OE1-ND1 2.02Å
173E89.8Confident94.2Very high194 Ų19463.9 Ų63.991%0.90728%0.282SS*.THydrogen-bonded Turntrans-69.2-20177.4-59.9-177.516800114F171F171-E173 PolarHBondContact O-N 2.75Å
174W89.7Confident94.2Very high202 Ų20260.9 Ų60.977%0.76527%0.266SS*.THydrogen-bonded Turntrans-70-50.7-172.7-71.736.7000111.9F171 E172F171-W174 HydrophobicContact CD1-CD2 4.01Å; F171-W174 AromaticContact CD1-CE2 3.66Å; F171-W174 HydrophobicContact CD1-CE3 4.46Å; F171-W174 HydrophobicContact CD1-CG 4.5Å; F171-W174 HydrophobicContact CD1-CH2 4.32Å; F171-W174 AromaticContact CD1-CZ2 3.84Å; F171-W174 HydrophobicContact CD1-CZ2 3.84Å; F171-W174 AromaticContact CD1-NE1 3.91Å; F171-W174 HydrophobicContact CE1-CH2 4.14Å; F171-W174 AromaticContact CE1-CZ2 3.79Å; F171-W174 HydrophobicContact CE1-CZ2 3.79Å; F171-W174 WeakPolarHBondContact O-CB 3.49Å; F171-W174 PolarHBondContact O-N 2.91Å; E172-W174 VanDerWaalsContact C-N 3.29Å; E172-W174 PolarHBondContact O-N 2.85Å
175D92.8Very high94.2Very high53 Ų5364.7 Ų64.728%0.28329%0.286SS..  trans-158.279.7171.5-162.9-30000109.8K7 A177 Y178 V179K7-D175 WeakPolarHBondContact CE-OD1 3.26Å; K7-D175 IonicContact NZ-OD1 2.68Å; K7-D175 PolarHBondContact NZ-OD1 3.27Å; K7-D175 IonicContact NZ-OD2 3.84Å; K7-D175 PolarHBondContact NZ-OD2 3.11Å; D175-A177 PolarHBondContact O-N 3.05Å; D175-Y178 HydrophobicContact CB-CD2 4.48Å; D175-Y178 PolarHBondContact O-N 2.89Å; D175-V179 WeakPolarHBondContact O-CG2 3.34Å; D175-V179 PolarHBondContact O-N 2.99Å
176Y92.3Very high94.4Very high71 Ų7163.2 Ų63.228%0.27828%0.278SS..Hα-helixtrans-38.4-48.9-176.3175.1-111.3000113.9P11 H48 E172 Y178 V179 H180P11-Y176 HydrophobicContact CG-CE1 4.49Å; H48-Y176 PolarHBondContact CE1-OH 3.42Å; H48-Y176 VanDerWaalsContact CE1-OH 3.3Å; E172-Y176 HydrophobicContact CG-CD2 3.77Å; E172-Y176 HydrophobicContact CG-CE2 4.35Å; E172-Y176 VanDerWaalsContact O-CA 3.3Å; E172-Y176 WeakPolarHBondContact O-CA 3.36Å; E172-Y176 PolarHBondContact O-N 3.19Å; Y176-Y178 VanDerWaalsContact C-N 3.35Å; Y176-Y178 PolarHBondContact O-N 3.38Å; Y176-V179 PolarHBondContact O-N 3.43Å; Y176-H180 HydrophobicContact CD2-CB 4.02Å; Y176-H180 HydrophobicContact CE2-CB 3.9Å; Y176-H180 AromaticContact CE2-CG 3.76Å; Y176-H180 AromaticContact CE2-ND1 3.62Å; Y176-H180 WeakPolarHBondContact O-CB 3.29Å; Y176-H180 PolarHBondContact O-N 2.93Å
177A93.3Very high94.5Very high4 Ų459.4 Ų59.43%0.03326%0.26CS..Hα-helixtrans-59.2-42.3-17700000113.1K7 D175 S181K7-A177 HydrophobicContact CD-CB 4.29Å; K7-A177 HydrophobicContact CG-CB 3.5Å; K7-A177 WeakPolarHBondContact O-CB 3.49Å; D175-A177 PolarHBondContact O-N 3.05Å; A177-S181 VanDerWaalsContact O-CB 3.24Å; A177-S181 WeakPolarHBondContact O-CB 3.28Å; A177-S181 PolarHBondContact O-OG 3.49Å
178Y95.1Very high94.6Very high140 Ų14058.8 Ų58.855%0.54926%0.257SS..Hα-helixtrans-84-41.9178.5-70-79.9000112.1K7 L10 D175 Y176 S181 F182K7-Y178 HydrophobicContact CD-CE2 4.17Å; K7-Y178 HydrophobicContact CG-CE2 4.34Å; L10-Y178 HydrophobicContact CD2-CD1 3.47Å; L10-Y178 VanDerWaalsContact CD2-CD1 3.47Å; L10-Y178 HydrophobicContact CD2-CE1 3.65Å; L10-Y178 HydrophobicContact CD2-CG 4.1Å; D175-Y178 HydrophobicContact CB-CD2 4.48Å; D175-Y178 PolarHBondContact O-N 2.89Å; Y176-Y178 VanDerWaalsContact C-N 3.35Å; Y176-Y178 PolarHBondContact O-N 3.38Å; Y178-S181 PolarHBondContact O-N 3.44Å; Y178-F182 WeakPolarHBondContact O-CB 3.32Å; Y178-F182 PolarHBondContact O-N 3.12Å
179V96.8Very high94.9Very high21 Ų2159.6 Ų59.613%0.12727%0.265CS..Hα-helixtrans-67.9-46.9-177177.50000111.2L167 F171 D175 Y176 S181 F182 Y183L167-V179 HydrophobicContact CB-CG1 3.98Å; L167-V179 HydrophobicContact CD2-CG1 3.98Å; L167-V179 WeakPolarHBondContact O-CG1 3.37Å; F171-V179 HydrophobicContact CB-CG1 4.06Å; D175-V179 WeakPolarHBondContact O-CG2 3.34Å; D175-V179 PolarHBondContact O-N 2.99Å; Y176-V179 PolarHBondContact O-N 3.43Å; V179-S181 VanDerWaalsContact C-N 3.29Å; V179-S181 PolarHBondContact O-N 3.08Å; V179-F182 PolarHBondContact O-N 3.47Å; V179-Y183 WeakPolarHBondContact O-CB 3.42Å; V179-Y183 PolarHBondContact O-N 3.32Å
180H95.6Very high95.1Very high9 Ų957.9 Ų57.94%0.04226%0.259CS..Hα-helixtrans-65.8-33.7177.1-154.587.4000111.7H48 E172 Y176 Y183 H184H48-H180 AromaticContact CE1-CD2 3.53Å; H48-H180 AromaticContact CE1-NE2 3.49Å; H48-H180 PolarHBondContact CE1-NE2 2.98Å; H48-H180 AromaticContact NE2-CD2 3.54Å; H48-H180 AromaticContact NE2-NE2 3.46Å; H48-H180 PolarHBondContact NE2-NE2 3.21Å; E172-H180 IonicContact OE1-CE1 2.71Å; E172-H180 PolarHBondContact OE1-CE1 3.5Å; E172-H180 IonicContact OE1-CG 3.68Å; E172-H180 IonicContact OE1-ND1 3.88Å; E172-H180 PolarHBondContact OE1-ND1 2.02Å; Y176-H180 HydrophobicContact CD2-CB 4.02Å; Y176-H180 HydrophobicContact CE2-CB 3.9Å; Y176-H180 AromaticContact CE2-CG 3.76Å; Y176-H180 AromaticContact CE2-ND1 3.62Å; Y176-H180 WeakPolarHBondContact O-CB 3.29Å; Y176-H180 PolarHBondContact O-N 2.93Å; H180-Y183 AromaticContact CE1-CD1 3.96Å; H180-Y183 AromaticContact CE1-CE1 3.88Å; H180-Y183 WeakPolarHBondContact O-CB 3.17Å; H180-Y183 PolarHBondContact O-N 3.19Å; H180-H184 AromaticContact CD2-CE1 3.59Å; H180-H184 AromaticContact CD2-NE2 3.55Å; H180-H184 AromaticContact NE2-CE1 3.96Å; H180-H184 AromaticContact NE2-NE2 3.54Å; H180-H184 PolarHBondContact O-N 3.16Å
181S96.9Very high95.3Very high12 Ų1251.1 Ų51.18%0.08423%0.232CC..Hα-helixtrans-69.5-36173.9-63.30000113.4L10 P11 S14 A177 Y178 V179 H184 L185L10-S181 WeakPolarHBondContact CG-OG 3.36Å; L10-S181 PolarHBondContact O-OG 3.16Å; L10-S181 VanDerWaalsContact O-OG 3.11Å; P11-S181 WeakPolarHBondContact CA-OG 3.38Å; S14-S181 VanDerWaalsContact OG-CA 3.31Å; S14-S181 WeakPolarHBondContact OG-CA 3.47Å; S14-S181 WeakPolarHBondContact OG-CB 3.37Å; S14-S181 PolarHBondContact OG-OG 2.89Å; A177-S181 VanDerWaalsContact O-CB 3.24Å; A177-S181 WeakPolarHBondContact O-CB 3.28Å; A177-S181 PolarHBondContact O-OG 3.49Å; Y178-S181 PolarHBondContact O-N 3.44Å; V179-S181 VanDerWaalsContact C-N 3.29Å; V179-S181 PolarHBondContact O-N 3.08Å; S181-H184 PolarHBondContact O-N 3.47Å; S181-L185 PolarHBondContact O-N 3.36Å
182F97Very high95.5Very high96 Ų9649.2 Ų49.242%0.42123%0.227SC..Hα-helixtrans-75.6-28.8174.4-171.1-125.5000112.1L163 L167 Y178 V179 L185 S186L163-F182 HydrophobicContact CD2-CE1 4.09Å; L163-F182 HydrophobicContact CD2-CZ 4.22Å; L167-F182 HydrophobicContact CD1-CB 4.48Å; L167-F182 HydrophobicContact CD1-CD1 3.39Å; L167-F182 HydrophobicContact CD1-CE1 3.88Å; L167-F182 HydrophobicContact CD1-CG 4.19Å; L167-F182 HydrophobicContact CD2-CD1 3.94Å; L167-F182 HydrophobicContact CG-CD1 4.33Å; Y178-F182 WeakPolarHBondContact O-CB 3.32Å; Y178-F182 PolarHBondContact O-N 3.12Å; V179-F182 PolarHBondContact O-N 3.47Å; F182-L185 HydrophobicContact CD2-CD2 4.24Å; F182-L185 HydrophobicContact CE2-CD2 4.4Å; F182-L185 PolarHBondContact O-N 3.23Å; F182-S186 WeakPolarHBondContact O-CB 3Å; F182-S186 PolarHBondContact O-N 3.42Å; F182-S186 PolarHBondContact O-OG 3.27Å
183Y97.3Very high95.7Very high5 Ų549.8 Ų49.82%0.0223%0.231CC..Hα-helixtrans-58.9-49166.5156.3-107.8000111.8A164 R168 V179 H180 L185 S186 M187A164-Y183 HydrophobicContact CB-CD2 3.92Å; A164-Y183 HydrophobicContact CB-CE2 4.4Å; A164-Y183 VanDerWaalsContact O-CD2 3.23Å; A164-Y183 WeakPolarHBondContact O-CD2 3.46Å; R168-Y183 HydrophobicContact CB-CD2 3.77Å; R168-Y183 HydrophobicContact CB-CE2 3.65Å; R168-Y183 HydrophobicContact CB-CG 4.34Å; R168-Y183 HydrophobicContact CG-CE2 4.06Å; V179-Y183 WeakPolarHBondContact O-CB 3.42Å; V179-Y183 PolarHBondContact O-N 3.32Å; H180-Y183 AromaticContact CE1-CD1 3.96Å; H180-Y183 AromaticContact CE1-CE1 3.88Å; H180-Y183 WeakPolarHBondContact O-CB 3.17Å; H180-Y183 PolarHBondContact O-N 3.19Å; Y183-L185 PolarHBondContact O-N 2.94Å; Y183-S186 WeakPolarHBondContact CA-OG 3.24Å; Y183-S186 PolarHBondContact O-N 3.36Å; Y183-S186 PolarHBondContact O-OG 2.97Å; Y183-S186 VanDerWaalsContact O-OG 3.12Å; Y183-M187 HydrophobicContact CD2-CE 4.24Å; Y183-M187 HydrophobicContact CE2-CE 3.38Å; Y183-M187 HydrophobicContact CE2-SD 4.22Å; Y183-M187 VanDerWaalsContact O-CB 3.23Å; Y183-M187 WeakPolarHBondContact O-CB 3.43Å; Y183-M187 PolarHBondContact O-N 3.08Å
184H97.4Very high96Very high2 Ų241.1 Ų41.11%0.00919%0.191CC..Hα-helixtrans-56.1-47.8173.8-69161.4000112.6S14 S15 V17 T44 H48 H180 S181 M187 A188S14-H184 PolarHBondContact OG-ND1 3.16Å; S15-H184 PolarHBondContact OG-CE1 3.22Å; V17-H184 HydrophobicContact CG2-CB 4.05Å; V17-H184 WeakPolarHBondContact CG2-O 3.31Å; T44-H184 WeakPolarHBondContact CG2-NE2 3.44Å; H48-H184 AromaticContact CD2-CE1 3.82Å; H48-H184 AromaticContact NE2-CE1 3.42Å; H48-H184 PolarHBondContact NE2-CE1 3.42Å; H48-H184 AromaticContact NE2-NE2 3.85Å; H180-H184 AromaticContact CD2-CE1 3.59Å; H180-H184 AromaticContact CD2-NE2 3.55Å; H180-H184 AromaticContact NE2-CE1 3.96Å; H180-H184 AromaticContact NE2-NE2 3.54Å; H180-H184 PolarHBondContact O-N 3.16Å; S181-H184 PolarHBondContact O-N 3.47Å; H184-M187 PolarHBondContact O-N 2.71Å; H184-A188 WeakPolarHBondContact O-CB 3.35Å; H184-A188 PolarHBondContact O-N 3Å
185L97.7Very high96.2Very high79 Ų7931.5 Ų31.541%0.41416%0.155SC..Hα-helixtrans-63.1-49.8-179.9179.460.8000112.1V17 S181 F182 Y183 M187 A188 V189V17-L185 HydrophobicContact CG1-CD1 4.24Å; S181-L185 PolarHBondContact O-N 3.36Å; F182-L185 HydrophobicContact CD2-CD2 4.24Å; F182-L185 HydrophobicContact CE2-CD2 4.4Å; F182-L185 PolarHBondContact O-N 3.23Å; Y183-L185 PolarHBondContact O-N 2.94Å; L185-M187 VanDerWaalsContact C-N 3.33Å; L185-M187 PolarHBondContact O-N 3.48Å; L185-A188 PolarHBondContact O-N 3.16Å; L185-V189 HydrophobicContact CD1-CG2 4.34Å; L185-V189 WeakPolarHBondContact O-CB 3.5Å; L185-V189 VanDerWaalsContact O-CG2 3.28Å; L185-V189 WeakPolarHBondContact O-CG2 3.45Å; L185-V189 PolarHBondContact O-N 3.03Å
186S97.8Very high96.1Very high1 Ų130 Ų301%0.00715%0.148CC..Hα-helixtrans-64.4-37179.552.10000112.2A164 F182 Y183 S190A164-S186 WeakPolarHBondContact CA-OG 3.27Å; A164-S186 WeakPolarHBondContact CB-OG 3.41Å; F182-S186 WeakPolarHBondContact O-CB 3Å; F182-S186 PolarHBondContact O-N 3.42Å; F182-S186 PolarHBondContact O-OG 3.27Å; Y183-S186 WeakPolarHBondContact CA-OG 3.24Å; Y183-S186 PolarHBondContact O-N 3.36Å; Y183-S186 PolarHBondContact O-OG 2.97Å; Y183-S186 VanDerWaalsContact O-OG 3.12Å; S186-S190 WeakPolarHBondContact O-CB 3.38Å; S186-S190 PolarHBondContact O-N 3.05Å
187M97.3Very high95.9Very high4 Ų432.8 Ų32.82%0.0216%0.161CC..Hα-helixtrans-67.8-45.5175.3-172.9163.6-75.200112.8F18 T74 I78 A164 Y183 H184 L185 V189 S190 F191F18-M187 HydrophobicContact CE1-CB 4.48Å; F18-M187 HydrophobicContact CE1-CG 4.3Å; T74-M187 HydrophobicContact CG2-CE 4.23Å; T74-M187 HydrophobicContact CG2-SD 3.39Å; T74-M187 WeakPolarHBondContact CG2-SD 3.39Å; I78-M187 HydrophobicContact CD1-CE 3.8Å; I78-M187 HydrophobicContact CD1-SD 4.22Å; I78-M187 HydrophobicContact CG1-CE 4.34Å; I78-M187 HydrophobicContact CG1-SD 4.36Å; A164-M187 HydrophobicContact CB-CB 4Å; A164-M187 HydrophobicContact CB-CE 4.11Å; Y183-M187 HydrophobicContact CD2-CE 4.24Å; Y183-M187 HydrophobicContact CE2-CE 3.38Å; Y183-M187 HydrophobicContact CE2-SD 4.22Å; Y183-M187 VanDerWaalsContact O-CB 3.23Å; Y183-M187 WeakPolarHBondContact O-CB 3.43Å; Y183-M187 PolarHBondContact O-N 3.08Å; H184-M187 PolarHBondContact O-N 2.71Å; L185-M187 VanDerWaalsContact C-N 3.33Å; L185-M187 PolarHBondContact O-N 3.48Å; M187-V189 VanDerWaalsContact C-N 3.32Å; M187-V189 PolarHBondContact O-N 3.03Å; M187-S190 WeakPolarHBondContact O-CA 3.32Å; M187-S190 VanDerWaalsContact O-CB 3.3Å; M187-S190 WeakPolarHBondContact O-CB 3.24Å; M187-S190 PolarHBondContact O-N 3.43Å; M187-S190 VanDerWaalsContact O-N 3.13Å; M187-F191 HydrophobicContact CG-CD1 4.43Å; M187-F191 HydrophobicContact CG-CD2 4.5Å; M187-F191 HydrophobicContact CG-CE1 3.73Å; M187-F191 HydrophobicContact CG-CE2 3.82Å; M187-F191 HydrophobicContact CG-CZ 3.38Å; M187-F191 WeakPolarHBondContact O-CG 3.32Å; M187-F191 PolarHBondContact O-N 3.42Å; M187-F191 HydrophobicContact SD-CE1 4.36Å; M187-F191 HydrophobicContact SD-CE2 4.36Å; M187-F191 HydrophobicContact SD-CZ 3.7Å
188A97.8Very high95.2Very high6 Ų641.1 Ų41.15%0.0520%0.197CC..Hα-helixtrans-64.9-36.5176.600000112.4V17 F18 H184 L185 F191 V192V17-A188 HydrophobicContact CB-CB 4.25Å; V17-A188 HydrophobicContact CG2-CB 3.74Å; F18-A188 HydrophobicContact CD1-CB 3.84Å; F18-A188 HydrophobicContact CE1-CB 3.99Å; H184-A188 WeakPolarHBondContact O-CB 3.35Å; H184-A188 PolarHBondContact O-N 3Å; L185-A188 PolarHBondContact O-N 3.16Å; A188-F191 PolarHBondContact O-N 3.4Å; A188-V192 WeakPolarHBondContact O-CB 3.34Å; A188-V192 WeakPolarHBondContact O-CG2 3.3Å; A188-V192 PolarHBondContact O-N 3.43Å
189V97.8Very high94.4Very high48 Ų4835.7 Ų35.729%0.29118%0.177SC..Hα-helixtrans-62.6-42.6170.8169.30000110.8F160 L185 M187 F191 V192 L193F160-V189 HydrophobicContact CB-CG1 4.31Å; F160-V189 HydrophobicContact CD1-CG1 4.04Å; F160-V189 HydrophobicContact CD2-CG1 3.61Å; F160-V189 HydrophobicContact CE1-CG1 4.25Å; F160-V189 HydrophobicContact CE2-CG1 3.84Å; F160-V189 HydrophobicContact CG-CB 4.45Å; F160-V189 HydrophobicContact CG-CG1 3.72Å; F160-V189 HydrophobicContact CZ-CG1 4.16Å; L185-V189 HydrophobicContact CD1-CG2 4.34Å; L185-V189 WeakPolarHBondContact O-CB 3.5Å; L185-V189 VanDerWaalsContact O-CG2 3.28Å; L185-V189 WeakPolarHBondContact O-CG2 3.45Å; L185-V189 PolarHBondContact O-N 3.03Å; M187-V189 VanDerWaalsContact C-N 3.32Å; M187-V189 PolarHBondContact O-N 3.03Å; V189-F191 PolarHBondContact O-N 3.39Å; V189-V192 PolarHBondContact O-N 2.83Å; V189-L193 HydrophobicContact CG1-CD1 3.71Å; V189-L193 HydrophobicContact CG1-CG 4.36Å; V189-L193 WeakPolarHBondContact O-CB 3.46Å; V189-L193 VanDerWaalsContact O-CG 3.27Å; V189-L193 WeakPolarHBondContact O-CG 3.06Å; V189-L193 PolarHBondContact O-N 3.32Å
190S97.5Very high93.3Very high5 Ų542.5 Ų42.54%0.03520%0.201CC..Hα-helixtrans-57.6-48173.7-173.40000111.8G157 G161 S186 M187 V192 L193 L194G157-S190 WeakPolarHBondContact O-CB 3.45Å; G157-S190 PolarHBondContact O-OG 2.64Å; G161-S190 WeakPolarHBondContact CA-OG 3.31Å; G161-S190 PolarHBondContact N-OG 3.25Å; S186-S190 WeakPolarHBondContact O-CB 3.38Å; S186-S190 PolarHBondContact O-N 3.05Å; M187-S190 WeakPolarHBondContact O-CA 3.32Å; M187-S190 VanDerWaalsContact O-CB 3.3Å; M187-S190 WeakPolarHBondContact O-CB 3.24Å; M187-S190 PolarHBondContact O-N 3.43Å; M187-S190 VanDerWaalsContact O-N 3.13Å; S190-V192 PolarHBondContact O-N 3.45Å; S190-L193 PolarHBondContact O-N 3.15Å; S190-L194 WeakPolarHBondContact O-CB 3.47Å; S190-L194 WeakPolarHBondContact O-CG 3.37Å; S190-L194 PolarHBondContact O-N 3.11Å
191F97Very high92Very high5 Ų545.9 Ų45.92%0.02221%0.213CC..Hα-helixtrans-61-45.4177-60.5-18.5000112.6F18 Y37 I78 T81 M187 A188 V189 L193 L195F18-F191 HydrophobicContact CD1-CD2 4.22Å; F18-F191 HydrophobicContact CD1-CE2 4.12Å; F18-F191 HydrophobicContact CE1-CD2 4.09Å; F18-F191 AromaticContact CE1-CE2 3.67Å; F18-F191 HydrophobicContact CE1-CE2 3.67Å; Y37-F191 HydrophobicContact CD1-CD2 4.1Å; Y37-F191 HydrophobicContact CD1-CE2 4.42Å; Y37-F191 HydrophobicContact CE1-CB 4.47Å; Y37-F191 HydrophobicContact CE1-CD2 4Å; Y37-F191 HydrophobicContact CE1-CE2 4.47Å; Y37-F191 HydrophobicContact CE1-CG 4.24Å; Y37-F191 HydrophobicContact CE2-CB 4.34Å; I78-F191 HydrophobicContact CB-CE1 4.43Å; I78-F191 HydrophobicContact CG1-CE1 3.71Å; I78-F191 HydrophobicContact CG1-CZ 3.86Å; T81-F191 HydrophobicContact CG2-CD1 4.19Å; T81-F191 WeakPolarHBondContact OG1-CD1 3.3Å; M187-F191 HydrophobicContact CG-CD1 4.43Å; M187-F191 HydrophobicContact CG-CD2 4.5Å; M187-F191 HydrophobicContact CG-CE1 3.73Å; M187-F191 HydrophobicContact CG-CE2 3.82Å; M187-F191 HydrophobicContact CG-CZ 3.38Å; M187-F191 WeakPolarHBondContact O-CG 3.32Å; M187-F191 PolarHBondContact O-N 3.42Å; M187-F191 HydrophobicContact SD-CE1 4.36Å; M187-F191 HydrophobicContact SD-CE2 4.36Å; M187-F191 HydrophobicContact SD-CZ 3.7Å; A188-F191 PolarHBondContact O-N 3.4Å; V189-F191 PolarHBondContact O-N 3.39Å; F191-L193 VanDerWaalsContact C-N 3.28Å; F191-L193 PolarHBondContact O-N 2.94Å; F191-L195 VanDerWaalsContact O-CB 3.23Å; F191-L195 WeakPolarHBondContact O-CB 3.08Å; F191-L195 PolarHBondContact O-N 2.96Å; F191-L195 VanDerWaalsContact O-N 3.12Å
192V96.7Very high90.5Very high42 Ų4246.9 Ų46.926%0.25522%0.222SC..Hα-helixtrans-64.3-31.5179165.40000112.6A21 V24 R28 A188 V189 S190A21-V192 HydrophobicContact CB-CG2 3.84Å; V24-V192 HydrophobicContact CB-CG2 4.42Å; V24-V192 HydrophobicContact CG1-CG1 4.33Å; R28-V192 PolarHBondContact NH1-O 2.88Å; R28-V192 PolarHBondContact NH2-O 3.04Å; A188-V192 WeakPolarHBondContact O-CB 3.34Å; A188-V192 WeakPolarHBondContact O-CG2 3.3Å; A188-V192 PolarHBondContact O-N 3.43Å; V189-V192 PolarHBondContact O-N 2.83Å; S190-V192 PolarHBondContact O-N 3.45Å
193L96.4Very high88.5Confident47 Ų4745.7 Ų45.725%0.24624%0.238CC..Hα-helixtrans-77.9-59.2174.4-70.7169.2000111.2Q153 P156 F160 V189 S190 F191 L195Q153-L193 WeakPolarHBondContact CG-O 3.45Å; P156-L193 HydrophobicContact CB-CD1 4.08Å; F160-L193 HydrophobicContact CD2-CD1 3.63Å; F160-L193 HydrophobicContact CE2-CD1 4.14Å; V189-L193 HydrophobicContact CG1-CD1 3.71Å; V189-L193 HydrophobicContact CG1-CG 4.36Å; V189-L193 WeakPolarHBondContact O-CB 3.46Å; V189-L193 VanDerWaalsContact O-CG 3.27Å; V189-L193 WeakPolarHBondContact O-CG 3.06Å; V189-L193 PolarHBondContact O-N 3.32Å; S190-L193 PolarHBondContact O-N 3.15Å; F191-L193 VanDerWaalsContact C-N 3.28Å; F191-L193 PolarHBondContact O-N 2.94Å; L193-L195 VanDerWaalsContact C-N 3.31Å; L193-L195 PolarHBondContact O-N 3.22Å
194L95.5Very high86.2Confident11 Ų1151.7 Ų51.76%0.05828%0.275CS..Hα-helixtrans-59.4-37.4-172.9-68.9176.7000113.2T81 L82 L85 Q153 S190T81-L194 HydrophobicContact CG2-CB 3.56Å; T81-L194 HydrophobicContact CG2-CD1 4.1Å; T81-L194 HydrophobicContact CG2-CG 4.47Å; L82-L194 HydrophobicContact CD2-CD1 4.33Å; L85-L194 HydrophobicContact CD2-CD2 4.08Å; Q153-L194 PolarHBondContact NE2-O 3.25Å; S190-L194 WeakPolarHBondContact O-CB 3.47Å; S190-L194 WeakPolarHBondContact O-CG 3.37Å; S190-L194 PolarHBondContact O-N 3.11Å
195L94.3Very high84Confident1 Ų159.5 Ų59.51%0.00532%0.317CS..SBendtrans-60.3125.7-179.5-17171.9000112A25 R28 F30 E33 A84 F191 L193A25-L195 HydrophobicContact CB-CD2 3.61Å; R28-L195 PolarHBondContact NH1-O 2.93Å; F30-L195 HydrophobicContact CB-CD1 4.16Å; F30-L195 HydrophobicContact CB-CD2 4.08Å; F30-L195 HydrophobicContact CD1-CD1 3.79Å; F30-L195 HydrophobicContact CD2-CD1 4.04Å; F30-L195 HydrophobicContact CD2-CD2 4.04Å; F30-L195 HydrophobicContact CD2-CG 3.94Å; F30-L195 HydrophobicContact CE1-CD1 4.15Å; F30-L195 HydrophobicContact CE2-CD1 4.37Å; F30-L195 HydrophobicContact CE2-CG 4.25Å; F30-L195 HydrophobicContact CG-CD1 3.74Å; F30-L195 HydrophobicContact CG-CD2 4.15Å; F30-L195 HydrophobicContact CG-CG 4.12Å; F30-L195 HydrophobicContact CZ-CD1 4.43Å; E33-L195 HydrophobicContact CB-CD1 4.49Å; E33-L195 HydrophobicContact CG-CD1 4.24Å; A84-L195 HydrophobicContact CB-CD1 3.75Å; F191-L195 VanDerWaalsContact O-CB 3.23Å; F191-L195 WeakPolarHBondContact O-CB 3.08Å; F191-L195 PolarHBondContact O-N 2.96Å; F191-L195 VanDerWaalsContact O-N 3.12Å; L193-L195 VanDerWaalsContact C-N 3.31Å; L193-L195 PolarHBondContact O-N 3.22Å
196P91.6Very high81.6Confident22 Ų2258.5 Ų58.514%0.14333%0.326CS..  trans-55.6144.1-177.5-26.734.6000114.6R28 F30 A84 K198R28-P196 WeakPolarHBondContact CD-O 3.35Å; F30-P196 HydrophobicContact CE2-CB 4.27Å; F30-P196 VanDerWaalsContact CE2-O 3.25Å; F30-P196 WeakPolarHBondContact CE2-O 3.49Å; F30-P196 HydrophobicContact CZ-CB 3.94Å; F30-P196 HydrophobicContact CZ-CG 4.05Å; A84-P196 WeakPolarHBondContact O-CG 3.37Å; P196-K198 PolarHBondContact O-N 2.9Å
197K86.8Confident79Confident129 Ų12965.8 Ų65.856%0.56137%0.365SS*.SBendtrans-68.5-14.1-178-66.1-177.6-177.8177.90115
198K78.2Confident76.7Confident179 Ų17970.9 Ų70.978%0.77840%0.398SS*.SBendtrans-141.2126.4175.2-64.4-174.2176.7-172.50108.9P196P196-K198 PolarHBondContact O-N 2.9Å
199N79.3Confident74.2Confident25 Ų2575 Ų7513%0.13443%0.432CS..  trans-81.6123.7164.2-173.55.6000108.9R28 G29 F30 R93 Y201 A202R28-N199 VanDerWaalsContact O-CB 3.28Å; R28-N199 WeakPolarHBondContact O-CB 3.47Å; R28-N199 PolarHBondContact O-N 2.92Å; G29-N199 PolarHBondContact O-ND2 2.87Å; F30-N199 HydrophobicContact CD1-CB 4.37Å; F30-N199 HydrophobicContact CD2-CB 3.86Å; F30-N199 HydrophobicContact CE1-CB 4.07Å; F30-N199 HydrophobicContact CE2-CB 3.53Å; F30-N199 HydrophobicContact CG-CB 4.28Å; F30-N199 HydrophobicContact CZ-CB 3.64Å; R93-N199 PolarHBondContact NH1-OD1 3.33Å; N199-Y201 VanDerWaalsContact C-N 3.27Å; N199-Y201 WeakPolarHBondContact OD1-CB 3.34Å; N199-Y201 WeakPolarHBondContact OD1-CD2 3.29Å; N199-Y201 PolarHBondContact OD1-N 3.07Å; N199-A202 HydrophobicContact CB-CB 3.9Å; N199-A202 VanDerWaalsContact CG-N 3.33Å; N199-A202 PolarHBondContact ND2-N 3.15Å
200R73.4Confident71.2Confident164 Ų16482.3 Ų82.362%0.61946%0.46SS*.THydrogen-bonded Turntrans-77.8-15.4172.8-56.7-162.1-153.298.714.6113.3D87D87-R200 IonicContact OD1-CZ 3.85Å; D87-R200 VanDerWaalsContact OD1-CZ 3.31Å; D87-R200 IonicContact OD1-NH1 2.75Å; D87-R200 PolarHBondContact OD1-NH1 3.09Å; D87-R200 IonicContact OD1-NH2 2.66Å; D87-R200 PolarHBondContact OD1-NH2 3.29Å; D87-R200 IonicContact OD2-CZ 3.87Å; D87-R200 IonicContact OD2-NH1 2.69Å; D87-R200 PolarHBondContact OD2-NH1 2.84Å; D87-R200 IonicContact OD2-NH2 3.41Å; D87-R200 PolarHBondContact OD2-NH2 3.31Å
201Y68.6Low68.7Low80 Ų8088.5 Ų88.531%0.31449%0.492SS..THydrogen-bonded Turntrans-104.23.8-177.6-46.4-82.9000112.3F88 D89 N199F88-Y201 PolarHBondContact O-OH 3.44Å; D89-Y201 WeakPolarHBondContact CA-OH 3.41Å; D89-Y201 PolarHBondContact OD1-OH 3.47Å; N199-Y201 VanDerWaalsContact C-N 3.27Å; N199-Y201 WeakPolarHBondContact OD1-CB 3.34Å; N199-Y201 WeakPolarHBondContact OD1-CD2 3.29Å; N199-Y201 PolarHBondContact OD1-N 3.07Å
202A64.3Low66.1Low33 Ų3391.3 Ų91.327%0.27351%0.512SS..SBendtrans-71.1136.516300000107.9N199 T204N199-A202 HydrophobicContact CB-CB 3.9Å; N199-A202 VanDerWaalsContact CG-N 3.33Å; N199-A202 PolarHBondContact ND2-N 3.15Å; A202-T204 PolarHBondContact O-N 3.33Å
203G56.2Low63.5Low72 Ų7293.7 Ų93.774%0.74253%0.53SS*.PPolyproline II helixtrans-57.7140.2170.300000109.9
204T48.9Very low61.1Low131 Ų131100.7 Ų100.780%0.80455%0.554SS**PPolyproline II helixtrans-54.8150.9171.3-37.20000109.9A202 G206A202-T204 PolarHBondContact O-N 3.33Å; T204-G206 PolarHBondContact O-N 2.99Å
205D51.2Low59Low165 Ų165104 Ų10488%0.88258%0.575SS**SBendtrans-64.422.7-164.7-47.8-94.3000117.3
206G47.2Very low56.6Low59 Ų59110.9 Ų110.961%0.60861%0.611SS**SBendtrans-60.2155.6156.600000111.2T204T204-G206 PolarHBondContact O-N 2.99Å
207N42.2Very low54.3Low153 Ų153116.1 Ų116.182%0.81864%0.637SS**PPolyproline II helixtrans-46.4140.1-177.7-78.3-63.4000112.4A209N207-A209 PolarHBondContact O-N 3.48Å
208P48.9Very low52.2Low112 Ų112115 Ų11573%0.72764%0.644SS**PPolyproline II helixtrans-52.7130.9176.424-34.3000109K210P208-K210 PolarHBondContact O-N 3.35Å
209A46.4Very low50.2Low91 Ų91112.1 Ų112.175%0.75265%0.645SS**  trans-52114.1-175.900000108.9N207 L211N207-A209 PolarHBondContact O-N 3.48Å; A209-L211 VanDerWaalsContact C-N 3.3Å; A209-L211 PolarHBondContact O-N 3.05Å
210K35.6Very low48.1Very low203 Ų203117.7 Ų117.788%0.88368%0.681SS**  trans-65.394.6-179.7-78.4-171.1175.4-176.70108.2P208 S212P208-K210 PolarHBondContact O-N 3.35Å; K210-S212 PolarHBondContact O-N 2.89Å
211L44.2Very low46.6Very low135 Ų135115.3 Ų115.371%0.70769%0.686SS**  trans-65.179.2167.5-74.9168.1000108.1A209 T215A209-L211 VanDerWaalsContact C-N 3.3Å; A209-L211 PolarHBondContact O-N 3.05Å; L211-T215 HydrophobicContact CD2-CG2 4.33Å
212S42.3Very low45Very low63 Ų63121.3 Ų121.344%0.44171%0.714SS.*  trans-59140.5168.4-168.70000108.2K210 Y214 T215K210-S212 PolarHBondContact O-N 2.89Å; S212-Y214 PolarHBondContact O-N 3.05Å; S212-T215 WeakPolarHBondContact O-CB 2.88Å; S212-T215 PolarHBondContact O-N 3.41Å; S212-T215 PolarHBondContact O-OG1 2.75Å
213C42.3Very low43.7Very low93 Ų93125.4 Ų125.463%0.62874%0.738SS**G310 helixtrans-51.8-33.9-173.2-171.90000112.8T215 L216C213-T215 PolarHBondContact O-N 2.66Å; C213-L216 PolarHBondContact O-N 3.37Å
214Y45.1Very low42.4Very low193 Ų193126.5 Ų126.576%0.75774%0.74SS**G310 helixtrans-57.7-25.9175.7-60.3-80.1000115.2S212 L216 L217S212-Y214 PolarHBondContact O-N 3.05Å; Y214-L216 VanDerWaalsContact C-N 3.29Å; Y214-L216 PolarHBondContact O-N 3.15Å; Y214-L217 PolarHBondContact O-N 3.21Å
215T51.7Low41.6Very low81 Ų81125.4 Ų125.450%0.49774%0.738SS.*G310 helixtrans-74.8-17-179.5-51.10000113.1L211 S212 C213L211-T215 HydrophobicContact CD2-CG2 4.33Å; S212-T215 WeakPolarHBondContact O-CB 2.88Å; S212-T215 PolarHBondContact O-N 3.41Å; S212-T215 PolarHBondContact O-OG1 2.75Å; C213-T215 PolarHBondContact O-N 2.66Å
216L43.8Very low40.4Very low146 Ų146123.2 Ų123.276%0.76473%0.731SS**G310 helixtrans-91.2-1.2172.8-70169000113C213 Y214C213-L216 PolarHBondContact O-N 3.37Å; Y214-L216 VanDerWaalsContact C-N 3.29Å; Y214-L216 PolarHBondContact O-N 3.15Å
217L44.5Very low39.6Very low132 Ų132129.5 Ų129.569%0.69174%0.741SS**SBendtrans-128.151.6-175.1-76.4165.6000111.5Y214 C219Y214-L217 PolarHBondContact O-N 3.21Å; L217-C219 PolarHBondContact O-N 3.35Å
218C42.1Very low38.9Very low105 Ų105128.9 Ų128.971%0.70973%0.734SS**  trans-72.589.9179.1-72.70000113
219C36.2Very low37.9Very low119 Ų119133.7 Ų133.780%0.80474%0.743SS**  trans-168.2102.6145.3-102.90000112.7L217L217-C219 PolarHBondContact O-N 3.35Å
220T35.5Very low37Very low142 Ų142136.7 Ų136.787%0.87174%0.739SS**  trans-167.4149.7153.611.90000109.2
221P41.2Very low36.8Very low114 Ų114133.1 Ų133.174%0.7473%0.73SS**PPolyproline II helixtrans-83.8159.1-172.933.4-35.7000113.9
222F35.4Very low36.1Very low205 Ų205135.1 Ų135.190%0.89973%0.733SS**PPolyproline II helixtrans-59.7136.3170.4-89.3-96000112.8
223P35.8Very low35.4Very low119 Ų119140.9 Ų140.977%0.77375%0.75SS**PPolyproline II helixtrans-91.9151.2142.434.7-29.3000110.4
224A29.8Very low34.5Very low96 Ų96146 Ų14679%0.79376%0.761SS**  trans-112.6154.1-173.700000113.7
225S31.2Very low33.5Very low107 Ų107143.3 Ų143.375%0.74877%0.765SS**  trans66.1127.5157.6-163.10000118.8
226T27.9Very low33.1Very low120 Ų120145.1 Ų145.174%0.73678%0.778SS**  -167.2137.2104.419.10000115.1
227K28.6Very low32.3Very low190 Ų190143.4 Ų143.483%0.82678%0.778SS**  trans64.899.6144.8-66.9173.1-178.7178.30120
228E28.6Very low31.5Very low141 Ų141146.7 Ų146.766%0.65978%0.782SS**  trans-46.1144148.2-178-170.9157.700112.6K230E228-K230 HydrophobicContact CG-CB 4.41Å; E228-K230 WeakPolarHBondContact OE1-CD 3.48Å; E228-K230 WeakPolarHBondContact OE1-CE 3.46Å; E228-K230 WeakPolarHBondContact OE1-CG 3.37Å; E228-K230 IonicContact OE1-NZ 3.95Å; E228-K230 PolarHBondContact OE1-NZ 2.93Å; E228-K230 IonicContact OE2-NZ 3.01Å
229K27.6Very low30.9Very low213 Ų213148.2 Ų148.293%0.92678%0.783SS**  trans-126.4138.3162.3-128.5-176.2-177.2-174.60109
230K27.6Very low30.6Very low153 Ų153147.9 Ų147.967%0.66577%0.772SS**  trans-143.8101.4-155.3-169.8-159-147.995.80113.6E228E228-K230 HydrophobicContact CG-CB 4.41Å; E228-K230 WeakPolarHBondContact OE1-CD 3.48Å; E228-K230 WeakPolarHBondContact OE1-CE 3.46Å; E228-K230 WeakPolarHBondContact OE1-CG 3.37Å; E228-K230 IonicContact OE1-NZ 3.95Å; E228-K230 PolarHBondContact OE1-NZ 2.93Å; E228-K230 IonicContact OE2-NZ 3.01Å
231D30.8Very low30.3Very low128 Ų128151.7 Ų151.768%0.68477%0.771SS**  trans-141.9119.4161.7-86.5-58.3000108.4
232K29.6Very low29.6Very low178 Ų178151.4 Ų151.477%0.77477%0.767SS**  68.3136.179.1-68.5-170.6-153.9100.70113.3
233K26.9Very low29.3Very low184 Ų184148.8 Ų148.880%0.876%0.76SS**  cis-175126.5-15.3176.1-176.6179.5179.80108.8
234K25.4Very low29.3Very low199 Ų199148.1 Ų148.187%0.86576%0.756SS**  trans165.2140.3137.4-93.4172.6-178.7-176.90113.4
235T24.1Very low29.3Very low137 Ų137150.1 Ų150.184%0.8476%0.759SS**  trans-118.9-170174.86.60000107.9
236P43Very low29.2Very low119 Ų119153.7 Ų153.777%0.77376%0.763SS**  cis-136.7169.9-9.933.9-14.2000116.9
237S25.7Very low29.5Very low110 Ų110159.5 Ų159.577%0.76977%0.772SS**  trans-157.9116.9136.6-165.60000107
238R28.1Very low29.6Very low202 Ų202156 Ų15676%0.76277%0.768SS**  48.1121.373.6-93.4-179.4179.6156.80.1111.6I240R238-I240 HydrophobicContact CG-CD1 4.06Å
239N30.6Very low29.7Very low137 Ų137160.4 Ų160.473%0.73378%0.779SS**  cis-130.9136.929.6-59.6-46.4000110.6
240I28.7Very low29.8Very low111 Ų111157.4 Ų157.457%0.56978%0.779SS**  60122.374.5-57.7162.7000111R238R238-I240 HydrophobicContact CG-CD1 4.06Å
241W29.4Very low29.9Very low223 Ų223160.9 Ų160.985%0.84579%0.788SS**  cis-95.5-164.86.5-63.279000111.6
242T27.8Very low29.7Very low108 Ų108158.7 Ų158.766%0.66379%0.788SS**  cis70.1155.19.342.10000116.2
243I29.1Very low29.6Very low149 Ų149156.2 Ų156.276%0.76479%0.791SS**  cis-157.9163.8-3.9-129.3163000108.1
244P33.9Very low29.8Very low106 Ų106155 Ų15569%0.68879%0.793SS**  cis-125.7-170.5-21.942.8-27.6000112.6
245T29.8Very low30Very low137 Ų137150.4 Ų150.484%0.8479%0.787SS**  trans-158.1126.6152.4-49.10000109.5
246E30.5Very low30.6Very low182 Ų182150 Ų15085%0.8579%0.786SS**  trans-78.3154.5-177.4-62.8-155.8151.200114
247R32.8Very low30Very low242 Ų242150.9 Ų150.991%0.91379%0.79SS**  trans-118.5107.7172.8-63.9-172.6-172.1-167.83.4110.7W249R247-W249 PolarHBondContact O-N 3.21Å
248P30.8Very low30.3Very low116 Ų116153 Ų15375%0.75379%0.792SS**  trans-73.4113177-18.933.2000112.8
249W30.7Very low30.6Very low235 Ų235149.2 Ų149.289%0.8979%0.793SS**  trans46.994.4145.5-55.994.1000119.8R247 R251R247-W249 PolarHBondContact O-N 3.21Å; W249-R251 PolarHBondContact O-N 3.28Å; W249-R251 VanDerWaalsContact O-N 3.15Å
250T30Very low30.4Very low149 Ų149150.2 Ų150.291%0.91480%0.798SS**  trans-70.598.615049.10000109.7
251R29.5Very low30.3Very low226 Ų226154.8 Ų154.885%0.85381%0.809SS**  trans-85.8114.9176.4-171.6179.6-67.4176.8-1110.3W249W249-R251 PolarHBondContact O-N 3.28Å; W249-R251 VanDerWaalsContact O-N 3.15Å
252A27.8Very low30.6Very low82 Ų82150.3 Ų150.368%0.67880%0.802SS**  trans-71.5146.2175.800000111.9N254A252-N254 PolarHBondContact O-N 3.26Å
253C27.1Very low30.9Very low126 Ų126150 Ų15085%0.85180%0.801SS**  trans-86.199.9175.8-67.50000110.9
254N30.9Very low31.1Very low158 Ų158148.5 Ų148.585%0.84580%0.801SS**  trans-86.7110.5165.3-68.9-7.1000109.1A252A252-N254 PolarHBondContact O-N 3.26Å
255S29.7Very low30.9Very low104 Ų104147.9 Ų147.973%0.72780%0.8SS**PPolyproline II helixtrans-86137164.4-65.30000109.7
256P36.7Very low30.8Very low127 Ų127147.6 Ų147.683%0.82580%0.798SS**PPolyproline II helixtrans-75.7128.7179.829.7-33.6000111.7
257T30.1Very low31.1Very low138 Ų138144.1 Ų144.185%0.84779%0.791SS**PPolyproline II helixtrans-76.9126.5176.1-520000111
258L32.3Very low30.9Very low156 Ų156137.9 Ų137.982%0.81778%0.78SS**PPolyproline II helixtrans-76.9138.9165.1-76.6168.8000110.1
259P34.7Very low30.8Very low122 Ų122141 Ų14179%0.79278%0.781SS**PPolyproline II helixtrans-72.1130.7-177.529.1-34.2000111.7
260L27.1Very low30.6Very low158 Ų158139.6 Ų139.683%0.82778%0.782SS**PPolyproline II helixtrans-84.7132.9172.2-159.777.7000109.9
261Y26.1Very low30.4Very low206 Ų206136.6 Ų136.681%0.80877%0.772SS**PPolyproline II helixtrans-87.3121.4179178.2-91.3000111.1
262N35.9Very low30.3Very low130 Ų130133.1 Ų133.170%0.69577%0.77SS**  trans-114.5125.9176.8-80-0.4000111.2
263P33.5Very low30.3Very low100 Ų100134.9 Ų134.965%0.64977%0.768SS**  trans-83.8159.5166.834.3-33.8000112.4
264P34.2Very low30.4Very low118 Ų118135.1 Ų135.177%0.76676%0.759SS**  trans-101142.1-167.1-1.323.9000116.2
265S28.9Very low30.2Very low93 Ų93133.3 Ų133.365%0.6575%0.754SS**  trans45.4102141.462.40000120.7
266T26.6Very low30Very low132 Ų132134.3 Ų134.381%0.8176%0.755SS**  85.3171.891.968.30000114.5
267P38Very low29.6Very low109 Ų109133 Ų13371%0.70875%0.749SS**  cis-133.4-171.5-7.821.74.5000115.9
268V28.5Very low29.5Very low110 Ų110132.3 Ų132.367%0.66775%0.745SS**  trans117.8120.5138.7-173.80000120.1
269K27.6Very low29.3Very low182 Ų182134.5 Ų134.579%0.79175%0.748SS**  trans77.6120154.2-77.5160.8-160.1168.60123
270K26.9Very low29Very low206 Ų206138.7 Ų138.790%0.89675%0.754SS**  35.2142.8124.3-58.3-174.4176-1720119.7
271A25.9Very low28.9Very low86 Ų86135 Ų13571%0.71175%0.753SS**  cis-149.7164.710.300000110.1
272L28.4Very low28.9Very low153 Ų153135.4 Ų135.480%0.80175%0.753SS**  55.9124.279.7-143.164.2000112.3
273D26.9Very low28.5Very low119 Ų119134.7 Ų134.764%0.63675%0.746SS**  cis-160.8179.211.9-139.6-22000114.9
274I30.2Very low28.3Very low131 Ų131138.2 Ų138.267%0.67276%0.757SS**  trans55120.4152.5-67.4155.8000118.3
275T25.8Very low28Very low120 Ų120137.9 Ų137.974%0.73675%0.748SS**  cis91.914436.1-53.70000115.1
276T26.8Very low27.9Very low124 Ų124140.3 Ų140.376%0.76175%0.754SS**  trans93156.1172.974.10000118.7
277S27.7Very low27.8Very low100 Ų100140.9 Ų140.970%0.69976%0.757SS**  -177173.3-75.351.70000112.9
278V27.1Very low27.3Very low123 Ų123141.9 Ų141.975%0.74576%0.762SS**  trans77.1146.7165.1-175.80000113.3
279K27.9Very low27.9Very low202 Ų202142.1 Ų142.188%0.87877%0.765SS**  cis-144.4173.425.8-141.9146-159.5172.90114
280K30.1Very low27.8Very low211 Ų211139.1 Ų139.192%0.91776%0.762SS**  trans-89.8158.6174.7-65.8179.8175.8-178.50113.1
281G24.2Very low27.7Very low79 Ų79138.2 Ų138.281%0.81476%0.758SS**  trans-153.2158.9162.800000110.1
282W25.3Very low27.8Very low216 Ų216144.2 Ų144.282%0.81877%0.768SS**  trans-151.2134.1-160.3172.7-81.1000114.2
283E29Very low27.6Very low115 Ų115141 Ų14154%0.53777%0.771SS.*  trans44.3150.9164-67.8-175.7159.800123.3
284I28.7Very low27.5Very low174 Ų174147.3 Ų147.389%0.89279%0.786SS**  -159.1156.6113.3-97.2158.2000108.8
285I27.5Very low27.3Very low110 Ų110149.7 Ų149.756%0.56480%0.795SS**  trans-125.6139.3-158.5-69.6173.1000113.2
286N26.4Very low27.4Very low145 Ų145150.5 Ų150.578%0.77579%0.793SS**  trans50.1137.6159.5-65.3-15.5000122.1
287T24.2Very low27.4Very low143 Ų143152 Ų15288%0.87780%0.795SS**  -158.7147.8125.81.50000112.8
288T28.9Very low27.2Very low131 Ų131154.6 Ų154.680%0.80480%0.801SS**  trans-141.5175.2165.258.40000106.6
289P41.4Very low27.2Very low114 Ų114154.9 Ų154.974%0.7480%0.803SS**  cis-134.5-164.84.939.8-19.8000113.9
290V24.2Very low27.1Very low119 Ų119151.3 Ų151.372%0.72180%0.798SS**  167.1124.1126.6155.10000115.5
291K25.3Very low27.2Very low187 Ų187147.3 Ų147.381%0.81379%0.794SS**  trans44.1118.5148-61.9174.2-173.8171.70124.7
292K28.6Very low27.4Very low213 Ų213150 Ų15093%0.92679%0.794SS**  48.8124.4124.6-72.6-168.8170.9-170.20122.4
293G22.6Very low27.4Very low84 Ų84149.3 Ų149.387%0.86680%0.797SS**  trans-154.9159.8150.100000109.6
294W25.1Very low27.3Very low252 Ų252153.5 Ų153.596%0.95581%0.814SS**  trans-120.5141.8-177-132.7-40.3000108.8
295E26.9Very low27.1Very low182 Ų182149.1 Ų149.185%0.8580%0.803SS**  178.5-179.1123.7-102-178.2-159.100114.9
296I27.4Very low27.1Very low137 Ų137151.8 Ų151.870%0.70382%0.817SS**  trans-91.7147.9-155.4-60.7155.6000112.5
297I26.9Very low27Very low154 Ų154151.1 Ų151.179%0.7981%0.814SS**  trans-133.7121.5155.3-54.7-178.9000109.8T299I297-T299 HydrophobicContact CG2-CG2 4.1Å
298N23.3Very low27.1Very low155 Ų155152.2 Ų152.283%0.82981%0.813SS**  trans-88139.1163.1-85.3-18.4000109.4
299T26.7Very low26.9Very low130 Ų130152.2 Ų152.280%0.79881%0.808SS**  trans-128.5121.3169.546.80000111.8I297I297-T299 HydrophobicContact CG2-CG2 4.1Å
300T27.3Very low26.1Very low126 Ų126153.3 Ų153.377%0.77381%0.813SS**PPolyproline II helixtrans-84.1150.2169.239.80000110.8
301P32Very low26.3Very low127 Ų127153.4 Ų153.483%0.82581%0.814SS**PPolyproline II helixtrans-76.6129174.830.6-33.1000111.1
302V27Very low27.1Very low135 Ų135149.8 Ų149.882%0.81881%0.809SS**PPolyproline II helixtrans-85.2131.2178.8173.20000110.5
303K26.8Very low26.9Very low203 Ų203147.4 Ų147.488%0.88381%0.807SS**PPolyproline II helixtrans-65.3138.6170.6-64.8179.2179.5179.30110.3
304K27.1Very low27.2Very low203 Ų203152.5 Ų152.588%0.88381%0.805SS**  trans-137.4111.6160.4-160.6171-173.3178.50110.2
305A23Very low27.2Very low81 Ų81150.7 Ų150.767%0.66980%0.804SS**  trans-89156.1167.700000109.7
306L28Very low27.1Very low166 Ų166146.4 Ų146.487%0.86980%0.799SS**  trans-154.5114.7162.1-166.770.4000108.5
307D25.6Very low27Very low132 Ų132148 Ų14871%0.70681%0.808SS**  trans-86.5149.2-178.8-58.6-69.8000112.1
308I25.8Very low27Very low166 Ų166147.6 Ų147.685%0.85181%0.808SS**  trans-132.3119154.2-62-177.9000107
309N24.8Very low26.9Very low130 Ų130147.3 Ų147.370%0.69581%0.805SS**  trans-108.3129.6179.2-92.4-56000110.9
310T24.3Very low26.7Very low137 Ų137147.6 Ų147.684%0.8480%0.802SS**  trans-148.7143145.64.40000108.6
311T28.1Very low26.5Very low121 Ų121148 Ų14874%0.74280%0.804SS**  trans-117.5-155.3-163.549.90000111.2
312P41.3Very low26.3Very low111 Ų111148.1 Ų148.172%0.72180%0.802SS**  -121.2-176.3-99.339.9-24.4000112.2
313D25.1Very low26.8Very low164 Ų164146.4 Ų146.488%0.87779%0.794SS**  trans-142150.3155-131.9-32.9000113
314K29.3Very low26.8Very low190 Ų190143.8 Ų143.883%0.82679%0.79SS**  trans-126.6132.1-179.2-75.8-176.5178.9179.40110
315K25.7Very low26.7Very low215 Ų215144.4 Ų144.494%0.93579%0.793SS**  trans-152.5141149.3-119166-174.6172.70111.3
316A23.7Very low26.9Very low91 Ų91150 Ų15075%0.75280%0.802SS**  trans-125.9148.6175.400000108.7
317L24.7Very low26.6Very low171 Ų171146.6 Ų146.690%0.89580%0.797SS**  trans-159.4133152.4-151.270000109.5
318D27Very low26.6Very low146 Ų146146.7 Ų146.778%0.78180%0.797SS**  trans-80.9166.9173.8-59.7-77.8000112.2
319I22.8Very low26.5Very low148 Ų148146.6 Ų146.676%0.75980%0.798SS**  trans-175.1124.7131.8-95.1151.9000110.6
320N22.4Very low26.4Very low137 Ų137145.9 Ų145.973%0.73379%0.793SS**  trans16.5145.2148.1-42.1-31.4000119.4
321T22.2Very low26.4Very low133 Ų133146.4 Ų146.482%0.81679%0.791SS**  cis-172.9159.448.4-36.40000111.9
322T27.5Very low26.1Very low130 Ų130146.2 Ų146.280%0.79879%0.79SS**  trans-119.9179.4173.9340000111.3
323P37.6Very low25.4Very low100 Ų100146.2 Ų146.265%0.64979%0.788SS**  cis-132.6-166.8-8.740.1-20.8000114.9
324D26.7Very low25.6Very low148 Ų148144.7 Ų144.779%0.79179%0.787SS**  trans55.7132.2146-65.6-12.1000124.7
325K25.8Very low25.5Very low216 Ų216141.1 Ų141.194%0.93978%0.781SS**  trans-140.2150.1136.5-85.2-162.7176.6179.80111.3
326K25.8Very low25.4Very low198 Ų198140.4 Ų140.486%0.86178%0.778SS**  trans-143.6125.7-165.4-178.2-178-177.3178.90112.2
327A22.2Very low25.5Very low94 Ų94145.3 Ų145.378%0.77778%0.782SS**  trans-151.2122.6157.400000105.4
328L25Very low25.5Very low135 Ų135141.3 Ų141.371%0.70777%0.774SS**  cis68.195.739.4-161.879.9000112.9I330L328-I330 HydrophobicContact CD1-CD1 3.8Å; L328-I330 HydrophobicContact CD1-CG1 4.05Å
329D24.6Very low25.5Very low163 Ų163141 Ų14187%0.87277%0.772SS**  trans-141.1157.1133.8-137.9-26.1000109.3
330I22.8Very low25.6Very low115 Ų115140.1 Ų140.159%0.5977%0.769SS**  trans-137.6138.4-167.9-67176.1000110.2L328L328-I330 HydrophobicContact CD1-CD1 3.8Å; L328-I330 HydrophobicContact CD1-CG1 4.05Å
331N23.4Very low25.7Very low148 Ų148141 Ų14179%0.79177%0.772SS**  trans162141.9144.3-87.8-37.1000111.3
332T23Very low25.8Very low117 Ų117142.1 Ų142.172%0.71877%0.773SS**  cis-154.7154.1-25.9-32.90000107.2
333T25.6Very low25.6Very low111 Ų111141.7 Ų141.768%0.68177%0.77SS**  trans-87170175.754.20000112.9
334P29.4Very low25.1Very low132 Ų132143 Ų14386%0.85778%0.776SS**  -128173.5105.337.6-32.5000114.6
335V27.2Very low25.6Very low115 Ų115141.5 Ų141.570%0.69777%0.774SS**  trans-118.6146-158.7170.10000114
336K24.8Very low25.6Very low200 Ų200138.8 Ų138.887%0.8777%0.77SS**  trans-161116.2142.2-99154-173.7-179.90107.5
337K26Very low25.6Very low194 Ų194138 Ų13884%0.84377%0.767SS**  50.3131.381-87.5-166.2168.4-175.50113.5
338A23.3Very low25.7Very low88 Ų88143.6 Ų143.673%0.72777%0.774SS**  cis-171.1-176.8-11.400000107.7
339L27.3Very low25.6Very low139 Ų139141.3 Ų141.373%0.72877%0.774SS**  cis-162.6135.20.7-171.660.1000110.1
340D25.5Very low25.7Very low130 Ų130140.4 Ų140.470%0.69577%0.769SS**  trans54.1162.1154.9-60.1-8.8000119.8
341I24.8Very low25.7Very low156 Ų156141.3 Ų141.380%0.878%0.775SS**  cis-136.3143.138.3-69.4166.8000112.9
342N23.9Very low25.9Very low156 Ų156142 Ų14283%0.83478%0.777SS**  trans-97.6159.9168.2-78.3-55.2000112.1
343T24.1Very low26Very low120 Ų120143.2 Ų143.274%0.73678%0.779SS**  trans-130.2153.8-175.7-38.50000112.4
344T25.6Very low25.9Very low128 Ų128143.7 Ų143.779%0.78578%0.782SS**  trans75.6160.817079.10000116.9
345P38.9Very low25.7Very low116 Ų116143.2 Ų143.275%0.75378%0.776SS**  cis-126.3173.6-23.334.6-19.6000113.1
346D25.1Very low26.2Very low159 Ų159143 Ų14385%0.8578%0.778SS**  trans-162.6176.6131.9-130.9-33.9000114.9
347K25.4Very low26.3Very low183 Ų183141.2 Ų141.280%0.79678%0.777SS**  trans-117.4141.6-167.9-51.9161.8-176.6165.40114.1
348K25.4Very low26.3Very low210 Ų210140.7 Ų140.791%0.91378%0.775SS**  179.4171124.1-105.6175.8177.7179.50115.5
349A21.8Very low26.4Very low88 Ų88146.1 Ų146.173%0.72778%0.783SS**  trans-47.4166.2175.600000115
350L26.3Very low26.2Very low144 Ų144143.4 Ų143.475%0.75478%0.78SS**  -167.5154.754.5-172.965.4000113.8
351D23.8Very low26.2Very low133 Ų133145 Ų14571%0.71179%0.788SS**  trans26.5140.8161.2-57.5-19.5000124
352I27.9Very low26.1Very low164 Ų164144.2 Ų144.284%0.84179%0.785SS**  trans-84.8132167-62.9168000109.5
353N24.5Very low26Very low142 Ų142144.2 Ų144.276%0.75978%0.778SS**  trans-147.2127.3159.4-98.7-52.1000113.2
354T23.3Very low25.9Very low121 Ų121144.6 Ų144.674%0.74278%0.78SS**  trans64.5115.3146.5-37.30000120.8
355T24Very low26.1Very low121 Ų121144.6 Ų144.674%0.74278%0.78SS**  trans-58.8178.2159.648.90000114.9
356P38.6Very low25.9Very low112 Ų112144.4 Ų144.473%0.72778%0.779SS**  cis-130.6-171.4-35.837.1-21.3000110.9
357D26Very low25.8Very low161 Ų161142.8 Ų142.886%0.86178%0.775SS**  trans-155.5168.2138.2-136.5-26.4000115.2
358K26.2Very low25.9Very low183 Ų183143.3 Ų143.380%0.79678%0.777SS**  trans-123.6133.3-175.2-58.6171.3-177.2171.80112.6
359K27.3Very low26Very low203 Ų203143 Ų14388%0.88378%0.776SS**  trans-175.3136.8142.2-96140.3-171.91710108
360A21.9Very low26.1Very low82 Ų82142 Ų14268%0.67877%0.773SS**  cis82.2136.72400000115.4
361L26.4Very low26.1Very low164 Ų164145.6 Ų145.686%0.85978%0.777SS**  trans71.3125.5-169-72.369.8000114.1
362D22.3Very low26.3Very low138 Ų138146.9 Ų146.974%0.73878%0.779SS**  cis102.4157.515.8-160.816.8000114.6
363F22.2Very low26.3Very low157 Ų157145.9 Ų145.969%0.68977%0.774SS**  trans82.8117.2173.9-80.5-98.3000122
364T21Very low26.3Very low128 Ų128145.8 Ų145.879%0.78577%0.772SS**  trans75.9136140450000123.9
365T29.8Very low26.3Very low128 Ų128145.3 Ų145.379%0.78577%0.774SS**  trans-97.7169154.958.20000109.6
366P34.5Very low26.3Very low112 Ų112145.6 Ų145.673%0.72778%0.775SS**  -154.6156.710737.7-19.4000118.3
367V23.4Very low25.9Very low125 Ų125146.7 Ų146.776%0.75878%0.78SS**  trans49.5107.9136.7177.80000118.9
368K26.9Very low26.7Very low194 Ų194144 Ų14484%0.84377%0.772SS**  74.2121.968.8-76.9-173.7175.5-175.90117.8
369K28.3Very low26.7Very low203 Ų203141.3 Ų141.388%0.88377%0.77SS**  171.1155.4124.1-98.5179.8176.1-173.90109.9
370G23.6Very low26.6Very low66 Ų66140.9 Ų140.968%0.6877%0.768SS**  cis-149-174.2-9.900000107.9
371W26.2Very low26.7Very low220 Ų220147 Ų14783%0.83378%0.78SS**  cis-141133.83.2-92.7-51.7000107
372E28.4Very low26.5Very low160 Ų160143 Ų14375%0.74878%0.777SS**  65.8139.6101.9-61.7177.2-155.100114.4
373I27.2Very low26.6Very low143 Ų143143.8 Ų143.873%0.73378%0.781SS**  cis-148.1135.645.7-78.1175000112.9
374I25.3Very low26.8Very low141 Ų141143 Ų14372%0.72378%0.783SS**  trans37.2117144.5-55.2173.4000118.6
375S23.1Very low26.9Very low111 Ų111144.3 Ų144.378%0.77679%0.786SS**  74.4152.756.4-580000114.4
376T23.8Very low26.7Very low127 Ų127142.6 Ų142.678%0.77978%0.779SS**  cis-150.7167.531.751.90000115
377T30Very low26.2Very low134 Ų134142.4 Ų142.482%0.82278%0.776SS**  trans-143.9-178.9153.451.80000107.2
378P42.5Very low26.4Very low106 Ų106145.4 Ų145.469%0.68878%0.779SS**  -130.9175.9-61.440.4-26.1000114.5
379V25.7Very low26.3Very low125 Ų125142.4 Ų142.476%0.75878%0.777SS**  trans74.3132.9149.4168.50000122.3
380K25.7Very low26.3Very low194 Ų194137.9 Ų137.984%0.84377%0.766SS**  trans103.2141.2146.2-101.7166.3-172.11720123.7
381K24.4Very low26.4Very low212 Ų212144 Ų14492%0.92277%0.774SS**  trans75.8129.4160.7-74.3-172.9171.5-174.10120.3
382G22.2Very low26.5Very low78 Ų78144.3 Ų144.380%0.80478%0.775SS**  trans155.8103.8153.900000118.4
383L24.4Very low26.3Very low155 Ų155140.8 Ų140.881%0.81277%0.773SS**  trans52.3103.4141.5-115.761.2000123.8
384D25.3Very low26.3Very low140 Ų140142.1 Ų142.175%0.74978%0.781SS**  59.5106.8114.9-50.2-3.1000124.6
385N24.8Very low26.3Very low156 Ų156141.7 Ų141.783%0.83478%0.78SS**  87.6129.7121.4-158.324.6000123.7
386S25Very low26.4Very low93 Ų93145.9 Ų145.965%0.6579%0.785SS**  trans66.3135.9158.1-152.60000118.1
387T24.5Very low26.5Very low108 Ų108144.3 Ų144.366%0.66378%0.779SS**  cis-166.7132.444.3-51.40000113.9
388K26.8Very low26.3Very low188 Ų188142.8 Ų142.882%0.81777%0.774SS**  trans45.5152.8153.3-61.6173.9-179174.40123.7
389T25.8Very low25.5Very low130 Ų130144.1 Ų144.180%0.79878%0.78SS**  trans101.9130.8145-39.40000117.1
390V27.7Very low26Very low109 Ų109147.7 Ų147.766%0.66179%0.785SS**  cis-175.5140.5-36.4126.30000109.5
391K26.5Very low26.5Very low194 Ų194144 Ų14484%0.84378%0.781SS**  trans63.7157.4173.4-69.8156.5-170173.90115.3
392R27.7Very low26.7Very low227 Ų227139.8 Ų139.886%0.85777%0.773SS**  cis-143.5135.14.7-130.7172.4-178.7160.7-2.3106.9
393A24.5Very low27Very low85 Ų85144.6 Ų144.670%0.70278%0.775SS**  38.1133.2100.600000115.3
394L27.2Very low27.3Very low171 Ų171147.4 Ų147.490%0.89578%0.78SS**  cis-140.1169.529.4-90.3165000114.9
395D24.6Very low27.4Very low133 Ų133144.3 Ų144.371%0.71178%0.781SS**  trans-89.1162.2-176.5-72.2-76.9000115.8
396F25.8Very low27.5Very low198 Ų198145.1 Ų145.187%0.86879%0.785SS**  trans49.3158.2145.6-83.6-122.8000120.7
397S24.8Very low27.7Very low95 Ų95148 Ų14866%0.66479%0.793SS**  cis-179.8154.9-25.7-179.60000108.6
398S26.8Very low27.9Very low102 Ų102150.9 Ų150.971%0.71380%0.803SS**  trans76.2165.7154.1-1550000121.1
399T25.7Very low27.9Very low134 Ų134152.3 Ų152.382%0.82280%0.803SS**  trans79.6137.3168.269.70000120.4
400K34.8Very low28Very low199 Ų199153 Ų15387%0.86580%0.801SS**  trans-99.6157.1162-57.3177.4-179.8179.70108.2
401P37.7Very low28Very low116 Ų116153.6 Ų153.675%0.75380%0.8SS**  -147.3142106.937.5-20.5000114
402V27.3Very low28.3Very low124 Ų124151.6 Ų151.675%0.75280%0.797SS**  85.5128.289.3178.20000115.6
403E30Very low28.4Very low179 Ų179146.8 Ų146.884%0.83680%0.798SS**  trans41.3137.8158.8-70.1173.816700124.4
404K30.4Very low28.7Very low215 Ų215147.3 Ų147.394%0.93580%0.797SS**  -147132.9120.5-105173.7-175.1177.30109.4
405G26.2Very low29Very low74 Ų74146.1 Ų146.176%0.76380%0.797SS**  trans-105.4164.5173.600000112.3
406L28.4Very low29.5Very low174 Ų174148.5 Ų148.591%0.91180%0.801SS**  trans-153.2121.8165.5-160.873.3000109.8
407D28.9Very low30Very low153 Ų153145.1 Ų145.182%0.81880%0.799SS**  trans-76.5153.2170.6-79.5-57.9000111.5
408I29.1Very low30.4Very low169 Ų169146 Ų14687%0.86780%0.8SS**  trans-159.4151.6140.3-104.1150.7000109.2
409R26.8Very low30.9Very low217 Ų217149.2 Ų149.282%0.81980%0.803SS**  trans-139.2168-169-173-178.4177.2-170.30.9109
410L27.1Very low31.4Very low145 Ų145152.1 Ų152.176%0.75981%0.805SS**  trans79.9158.7173.3-50.5167.8000115.4
411D28.4Very low31.4Very low121 Ų121146.3 Ų146.365%0.64780%0.802SS**  -165.7159.3-53.9-119.8-45.5000110.4
412I33.2Very low31.4Very low153 Ų153148.8 Ų148.879%0.78581%0.807SS**  trans42.7119.2154.3-57.3157.8000119.5
413S28Very low32.2Very low126 Ų126148.7 Ų148.788%0.88180%0.803SS**  trans-153.1155.1132.6-160.70000113.9
414S32.2Very low33.3Very low96 Ų96147.1 Ų147.167%0.67180%0.798SS**  trans-87.1149.7-167.4175.10000114.5
415T32.3Very low34.1Very low145 Ų145140.9 Ų140.989%0.8978%0.782SS**  trans-160.1161.2135.95.90000112.2
416K34.8Very low35.1Very low183 Ų183146.4 Ų146.480%0.79679%0.785SS**  trans-95.9147.5-168.1-53.3170.2-175.9173.30113.1
417P37.3Very low35.8Very low127 Ų127146.1 Ų146.183%0.82578%0.783SS**  trans-85148153.534.5-31.2000111.3
418V33.3Very low36.8Very low115 Ų115148.4 Ų148.470%0.69779%0.786SS**  trans-140.6134.9-179.4166.10000109.7
419H36.7Very low37.8Very low168 Ų168149.3 Ų149.378%0.77879%0.787SS**  trans10.5144.8159.1-68.2-73.1000120.5
420K37.3Very low39Very low195 Ų195147.9 Ų147.985%0.84879%0.789SS**  cis-136.3165.917.6-85.8107.9177.2-170.70108.5
421G34.4Very low40Very low78 Ų78148.6 Ų148.680%0.80479%0.794SS**  cis91.28839.900000109.4
422L37.9Very low41Very low167 Ų167146.8 Ų146.887%0.87480%0.804SS**  trans-102.5123.5-175.4-167.278.5000110.2
423D44.4Very low41.5Very low123 Ų123151.4 Ų151.466%0.65881%0.812SS**  trans-94.8125.4-178.3-166-34000111S425D423-S425 VanDerWaalsContact C-N 3.34Å; D423-S425 VanDerWaalsContact CG-OG 3.26Å; D423-S425 VanDerWaalsContact OD1-CB 3.24Å; D423-S425 WeakPolarHBondContact OD1-CB 3.37Å; D423-S425 PolarHBondContact OD1-N 2.92Å; D423-S425 PolarHBondContact OD1-OG 3.05Å
424I51.7Low42.5Very low145 Ų145159.1 Ų159.174%0.74483%0.829SS**G310 helixtrans-86.6-7.1-173.6-64.3175.3000111.7K426I424-K426 VanDerWaalsContact C-N 3.31Å; I424-K426 PolarHBondContact O-N 3.3Å
425S46.7Very low43.1Very low84 Ų84162.3 Ų162.359%0.58784%0.837SS**G310 helixtrans-67.1-19.9-177.159.30000115.6D423D423-S425 VanDerWaalsContact C-N 3.34Å; D423-S425 VanDerWaalsContact CG-OG 3.26Å; D423-S425 VanDerWaalsContact OD1-CB 3.24Å; D423-S425 WeakPolarHBondContact OD1-CB 3.37Å; D423-S425 PolarHBondContact OD1-N 2.92Å; D423-S425 PolarHBondContact OD1-OG 3.05Å
426K47.4Very low43.6Very low191 Ų191163.2 Ų163.283%0.8384%0.835SS**G310 helixtrans-98.26-171.5-77.3-162.3170.6-168.80117.3I424I424-K426 VanDerWaalsContact C-N 3.31Å; I424-K426 PolarHBondContact O-N 3.3Å
427L43.8Very low44.1Very low167 Ų167162.1 Ų162.187%0.87484%0.837SS**SBendtrans-96.710.1179.3-84.2168.9000115.1
428K49.5Very low44.5Very low202 Ų202164.2 Ų164.288%0.87884%0.837SS**SBendtrans-105.89.7-173.4-145.8-167.4174.9-172.60115.6
429E50.6Low45.2Very low188 Ų188167.3 Ų167.388%0.87985%0.846SS**SBendtrans-135.534.5-168.5-155.5171.7-152.100114.1
430Q51.3Low45.8Very low187 Ų187167.2 Ų167.287%0.87485%0.851SS**SBendtrans-146-8.7176.5-129.9175.410.200118.1
431N49.2Very low46.4Very low160 Ų160165.2 Ų165.286%0.85685%0.851SS**  trans-122.478.6176.3-75.3-39.2000110.4W433N431-W433 PolarHBondContact O-N 3.13Å
432G49.4Very low47.3Very low83 Ų83171.9 Ų171.986%0.85686%0.855SS**  trans-74.576.9-175.300000114.2
433W44.3Very low48.1Very low250 Ų250172.3 Ų172.395%0.94785%0.853SS**  trans-96.7147160.2-73.910000109.7N431N431-W433 PolarHBondContact O-N 3.13Å
434K48.9Very low48.4Very low288 Ų288176.8 Ų176.8100%1.25287%0.871SS**  trans-84.80-179.6-72.6-175175.8-178.70112

Retrieved 434 of 434 residues in 427.7 ms (Link to these results)

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