A0A077ZC10_TRITR Loading...

LMBR1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZC10, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 654 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
1M58.2Low82.1Confident197 Ų19770.9 Ų70.997%0.9739%0.394SS*.  0-460-62.2-17792.800111.4V3 T4 S5M1-V3 PolarHBondContact O-N 3.07Å; M1-T4 VanDerWaalsContact CA-OG1 3.32Å; M1-T4 WeakPolarHBondContact CA-OG1 3.5Å; M1-T4 PolarHBondContact O-N 3.08Å; M1-T4 PolarHBondContact O-OG1 2.7Å; M1-S5 PolarHBondContact O-N 2.89Å
2G69.6Low83.1Confident5 Ų571.8 Ų71.85%0.05240%0.395CS..Hα-helixtrans-56.9-50.1175.400000114.7T4 S5 L6G2-T4 VanDerWaalsContact C-N 3.28Å; G2-T4 PolarHBondContact O-N 3.29Å; G2-S5 WeakPolarHBondContact O-CB 3.4Å; G2-S5 PolarHBondContact O-N 3.33Å; G2-S5 VanDerWaalsContact O-N 3.1Å; G2-L6 PolarHBondContact O-N 3.07Å
3V76.2Confident84Confident90 Ų9066.5 Ų66.555%0.54537%0.367SS..Hα-helixtrans-59.5-38.6178.3-1790000112.2M1 L6 V7 M88M1-V3 PolarHBondContact O-N 3.07Å; V3-L6 PolarHBondContact O-N 3.31Å; V3-V7 HydrophobicContact CG1-CG2 4.34Å; V3-V7 WeakPolarHBondContact O-CB 3.43Å; V3-V7 WeakPolarHBondContact O-CG2 3.32Å; V3-V7 PolarHBondContact O-N 3.37Å; V3-M88 HydrophobicContact CG2-CG 4.33Å
4T79.7Confident84.8Confident96 Ų9667.7 Ų67.759%0.58937%0.367SS*.Hα-helixtrans-69.2-35.4178.146.40000112.2M1 G2 L8M1-T4 VanDerWaalsContact CA-OG1 3.32Å; M1-T4 WeakPolarHBondContact CA-OG1 3.5Å; M1-T4 PolarHBondContact O-N 3.08Å; M1-T4 PolarHBondContact O-OG1 2.7Å; G2-T4 VanDerWaalsContact C-N 3.28Å; G2-T4 PolarHBondContact O-N 3.29Å; T4-L8 WeakPolarHBondContact O-CB 3.5Å; T4-L8 PolarHBondContact O-N 2.98Å; T4-L8 VanDerWaalsContact O-N 3.11Å
5S82.7Confident85.6Confident42 Ų4268.5 Ų68.529%0.29437%0.374SS..Hα-helixtrans-64.6-50.3173.3-160.50000110.7M1 G2 V7 L8 E9M1-S5 PolarHBondContact O-N 2.89Å; G2-S5 WeakPolarHBondContact O-CB 3.4Å; G2-S5 PolarHBondContact O-N 3.33Å; G2-S5 VanDerWaalsContact O-N 3.1Å; S5-V7 VanDerWaalsContact C-N 3.33Å; S5-V7 PolarHBondContact O-N 3.36Å; S5-L8 WeakPolarHBondContact O-CB 3.38Å; S5-L8 PolarHBondContact O-N 3.42Å; S5-E9 WeakPolarHBondContact O-CG 3.05Å; S5-E9 PolarHBondContact O-N 3.17Å; S5-E9 PolarHBondContact OG-OE1 2.91Å
6L84.3Confident86.1Confident16 Ų1668.9 Ų68.98%0.08438%0.375CS..Hα-helixtrans-59.1-44.5178.9-179.363.9000111.5G2 V3 L8 E9 L10 L54 M88 L96G2-L6 PolarHBondContact O-N 3.07Å; V3-L6 PolarHBondContact O-N 3.31Å; L6-L8 VanDerWaalsContact C-N 3.29Å; L6-L8 PolarHBondContact O-N 2.72Å; L6-E9 PolarHBondContact O-N 2.66Å; L6-L10 HydrophobicContact CD1-CD1 4.33Å; L6-L10 HydrophobicContact CD1-CD2 4.45Å; L6-L10 HydrophobicContact CD1-CG 4.12Å; L6-L10 HydrophobicContact CG-CD1 4.01Å; L6-L10 HydrophobicContact CG-CG 4.23Å; L6-L10 WeakPolarHBondContact O-CB 3.49Å; L6-L10 WeakPolarHBondContact O-CG 3.31Å; L6-L10 PolarHBondContact O-N 2.92Å; L6-L54 HydrophobicContact CD1-CD2 3.93Å; L6-L54 HydrophobicContact CD2-CD2 4.25Å; L6-L54 HydrophobicContact CG-CD2 4.46Å; L6-M88 HydrophobicContact CB-SD 4.29Å; L6-M88 HydrophobicContact CD2-CE 3.8Å; L6-M88 HydrophobicContact CD2-SD 3.46Å; L6-M88 WeakPolarHBondContact CD2-SD 3.43Å; L6-M88 HydrophobicContact CG-SD 4.49Å; L6-L96 HydrophobicContact CD2-CD2 4.13Å
7V87.3Confident86.6Confident75 Ų7564.8 Ų64.846%0.45535%0.353SS..Hα-helixtrans-60.4-40.6177.1169.70000111.2V3 S5 L11V3-V7 HydrophobicContact CG1-CG2 4.34Å; V3-V7 WeakPolarHBondContact O-CB 3.43Å; V3-V7 WeakPolarHBondContact O-CG2 3.32Å; V3-V7 PolarHBondContact O-N 3.37Å; S5-V7 VanDerWaalsContact C-N 3.33Å; S5-V7 PolarHBondContact O-N 3.36Å; V7-L11 HydrophobicContact CG1-CD1 4.06Å; V7-L11 HydrophobicContact CG1-CG 4.5Å; V7-L11 WeakPolarHBondContact O-CB 3.26Å; V7-L11 VanDerWaalsContact O-CG 3.23Å; V7-L11 WeakPolarHBondContact O-CG 2.97Å; V7-L11 PolarHBondContact O-N 3.1Å
8L89.9Confident87Confident103 Ų10363.7 Ų63.754%0.53935%0.346SS..Hα-helixtrans-64.6-45.9176.5-179.665000111.7T4 S5 L6 L11 I12T4-L8 WeakPolarHBondContact O-CB 3.5Å; T4-L8 PolarHBondContact O-N 2.98Å; T4-L8 VanDerWaalsContact O-N 3.11Å; S5-L8 WeakPolarHBondContact O-CB 3.38Å; S5-L8 PolarHBondContact O-N 3.42Å; L6-L8 VanDerWaalsContact C-N 3.29Å; L6-L8 PolarHBondContact O-N 2.72Å; L8-L11 PolarHBondContact O-N 3.43Å; L8-I12 HydrophobicContact CD1-CD1 4.32Å; L8-I12 HydrophobicContact CG-CD1 3.99Å; L8-I12 VanDerWaalsContact O-CG1 3.3Å; L8-I12 WeakPolarHBondContact O-CG1 3.5Å; L8-I12 PolarHBondContact O-N 3.15Å
9E89.8Confident87.2Confident26 Ų2667.2 Ų67.212%0.12136%0.362CS..Hα-helixtrans-60.5-45.7177.2-70.9155.1-148.600111.5S5 L6 L11 I12 V13 F50S5-E9 WeakPolarHBondContact O-CG 3.05Å; S5-E9 PolarHBondContact O-N 3.17Å; S5-E9 PolarHBondContact OG-OE1 2.91Å; L6-E9 PolarHBondContact O-N 2.66Å; E9-L11 VanDerWaalsContact C-N 3.34Å; E9-L11 PolarHBondContact O-N 3.42Å; E9-I12 PolarHBondContact O-N 3.47Å; E9-V13 WeakPolarHBondContact O-CG2 3.41Å; E9-V13 PolarHBondContact O-N 3.31Å; E9-F50 HydrophobicContact CB-CB 4.32Å; E9-F50 HydrophobicContact CB-CD1 4.38Å; E9-F50 HydrophobicContact CB-CG 4.15Å; E9-F50 HydrophobicContact CG-CD1 4.08Å; E9-F50 HydrophobicContact CG-CG 4.34Å
10L91.2Very high87.3Confident29 Ų2965.3 Ų65.315%0.15235%0.352CS..Hα-helixtrans-60.1-42.1175.2-69.9179.7000111.7L6 V13 F14 Y43 V47L6-L10 HydrophobicContact CD1-CD1 4.33Å; L6-L10 HydrophobicContact CD1-CD2 4.45Å; L6-L10 HydrophobicContact CD1-CG 4.12Å; L6-L10 HydrophobicContact CG-CD1 4.01Å; L6-L10 HydrophobicContact CG-CG 4.23Å; L6-L10 WeakPolarHBondContact O-CB 3.49Å; L6-L10 WeakPolarHBondContact O-CG 3.31Å; L6-L10 PolarHBondContact O-N 2.92Å; L10-V13 PolarHBondContact O-N 3.24Å; L10-F14 WeakPolarHBondContact O-CB 3.43Å; L10-F14 PolarHBondContact O-N 3.28Å; L10-Y43 WeakPolarHBondContact CB-OH 3.48Å; L10-Y43 WeakPolarHBondContact CD2-OH 3.11Å; L10-Y43 WeakPolarHBondContact O-CE2 3.32Å; L10-V47 HydrophobicContact CD2-CB 4.27Å; L10-V47 HydrophobicContact CD2-CG1 3.5Å; L10-V47 VanDerWaalsContact CD2-CG1 3.5Å; L10-V47 HydrophobicContact CD2-CG2 3.68Å
11L94.1Very high87.5Confident101 Ų10162.1 Ų62.153%0.52934%0.335SS..Hα-helixtrans-65.3-41.3175.8-73.8171.2000112.2V7 L8 E9 F14 V15V7-L11 HydrophobicContact CG1-CD1 4.06Å; V7-L11 HydrophobicContact CG1-CG 4.5Å; V7-L11 WeakPolarHBondContact O-CB 3.26Å; V7-L11 VanDerWaalsContact O-CG 3.23Å; V7-L11 WeakPolarHBondContact O-CG 2.97Å; V7-L11 PolarHBondContact O-N 3.1Å; L8-L11 PolarHBondContact O-N 3.43Å; E9-L11 VanDerWaalsContact C-N 3.34Å; E9-L11 PolarHBondContact O-N 3.42Å; L11-F14 WeakPolarHBondContact O-CB 3.14Å; L11-F14 PolarHBondContact O-N 3.32Å; L11-V15 WeakPolarHBondContact O-CG2 3.47Å; L11-V15 PolarHBondContact O-N 3.31Å
12I93.8Very high89Confident81 Ų8157.4 Ų57.442%0.41531%0.311SS..Hα-helixtrans-60.8-47.1176.2-70.8165.5000110.1L8 E9 F14 V15 I16L8-I12 HydrophobicContact CD1-CD1 4.32Å; L8-I12 HydrophobicContact CG-CD1 3.99Å; L8-I12 VanDerWaalsContact O-CG1 3.3Å; L8-I12 WeakPolarHBondContact O-CG1 3.5Å; L8-I12 PolarHBondContact O-N 3.15Å; E9-I12 PolarHBondContact O-N 3.47Å; I12-F14 VanDerWaalsContact C-N 3.3Å; I12-F14 PolarHBondContact O-N 3.03Å; I12-V15 PolarHBondContact O-N 2.65Å; I12-I16 HydrophobicContact CG2-CD1 3.8Å; I12-I16 HydrophobicContact CG2-CG1 4.45Å; I12-I16 WeakPolarHBondContact O-CG1 3.49Å; I12-I16 PolarHBondContact O-N 3.49Å
13V94.9Very high89.8Confident4 Ų461.9 Ų61.92%0.02433%0.33CS..Hα-helixtrans-60.5-42.2177.11760000111E9 L10 V15 I16 V17 Y43 F46 V47 F50E9-V13 WeakPolarHBondContact O-CG2 3.41Å; E9-V13 PolarHBondContact O-N 3.31Å; L10-V13 PolarHBondContact O-N 3.24Å; V13-V15 PolarHBondContact O-N 2.86Å; V13-I16 PolarHBondContact O-N 3.09Å; V13-V17 HydrophobicContact CG1-CG2 4.31Å; V13-V17 VanDerWaalsContact O-CG2 3.27Å; V13-V17 WeakPolarHBondContact O-CG2 3.43Å; V13-V17 PolarHBondContact O-N 2.95Å; V13-Y43 HydrophobicContact CB-CE2 4.29Å; V13-Y43 HydrophobicContact CG1-CD2 3.92Å; V13-Y43 HydrophobicContact CG1-CE2 4.15Å; V13-F46 HydrophobicContact CG1-CB 3.56Å; V13-V47 HydrophobicContact CB-CG2 4.19Å; V13-V47 HydrophobicContact CG1-CG2 3.75Å; V13-F50 HydrophobicContact CG2-CD2 3.56Å; V13-F50 HydrophobicContact CG2-CE2 3.49Å; V13-F50 VanDerWaalsContact CG2-CE2 3.49Å
14F95.7Very high90.2Very high83 Ų8359.6 Ų59.636%0.36431%0.312SS..Hα-helixtrans-60-44.6176.8-175.7-107.3000112.2L10 L11 I12 V17 L18 I39 Y43L10-F14 WeakPolarHBondContact O-CB 3.43Å; L10-F14 PolarHBondContact O-N 3.28Å; L11-F14 WeakPolarHBondContact O-CB 3.14Å; L11-F14 PolarHBondContact O-N 3.32Å; I12-F14 VanDerWaalsContact C-N 3.3Å; I12-F14 PolarHBondContact O-N 3.03Å; F14-V17 PolarHBondContact O-N 2.93Å; F14-L18 HydrophobicContact CD1-CD1 3.95Å; F14-L18 HydrophobicContact CD1-CG 4.47Å; F14-L18 HydrophobicContact CE1-CD1 3.47Å; F14-L18 VanDerWaalsContact CE1-CD1 3.47Å; F14-L18 HydrophobicContact CE1-CG 4.16Å; F14-L18 HydrophobicContact CZ-CD1 3.91Å; F14-L18 HydrophobicContact CZ-CD2 4.34Å; F14-L18 HydrophobicContact CZ-CG 4.23Å; F14-L18 WeakPolarHBondContact O-CG 3.39Å; F14-L18 PolarHBondContact O-N 3.38Å; F14-I39 HydrophobicContact CD2-CG2 4.47Å; F14-I39 HydrophobicContact CE2-CG2 3.87Å; F14-Y43 HydrophobicContact CB-CD2 4.13Å; F14-Y43 HydrophobicContact CB-CE2 3.87Å; F14-Y43 HydrophobicContact CD2-CD2 4.22Å; F14-Y43 HydrophobicContact CD2-CE2 4.44Å
15V96Very high90.3Very high79 Ų7955 Ų5548%0.47928%0.284SS..Hα-helixtrans-62.7-44.2176173.20000111.2L11 I12 V13 V17 L18 M19L11-V15 WeakPolarHBondContact O-CG2 3.47Å; L11-V15 PolarHBondContact O-N 3.31Å; I12-V15 PolarHBondContact O-N 2.65Å; V13-V15 PolarHBondContact O-N 2.86Å; V15-V17 VanDerWaalsContact C-N 3.32Å; V15-V17 PolarHBondContact O-N 3.3Å; V15-L18 PolarHBondContact O-N 2.79Å; V15-M19 HydrophobicContact CG1-CG 4.39Å; V15-M19 HydrophobicContact CG1-SD 4.02Å; V15-M19 WeakPolarHBondContact O-CG 3.02Å; V15-M19 PolarHBondContact O-N 3.42Å
16I93.6Very high90.2Very high75 Ų7554.4 Ų54.439%0.38528%0.278SS..Hα-helixtrans-58.3-46.5176.4-69.4167.2000110.4I12 V13 L18 M19 V20 F46I12-I16 HydrophobicContact CG2-CD1 3.8Å; I12-I16 HydrophobicContact CG2-CG1 4.45Å; I12-I16 WeakPolarHBondContact O-CG1 3.49Å; I12-I16 PolarHBondContact O-N 3.49Å; V13-I16 PolarHBondContact O-N 3.09Å; I16-L18 VanDerWaalsContact C-N 3.34Å; I16-L18 PolarHBondContact O-N 3.12Å; I16-M19 PolarHBondContact O-N 3.14Å; I16-V20 HydrophobicContact CG2-CG2 4.22Å; I16-V20 VanDerWaalsContact O-CG2 3.28Å; I16-V20 WeakPolarHBondContact O-CG2 3.14Å; I16-V20 PolarHBondContact O-N 3.04Å; I16-F46 HydrophobicContact CG2-CD2 4.35Å; I16-F46 HydrophobicContact CG2-CE2 4.43Å
17V94.9Very high89.9Confident0 Ų059.4 Ų59.40%030%0.295CS..Hα-helixtrans-61.7-42.4178.9170.30000111.4V13 F14 V15 V20 L21 I39 W42 F46V13-V17 HydrophobicContact CG1-CG2 4.31Å; V13-V17 VanDerWaalsContact O-CG2 3.27Å; V13-V17 WeakPolarHBondContact O-CG2 3.43Å; V13-V17 PolarHBondContact O-N 2.95Å; F14-V17 PolarHBondContact O-N 2.93Å; V15-V17 VanDerWaalsContact C-N 3.32Å; V15-V17 PolarHBondContact O-N 3.3Å; V17-V20 PolarHBondContact O-N 3.33Å; V17-L21 VanDerWaalsContact O-CB 3.27Å; V17-L21 WeakPolarHBondContact O-CB 3.15Å; V17-L21 PolarHBondContact O-N 3.34Å; V17-I39 HydrophobicContact CG1-CB 4.5Å; V17-I39 HydrophobicContact CG1-CG2 4.17Å; V17-W42 HydrophobicContact CG1-CB 3.88Å; V17-W42 HydrophobicContact CG2-CB 4.37Å; V17-F46 HydrophobicContact CG2-CB 4.41Å; V17-F46 HydrophobicContact CG2-CD2 3.76Å; V17-F46 HydrophobicContact CG2-CE2 4.35Å; V17-F46 HydrophobicContact CG2-CG 4.28Å
18L93.9Very high89.4Confident45 Ų4565.5 Ų65.524%0.23632%0.316CS..Hα-helixtrans-63-41.8175.4-71.3179.7000112.1F14 V15 I16 L21 H22 W27 I39F14-L18 HydrophobicContact CD1-CD1 3.95Å; F14-L18 HydrophobicContact CD1-CG 4.47Å; F14-L18 HydrophobicContact CE1-CD1 3.47Å; F14-L18 VanDerWaalsContact CE1-CD1 3.47Å; F14-L18 HydrophobicContact CE1-CG 4.16Å; F14-L18 HydrophobicContact CZ-CD1 3.91Å; F14-L18 HydrophobicContact CZ-CD2 4.34Å; F14-L18 HydrophobicContact CZ-CG 4.23Å; F14-L18 WeakPolarHBondContact O-CG 3.39Å; F14-L18 PolarHBondContact O-N 3.38Å; V15-L18 PolarHBondContact O-N 2.79Å; I16-L18 VanDerWaalsContact C-N 3.34Å; I16-L18 PolarHBondContact O-N 3.12Å; L18-L21 PolarHBondContact O-N 3.05Å; L18-H22 VanDerWaalsContact O-CB 3.25Å; L18-H22 WeakPolarHBondContact O-CB 3.23Å; L18-H22 PolarHBondContact O-N 3.34Å; L18-W27 HydrophobicContact CD2-CH2 4.29Å; L18-W27 HydrophobicContact CD2-CZ2 4.25Å; L18-I39 HydrophobicContact CD2-CD1 3.72Å; L18-I39 HydrophobicContact CD2-CG1 4.25Å
19M91.4Very high88.7Confident130 Ų13069.3 Ų69.364%0.6432%0.323SS*.Hα-helixtrans-64.9-45.7177.5-71.7177.166.300111.8V15 I16 H22 Q23V15-M19 HydrophobicContact CG1-CG 4.39Å; V15-M19 HydrophobicContact CG1-SD 4.02Å; V15-M19 WeakPolarHBondContact O-CG 3.02Å; V15-M19 PolarHBondContact O-N 3.42Å; I16-M19 PolarHBondContact O-N 3.14Å; M19-H22 PolarHBondContact O-N 2.98Å; M19-Q23 PolarHBondContact O-N 3.05Å
20V89.7Confident88.3Confident28 Ų2868.8 Ų68.817%0.1732%0.321CS..Hα-helixtrans-65-45.3177.6178.10000109.7I16 V17 H22 Q23 Y24 W42 F434I16-V20 HydrophobicContact CG2-CG2 4.22Å; I16-V20 VanDerWaalsContact O-CG2 3.28Å; I16-V20 WeakPolarHBondContact O-CG2 3.14Å; I16-V20 PolarHBondContact O-N 3.04Å; V17-V20 PolarHBondContact O-N 3.33Å; V20-H22 VanDerWaalsContact C-N 3.3Å; V20-H22 PolarHBondContact O-N 3.36Å; V20-Q23 WeakPolarHBondContact O-CB 3.4Å; V20-Q23 PolarHBondContact O-N 3.12Å; V20-Y24 HydrophobicContact CG1-CD2 3.84Å; V20-Y24 HydrophobicContact CG1-CE2 3.96Å; V20-Y24 VanDerWaalsContact O-CD2 3.27Å; V20-Y24 WeakPolarHBondContact O-CD2 3.27Å; V20-Y24 PolarHBondContact O-N 3.19Å; V20-Y24 VanDerWaalsContact O-N 3.13Å; V20-W42 HydrophobicContact CB-CZ3 4.33Å; V20-W42 HydrophobicContact CG1-CE3 4.32Å; V20-W42 HydrophobicContact CG1-CH2 4.43Å; V20-W42 HydrophobicContact CG1-CZ3 3.73Å; V20-F434 HydrophobicContact CG1-CZ 4.45Å
21L90.6Very high88.1Confident0 Ų072.7 Ų72.70%034%0.338CS..Hα-helixtrans-64.2-37.5177.6-178.961.5000111.9V17 L18 Q23 Y24 G25 T38 I39 W42 L455V17-L21 VanDerWaalsContact O-CB 3.27Å; V17-L21 WeakPolarHBondContact O-CB 3.15Å; V17-L21 PolarHBondContact O-N 3.34Å; L18-L21 PolarHBondContact O-N 3.05Å; L21-Q23 VanDerWaalsContact C-N 3.29Å; L21-Q23 PolarHBondContact O-N 3.39Å; L21-Y24 PolarHBondContact O-N 3.49Å; L21-G25 WeakPolarHBondContact O-CA 3.36Å; L21-G25 PolarHBondContact O-N 3.5Å; L21-T38 HydrophobicContact CD1-CG2 4.1Å; L21-I39 HydrophobicContact CD2-CD1 3.79Å; L21-I39 HydrophobicContact CD2-CG1 3.29Å; L21-W42 HydrophobicContact CB-CE3 4.29Å; L21-W42 HydrophobicContact CB-CZ3 3.91Å; L21-W42 HydrophobicContact CD1-CH2 4.22Å; L21-W42 HydrophobicContact CD1-CZ3 4.07Å; L21-L455 HydrophobicContact CD1-CD1 3.75Å; L21-L455 HydrophobicContact CD1-CD2 3.78Å; L21-L455 HydrophobicContact CD1-CG 4.32Å
22H89.2Confident87.8Confident97 Ų9772.5 Ų72.545%0.44934%0.341SS..Hα-helixtrans-61.7-40.6172.6-172.674.3000110.7L18 M19 V20 Y24 W27 H448L18-H22 VanDerWaalsContact O-CB 3.25Å; L18-H22 WeakPolarHBondContact O-CB 3.23Å; L18-H22 PolarHBondContact O-N 3.34Å; M19-H22 PolarHBondContact O-N 2.98Å; V20-H22 VanDerWaalsContact C-N 3.3Å; V20-H22 PolarHBondContact O-N 3.36Å; H22-Y24 VanDerWaalsContact C-N 3.33Å; H22-Y24 PolarHBondContact O-N 3.39Å; H22-W27 HydrophobicContact CB-CZ2 4.12Å; H22-H448 AromaticContact CD2-CE1 3.86Å; H22-H448 AromaticContact CE1-CE1 3.48Å; H22-H448 PolarHBondContact CE1-CE1 3.35Å; H22-H448 VanDerWaalsContact CE1-CE1 3.48Å; H22-H448 AromaticContact CG-CE1 3.87Å; H22-H448 AromaticContact ND1-CE1 3.64Å; H22-H448 AromaticContact NE2-CE1 3.63Å; H22-H448 AromaticContact NE2-NE2 3.88Å; H22-H448 PolarHBondContact O-CE1 3.19Å; H22-H448 PolarHBondContact O-ND1 3.31Å
23Q86.5Confident87.6Confident100 Ų10071.7 Ų71.747%0.46734%0.339SS..Hα-helixtrans-62.7-37178.8-175.2177.44.700113.5M19 V20 L21 S446 H447 H448M19-Q23 PolarHBondContact O-N 3.05Å; V20-Q23 WeakPolarHBondContact O-CB 3.4Å; V20-Q23 PolarHBondContact O-N 3.12Å; L21-Q23 VanDerWaalsContact C-N 3.29Å; L21-Q23 PolarHBondContact O-N 3.39Å; Q23-S446 CarbonylContact O-C 3.57Å; Q23-H447 PolarHBondContact O-N 3.46Å; Q23-H448 PolarHBondContact O-N 2.93Å
24Y84.6Confident87.4Confident42 Ų4272 Ų7217%0.16534%0.341CS..Hα-helixtrans-100.7-40-173.2-71.8-81.5000114V20 L21 H22 F434 L444 H448 T450V20-Y24 HydrophobicContact CG1-CD2 3.84Å; V20-Y24 HydrophobicContact CG1-CE2 3.96Å; V20-Y24 VanDerWaalsContact O-CD2 3.27Å; V20-Y24 WeakPolarHBondContact O-CD2 3.27Å; V20-Y24 PolarHBondContact O-N 3.19Å; V20-Y24 VanDerWaalsContact O-N 3.13Å; L21-Y24 PolarHBondContact O-N 3.49Å; H22-Y24 VanDerWaalsContact C-N 3.33Å; H22-Y24 PolarHBondContact O-N 3.39Å; Y24-F434 HydrophobicContact CD1-CE1 4.22Å; Y24-F434 AromaticContact CD2-CE1 3.93Å; Y24-F434 HydrophobicContact CD2-CE1 3.93Å; Y24-F434 AromaticContact CE1-CD1 3.87Å; Y24-F434 HydrophobicContact CE1-CD1 3.87Å; Y24-F434 AromaticContact CE1-CE1 3.75Å; Y24-F434 HydrophobicContact CE1-CE1 3.75Å; Y24-F434 HydrophobicContact CE2-CD1 4.22Å; Y24-F434 AromaticContact CE2-CE1 3.44Å; Y24-F434 HydrophobicContact CE2-CE1 3.44Å; Y24-F434 VanDerWaalsContact CE2-CE1 3.44Å; Y24-F434 HydrophobicContact CE2-CZ 4.14Å; Y24-F434 HydrophobicContact CG-CE1 4.32Å; Y24-F434 AromaticContact CZ-CD1 3.64Å; Y24-F434 AromaticContact CZ-CE1 3.33Å; Y24-L444 HydrophobicContact CD1-CB 4.28Å; Y24-L444 HydrophobicContact CE1-CB 4.34Å; Y24-H448 CarbonylContact O-C 3.45Å; Y24-H448 VanDerWaalsContact O-CA 3.3Å; Y24-H448 WeakPolarHBondContact O-CA 3.37Å; Y24-T450 WeakPolarHBondContact O-CB 3.49Å; Y24-T450 PolarHBondContact O-N 2.67Å; Y24-T450 PolarHBondContact O-OG1 3.16Å
25G82Confident87.2Confident0 Ų068.5 Ų68.50%033%0.327CS..  trans-101.1146.9-175.500000114L21 H448L21-G25 WeakPolarHBondContact O-CA 3.36Å; L21-G25 PolarHBondContact O-N 3.5Å; G25-H448 PolarHBondContact O-ND1 3.42Å
26D80Confident87.1Confident29 Ų2969.6 Ų69.616%0.15533%0.329CS..  trans-95.5103.3173.8-168.9-20000111.2K28 R29 Q30 H448D26-K28 PolarHBondContact O-N 2.98Å; D26-K28 VanDerWaalsContact O-N 3.15Å; D26-K28 WeakPolarHBondContact OD1-CB 3.3Å; D26-K28 PolarHBondContact OD1-N 3.25Å; D26-R29 HydrophobicContact CB-CB 4.07Å; D26-R29 PolarHBondContact O-N 3Å; D26-R29 PolarHBondContact OD1-N 2.79Å; D26-R29 WeakPolarHBondContact OD2-CD 3.34Å; D26-R29 WeakPolarHBondContact OD2-CG 3.43Å; D26-R29 IonicContact OD2-NE 2.7Å; D26-Q30 VanDerWaalsContact O-CB 3.23Å; D26-Q30 WeakPolarHBondContact O-CB 3.48Å; D26-Q30 VanDerWaalsContact O-CG 3.25Å; D26-Q30 WeakPolarHBondContact O-CG 3.41Å; D26-Q30 PolarHBondContact O-N 3Å; D26-H448 HydrophobicContact CB-CB 3.83Å
27W77.9Confident87.1Confident121 Ų12166.7 Ų66.746%0.45832%0.316SS..THydrogen-bonded Turntrans-65.2-18-180-61.4-0.9000114.1L18 H22L18-W27 HydrophobicContact CD2-CH2 4.29Å; L18-W27 HydrophobicContact CD2-CZ2 4.25Å; H22-W27 HydrophobicContact CB-CZ2 4.12Å
28K77Confident87Confident202 Ų20266.7 Ų66.788%0.87832%0.316SS*.THydrogen-bonded Turntrans-87.1-31.9179.2-64.5-177.5178.5178.80112.2D26D26-K28 PolarHBondContact O-N 2.98Å; D26-K28 VanDerWaalsContact O-N 3.15Å; D26-K28 WeakPolarHBondContact OD1-CB 3.3Å; D26-K28 PolarHBondContact OD1-N 3.25Å
29R75.4Confident87.1Confident184 Ų18465.6 Ų65.669%0.69431%0.31SS*.THydrogen-bonded Turntrans-94.4-35.9-178.3-69.4-178.2-178.8-165.6-1.9112.9D26D26-R29 HydrophobicContact CB-CB 4.07Å; D26-R29 PolarHBondContact O-N 3Å; D26-R29 PolarHBondContact OD1-N 2.79Å; D26-R29 WeakPolarHBondContact OD2-CD 3.34Å; D26-R29 WeakPolarHBondContact OD2-CG 3.43Å; D26-R29 IonicContact OD2-NE 2.7Å
30Q82.3Confident87.3Confident15 Ų1562 Ų627%0.0730%0.295CS..SBendtrans-76.8147.4-176.8-64.8174.2-15.500111.1D26 V32 T450 E452D26-Q30 VanDerWaalsContact O-CB 3.23Å; D26-Q30 WeakPolarHBondContact O-CB 3.48Å; D26-Q30 VanDerWaalsContact O-CG 3.25Å; D26-Q30 WeakPolarHBondContact O-CG 3.41Å; D26-Q30 PolarHBondContact O-N 3Å; Q30-V32 PolarHBondContact O-N 3.38Å; Q30-T450 PolarHBondContact NE2-O 2.76Å; Q30-E452 WeakPolarHBondContact CA-OE1 3.35Å; Q30-E452 HydrophobicContact CB-CG 4.23Å; Q30-E452 HydrophobicContact CG-CG 3.98Å
31H85.5Confident87.7Confident111 Ų11160.6 Ų60.651%0.51429%0.287SS..  trans-63.6130.4174.4-163.3-86.8000110.6V33 V34 S35 E452H31-V33 PolarHBondContact ND1-N 2.91Å; H31-V33 PolarHBondContact O-N 3.45Å; H31-V34 HydrophobicContact CB-CG2 4.2Å; H31-V34 WeakPolarHBondContact O-CA 3.44Å; H31-V34 WeakPolarHBondContact O-CB 3.37Å; H31-V34 PolarHBondContact O-N 3.02Å; H31-S35 PolarHBondContact O-N 3.34Å; H31-E452 PolarHBondContact N-OE1 3.42Å
32V88.2Confident87.9Confident97 Ų9760.6 Ų60.659%0.58829%0.287SS*.Hα-helixtrans-52.1-38.2-174.5177.60000112.7Q30 V34 S35 L36Q30-V32 PolarHBondContact O-N 3.38Å; V32-V34 VanDerWaalsContact C-N 3.32Å; V32-V34 PolarHBondContact O-N 3.39Å; V32-S35 PolarHBondContact O-N 3.12Å; V32-L36 HydrophobicContact CG1-CD1 3.89Å; V32-L36 HydrophobicContact CG1-CG 4.22Å; V32-L36 WeakPolarHBondContact O-CG 3.1Å; V32-L36 PolarHBondContact O-N 3.04Å
33V90.1Very high88.2Confident64 Ų6458.2 Ų58.239%0.38827%0.274SS..Hα-helixtrans-63.7-35.3178.8-178.80000112.6H31 S37 M115H31-V33 PolarHBondContact ND1-N 2.91Å; H31-V33 PolarHBondContact O-N 3.45Å; V33-S37 WeakPolarHBondContact O-CB 3.5Å; V33-S37 PolarHBondContact O-N 3.16Å; V33-S37 PolarHBondContact O-OG 2.88Å; V33-M115 HydrophobicContact CG1-CE 3.28Å; V33-M115 HydrophobicContact CG1-SD 4.14Å
34V90.9Very high88.6Confident9 Ų954.4 Ų54.46%0.05526%0.256CS..Hα-helixtrans-66.6-46.8176.2171.40000109.7H31 V32 S37 T38 E452 L455 L456H31-V34 HydrophobicContact CB-CG2 4.2Å; H31-V34 WeakPolarHBondContact O-CA 3.44Å; H31-V34 WeakPolarHBondContact O-CB 3.37Å; H31-V34 PolarHBondContact O-N 3.02Å; V32-V34 VanDerWaalsContact C-N 3.32Å; V32-V34 PolarHBondContact O-N 3.39Å; V34-S37 PolarHBondContact O-N 3.26Å; V34-T38 WeakPolarHBondContact O-CB 3.22Å; V34-T38 PolarHBondContact O-N 3.27Å; V34-T38 PolarHBondContact O-OG1 2.86Å; V34-E452 HydrophobicContact CG1-CB 4.15Å; V34-E452 HydrophobicContact CG1-CG 4.22Å; V34-L455 HydrophobicContact CG1-CD2 4.23Å; V34-L456 HydrophobicContact CG1-CD1 4.18Å; V34-L456 HydrophobicContact CG1-CD2 3.95Å; V34-L456 HydrophobicContact CG1-CG 3.86Å; V34-L456 HydrophobicContact CG2-CD1 4.23Å
35S91.7Very high89.1Confident11 Ų1152.4 Ų52.48%0.07725%0.248CC..Hα-helixtrans-60.9-48177.3-51.50000111.5H31 V32 S37 T38 I39H31-S35 PolarHBondContact O-N 3.34Å; V32-S35 PolarHBondContact O-N 3.12Å; S35-S37 PolarHBondContact O-N 3.37Å; S35-T38 PolarHBondContact O-N 3.43Å; S35-I39 VanDerWaalsContact O-CG1 3.28Å; S35-I39 WeakPolarHBondContact O-CG1 3.34Å; S35-I39 PolarHBondContact O-N 3.44Å
36L92.8Very high89.8Confident101 Ų10154 Ų5453%0.52926%0.256SS..Hα-helixtrans-60.6-45.8178.1-72.8173.5000112.4V32 T38 I39 V40V32-L36 HydrophobicContact CG1-CD1 3.89Å; V32-L36 HydrophobicContact CG1-CG 4.22Å; V32-L36 WeakPolarHBondContact O-CG 3.1Å; V32-L36 PolarHBondContact O-N 3.04Å; L36-T38 VanDerWaalsContact C-N 3.28Å; L36-T38 PolarHBondContact O-N 2.99Å; L36-I39 PolarHBondContact O-N 3.45Å; L36-V40 WeakPolarHBondContact O-CG2 3.07Å; L36-V40 PolarHBondContact O-N 3.48Å
37S94.2Very high90.5Very high15 Ų1552.8 Ų52.811%0.10525%0.249CC..Hα-helixtrans-65.1-36.3179.7-54.30000111.6V33 V34 S35 A41 M115V33-S37 WeakPolarHBondContact O-CB 3.5Å; V33-S37 PolarHBondContact O-N 3.16Å; V33-S37 PolarHBondContact O-OG 2.88Å; V34-S37 PolarHBondContact O-N 3.26Å; S35-S37 PolarHBondContact O-N 3.37Å; S37-A41 WeakPolarHBondContact O-CB 3.45Å; S37-A41 PolarHBondContact O-N 3.21Å; S37-M115 PolarHBondContact OG-SD 3.38Å
38T94.1Very high91.3Very high0 Ų047.1 Ų47.10%023%0.227CC..Hα-helixtrans-66.3-44.9174.5-550000111.3L21 V34 S35 L36 V40 A41 W42 L455 A459L21-T38 HydrophobicContact CD1-CG2 4.1Å; V34-T38 WeakPolarHBondContact O-CB 3.22Å; V34-T38 PolarHBondContact O-N 3.27Å; V34-T38 PolarHBondContact O-OG1 2.86Å; S35-T38 PolarHBondContact O-N 3.43Å; L36-T38 VanDerWaalsContact C-N 3.28Å; L36-T38 PolarHBondContact O-N 2.99Å; T38-V40 VanDerWaalsContact C-N 3.32Å; T38-V40 PolarHBondContact O-N 3.24Å; T38-A41 PolarHBondContact O-N 2.82Å; T38-W42 HydrophobicContact CG2-CD2 3.74Å; T38-W42 VanDerWaalsContact CG2-CE2 3.44Å; T38-W42 HydrophobicContact CG2-CE3 4.32Å; T38-W42 HydrophobicContact CG2-CG 4.08Å; T38-W42 HydrophobicContact CG2-CH2 4.39Å; T38-W42 HydrophobicContact CG2-CZ2 3.82Å; T38-W42 WeakPolarHBondContact O-CB 3.42Å; T38-W42 PolarHBondContact O-N 3.21Å; T38-L455 HydrophobicContact CG2-CD1 3.87Å; T38-L455 HydrophobicContact CG2-CD2 3.83Å; T38-L455 HydrophobicContact CG2-CG 3.56Å; T38-L455 WeakPolarHBondContact OG1-CD2 3.46Å; T38-A459 HydrophobicContact CG2-CB 4.39Å
39I95.2Very high92.2Very high22 Ų2238.3 Ų38.311%0.11319%0.191CC..Hα-helixtrans-55.4-49.9176-69.6165.8000109.9F14 V17 L18 L21 S35 L36 A41 W42 Y43F14-I39 HydrophobicContact CD2-CG2 4.47Å; F14-I39 HydrophobicContact CE2-CG2 3.87Å; V17-I39 HydrophobicContact CG1-CB 4.5Å; V17-I39 HydrophobicContact CG1-CG2 4.17Å; L18-I39 HydrophobicContact CD2-CD1 3.72Å; L18-I39 HydrophobicContact CD2-CG1 4.25Å; L21-I39 HydrophobicContact CD2-CD1 3.79Å; L21-I39 HydrophobicContact CD2-CG1 3.29Å; S35-I39 VanDerWaalsContact O-CG1 3.28Å; S35-I39 WeakPolarHBondContact O-CG1 3.34Å; S35-I39 PolarHBondContact O-N 3.44Å; L36-I39 PolarHBondContact O-N 3.45Å; I39-A41 PolarHBondContact O-N 2.05Å; I39-W42 PolarHBondContact O-N 3.3Å; I39-Y43 WeakPolarHBondContact O-CB 3.15Å; I39-Y43 PolarHBondContact O-N 2.86Å
40V96Very high93.1Very high53 Ų5332 Ų3232%0.32117%0.168SC..Hα-helixtrans-61.9-45.2-178.4176.60000111.1L36 T38 F44 T103 L107L36-V40 WeakPolarHBondContact O-CG2 3.07Å; L36-V40 PolarHBondContact O-N 3.48Å; T38-V40 VanDerWaalsContact C-N 3.32Å; T38-V40 PolarHBondContact O-N 3.24Å; V40-F44 HydrophobicContact CG1-CD2 3.88Å; V40-F44 HydrophobicContact CG1-CE2 3.35Å; V40-F44 HydrophobicContact CG1-CZ 3.98Å; V40-F44 WeakPolarHBondContact O-CD2 3.39Å; V40-F44 WeakPolarHBondContact O-CG 3.35Å; V40-F44 PolarHBondContact O-N 3.28Å; V40-F44 VanDerWaalsContact O-N 3.11Å; V40-T103 HydrophobicContact CG1-CG2 4.21Å; V40-L107 HydrophobicContact CB-CD1 4.32Å; V40-L107 HydrophobicContact CG1-CD1 3.79Å
41A96.6Very high93.6Very high0 Ų031.2 Ų31.20%017%0.165CC..Hα-helixtrans-62.4-49.1178.900000112.7S37 T38 I39 F44 A45 L107 L112 A459 C463S37-A41 WeakPolarHBondContact O-CB 3.45Å; S37-A41 PolarHBondContact O-N 3.21Å; T38-A41 PolarHBondContact O-N 2.82Å; I39-A41 PolarHBondContact O-N 2.05Å; A41-F44 PolarHBondContact O-N 3.43Å; A41-A45 PolarHBondContact O-N 3.03Å; A41-L107 HydrophobicContact CB-CD1 4.3Å; A41-L112 HydrophobicContact CB-CD1 4.28Å; A41-A459 HydrophobicContact CB-CB 3.62Å; A41-C463 VanDerWaalsContact CB-SG 3.54Å
42W95.6Very high94.1Very high0 Ų026 Ų260%014%0.141CC..Hα-helixtrans-67-38.9-180-71.211.9000111.8V17 V20 L21 T38 I39 A45 F46 L455 S458 F462V17-W42 HydrophobicContact CG1-CB 3.88Å; V17-W42 HydrophobicContact CG2-CB 4.37Å; V20-W42 HydrophobicContact CB-CZ3 4.33Å; V20-W42 HydrophobicContact CG1-CE3 4.32Å; V20-W42 HydrophobicContact CG1-CH2 4.43Å; V20-W42 HydrophobicContact CG1-CZ3 3.73Å; L21-W42 HydrophobicContact CB-CE3 4.29Å; L21-W42 HydrophobicContact CB-CZ3 3.91Å; L21-W42 HydrophobicContact CD1-CH2 4.22Å; L21-W42 HydrophobicContact CD1-CZ3 4.07Å; T38-W42 HydrophobicContact CG2-CD2 3.74Å; T38-W42 VanDerWaalsContact CG2-CE2 3.44Å; T38-W42 HydrophobicContact CG2-CE3 4.32Å; T38-W42 HydrophobicContact CG2-CG 4.08Å; T38-W42 HydrophobicContact CG2-CH2 4.39Å; T38-W42 HydrophobicContact CG2-CZ2 3.82Å; T38-W42 WeakPolarHBondContact O-CB 3.42Å; T38-W42 PolarHBondContact O-N 3.21Å; I39-W42 PolarHBondContact O-N 3.3Å; W42-A45 PolarHBondContact O-N 3.27Å; W42-F46 WeakPolarHBondContact O-CB 3.45Å; W42-F46 WeakPolarHBondContact O-CD1 3.48Å; W42-F46 WeakPolarHBondContact O-CG 3.29Å; W42-F46 PolarHBondContact O-N 3.39Å; W42-L455 HydrophobicContact CH2-CD1 3.63Å; W42-L455 HydrophobicContact CZ2-CD1 3.55Å; W42-S458 WeakPolarHBondContact CZ2-OG 3.48Å; W42-S458 PolarHBondContact NE1-OG 3.03Å; W42-F462 AromaticContact CD1-CD2 3.39Å; W42-F462 AromaticContact CD1-CE2 3.9Å; W42-F462 HydrophobicContact CD2-CE2 4.36Å; W42-F462 AromaticContact CG-CD2 4Å; W42-F462 HydrophobicContact CG-CD2 4Å; W42-F462 HydrophobicContact CG-CE2 4.27Å; W42-F462 AromaticContact NE1-CD2 3.53Å; W42-F462 AromaticContact NE1-CE2 3.68Å
43Y96.6Very high94.4Very high47 Ų4721.4 Ų21.418%0.18411%0.113CC..Hα-helixtrans-57.3-52.4175.3177.2-106.8000111.9L10 V13 F14 I39 A45 F46 V47L10-Y43 WeakPolarHBondContact CB-OH 3.48Å; L10-Y43 WeakPolarHBondContact CD2-OH 3.11Å; L10-Y43 WeakPolarHBondContact O-CE2 3.32Å; V13-Y43 HydrophobicContact CB-CE2 4.29Å; V13-Y43 HydrophobicContact CG1-CD2 3.92Å; V13-Y43 HydrophobicContact CG1-CE2 4.15Å; F14-Y43 HydrophobicContact CB-CD2 4.13Å; F14-Y43 HydrophobicContact CB-CE2 3.87Å; F14-Y43 HydrophobicContact CD2-CD2 4.22Å; F14-Y43 HydrophobicContact CD2-CE2 4.44Å; I39-Y43 WeakPolarHBondContact O-CB 3.15Å; I39-Y43 PolarHBondContact O-N 2.86Å; Y43-A45 VanDerWaalsContact C-N 3.28Å; Y43-A45 PolarHBondContact O-N 3.04Å; Y43-F46 PolarHBondContact O-N 3.05Å; Y43-F46 VanDerWaalsContact O-N 3.12Å; Y43-V47 HydrophobicContact CD1-CG2 4.18Å; Y43-V47 HydrophobicContact CD2-CG2 3.89Å; Y43-V47 HydrophobicContact CE1-CG2 3.87Å; Y43-V47 HydrophobicContact CE2-CG2 3.53Å; Y43-V47 HydrophobicContact CG-CG2 4.2Å; Y43-V47 WeakPolarHBondContact O-CB 3.31Å; Y43-V47 WeakPolarHBondContact O-CG2 3.15Å; Y43-V47 PolarHBondContact O-N 3.48Å
44F94.9Very high94.5Very high20 Ų2018.5 Ų18.59%0.08810%0.095CC..Hα-helixtrans-62.3-35.7178.1-68.5-30.1000113.4V40 A41 F46 V99 V100 T103V40-F44 HydrophobicContact CG1-CD2 3.88Å; V40-F44 HydrophobicContact CG1-CE2 3.35Å; V40-F44 HydrophobicContact CG1-CZ 3.98Å; V40-F44 WeakPolarHBondContact O-CD2 3.39Å; V40-F44 WeakPolarHBondContact O-CG 3.35Å; V40-F44 PolarHBondContact O-N 3.28Å; V40-F44 VanDerWaalsContact O-N 3.11Å; A41-F44 PolarHBondContact O-N 3.43Å; F44-F46 VanDerWaalsContact C-N 3.31Å; F44-F46 PolarHBondContact O-N 3.42Å; F44-V99 HydrophobicContact CE1-CG1 4.48Å; F44-V99 HydrophobicContact CZ-CG1 4.09Å; F44-V100 HydrophobicContact CB-CG1 4.13Å; F44-V100 HydrophobicContact CD1-CB 4.35Å; F44-V100 HydrophobicContact CD1-CG1 4.48Å; F44-V100 HydrophobicContact CD1-CG2 3.78Å; F44-V100 HydrophobicContact CE1-CG2 4.13Å; F44-V100 HydrophobicContact CG-CG1 4.39Å; F44-V100 HydrophobicContact CG-CG2 4.45Å; F44-T103 HydrophobicContact CD2-CG2 4.38Å; F44-T103 HydrophobicContact CE2-CG2 3.56Å; F44-T103 HydrophobicContact CZ-CG2 4.42Å
45A95.2Very high94.6Very high0 Ų018 Ų180%09%0.092CC..Hα-helixtrans-70.5-25176.400000114.1A41 W42 Y43 I48 Y430 F462 T466A41-A45 PolarHBondContact O-N 3.03Å; W42-A45 PolarHBondContact O-N 3.27Å; Y43-A45 VanDerWaalsContact C-N 3.28Å; Y43-A45 PolarHBondContact O-N 3.04Å; A45-I48 WeakPolarHBondContact O-CG1 3.35Å; A45-Y430 PolarHBondContact O-OH 3.16Å; A45-Y430 VanDerWaalsContact O-OH 3.05Å; A45-F462 HydrophobicContact CB-CB 3.69Å; A45-F462 HydrophobicContact CB-CG 4.39Å; A45-T466 VanDerWaalsContact CA-OG1 3.3Å; A45-T466 WeakPolarHBondContact CA-OG1 3.47Å; A45-T466 WeakPolarHBondContact CB-OG1 3.44Å
46F95.1Very high94.7Very high34 Ų3417.5 Ų17.515%0.1499%0.089CC..Hα-helixtrans-94.6-28.2-178.8-73.618.1000111.8V13 I16 V17 W42 Y43 F44 I48 V49 Y430 F462V13-F46 HydrophobicContact CG1-CB 3.56Å; I16-F46 HydrophobicContact CG2-CD2 4.35Å; I16-F46 HydrophobicContact CG2-CE2 4.43Å; V17-F46 HydrophobicContact CG2-CB 4.41Å; V17-F46 HydrophobicContact CG2-CD2 3.76Å; V17-F46 HydrophobicContact CG2-CE2 4.35Å; V17-F46 HydrophobicContact CG2-CG 4.28Å; W42-F46 WeakPolarHBondContact O-CB 3.45Å; W42-F46 WeakPolarHBondContact O-CD1 3.48Å; W42-F46 WeakPolarHBondContact O-CG 3.29Å; W42-F46 PolarHBondContact O-N 3.39Å; Y43-F46 PolarHBondContact O-N 3.05Å; Y43-F46 VanDerWaalsContact O-N 3.12Å; F44-F46 VanDerWaalsContact C-N 3.31Å; F44-F46 PolarHBondContact O-N 3.42Å; F46-I48 PolarHBondContact O-N 2.8Å; F46-V49 PolarHBondContact O-N 2.63Å; F46-Y430 HydrophobicContact CD1-CD2 4.49Å; F46-Y430 AromaticContact CD1-CE2 3.78Å; F46-Y430 HydrophobicContact CD1-CE2 3.78Å; F46-Y430 AromaticContact CE1-CD2 3.85Å; F46-Y430 HydrophobicContact CE1-CD2 3.85Å; F46-Y430 AromaticContact CE1-CE2 3.53Å; F46-Y430 HydrophobicContact CE1-CE2 3.53Å; F46-F462 HydrophobicContact CE1-CD2 4.44Å; F46-F462 HydrophobicContact CE1-CE2 4.24Å
47V95.3Very high94.7Very high3 Ų312.7 Ų12.72%0.0186%0.063CC..Hα-helixtrans-62.3-28.9178.1162.70000112.3L10 V13 Y43 V49 F50 L51L10-V47 HydrophobicContact CD2-CB 4.27Å; L10-V47 HydrophobicContact CD2-CG1 3.5Å; L10-V47 VanDerWaalsContact CD2-CG1 3.5Å; L10-V47 HydrophobicContact CD2-CG2 3.68Å; V13-V47 HydrophobicContact CB-CG2 4.19Å; V13-V47 HydrophobicContact CG1-CG2 3.75Å; Y43-V47 HydrophobicContact CD1-CG2 4.18Å; Y43-V47 HydrophobicContact CD2-CG2 3.89Å; Y43-V47 HydrophobicContact CE1-CG2 3.87Å; Y43-V47 HydrophobicContact CE2-CG2 3.53Å; Y43-V47 HydrophobicContact CG-CG2 4.2Å; Y43-V47 WeakPolarHBondContact O-CB 3.31Å; Y43-V47 WeakPolarHBondContact O-CG2 3.15Å; Y43-V47 PolarHBondContact O-N 3.48Å; V47-V49 PolarHBondContact O-N 3.39Å; V47-V49 VanDerWaalsContact O-N 3.09Å; V47-F50 PolarHBondContact O-N 2.92Å; V47-L51 HydrophobicContact CG1-CB 3.87Å; V47-L51 HydrophobicContact CG1-CD1 3.5Å; V47-L51 VanDerWaalsContact CG1-CD1 3.5Å; V47-L51 HydrophobicContact CG1-CG 4.33Å; V47-L51 WeakPolarHBondContact O-CB 3.26Å; V47-L51 PolarHBondContact O-N 3.39Å
48I94.9Very high94.6Very high1 Ų112.6 Ų12.61%0.0056%0.061CC..Hα-helixtrans-58.3-26.4-179.769.6-179.5000113.6A45 F46 F50 L52 W97 T466 M469A45-I48 WeakPolarHBondContact O-CG1 3.35Å; F46-I48 PolarHBondContact O-N 2.8Å; I48-F50 PolarHBondContact O-N 3.21Å; I48-L52 VanDerWaalsContact O-CB 3.31Å; I48-L52 WeakPolarHBondContact O-CB 3.36Å; I48-L52 PolarHBondContact O-N 3.06Å; I48-L52 VanDerWaalsContact O-N 3.08Å; I48-W97 HydrophobicContact CG2-CH2 4.26Å; I48-W97 HydrophobicContact CG2-CZ3 4.16Å; I48-T466 HydrophobicContact CD1-CG2 4.23Å; I48-T466 HydrophobicContact CG2-CG2 3.53Å; I48-M469 HydrophobicContact CD1-CB 4.12Å
49V95.7Very high94.5Very high18 Ų1812.6 Ų12.611%0.1096%0.061CC..Hα-helixtrans-59.3-29.1178.3176.40000111.5F46 V47 P53 I419 I422 M423F46-V49 PolarHBondContact O-N 2.63Å; V47-V49 PolarHBondContact O-N 3.39Å; V47-V49 VanDerWaalsContact O-N 3.09Å; V49-P53 WeakPolarHBondContact O-CD 3.22Å; V49-P53 VanDerWaalsContact O-CG 3.25Å; V49-P53 WeakPolarHBondContact O-CG 3.02Å; V49-I419 HydrophobicContact CG1-CG2 4.15Å; V49-I422 HydrophobicContact CG2-CG2 4.2Å; V49-M423 HydrophobicContact CG1-CB 4.04Å
50F93.8Very high94.3Very high50 Ų5012.2 Ų12.222%0.2196%0.059CC..Hα-helixtrans-106.9-36.9178-61-75.1000112.4E9 V13 V47 I48 P53 L54 I419E9-F50 HydrophobicContact CB-CB 4.32Å; E9-F50 HydrophobicContact CB-CD1 4.38Å; E9-F50 HydrophobicContact CB-CG 4.15Å; E9-F50 HydrophobicContact CG-CD1 4.08Å; E9-F50 HydrophobicContact CG-CG 4.34Å; V13-F50 HydrophobicContact CG2-CD2 3.56Å; V13-F50 HydrophobicContact CG2-CE2 3.49Å; V13-F50 VanDerWaalsContact CG2-CE2 3.49Å; V47-F50 PolarHBondContact O-N 2.92Å; I48-F50 PolarHBondContact O-N 3.21Å; F50-P53 WeakPolarHBondContact O-CD 3.37Å; F50-L54 PolarHBondContact O-N 3.33Å; F50-I419 HydrophobicContact CD1-CD1 4.11Å; F50-I419 HydrophobicContact CD1-CG1 4.44Å; F50-I419 HydrophobicContact CE1-CD1 4.41Å; F50-I419 HydrophobicContact CE1-CG2 4.45Å
51L93.8Very high94.1Very high0 Ų010.4 Ų10.40%05%0.047CC..Hα-helixtrans-71.4-38.1-173.5-159.8160.5000112.3V47 D55 L93 L96 W97 V100V47-L51 HydrophobicContact CG1-CB 3.87Å; V47-L51 HydrophobicContact CG1-CD1 3.5Å; V47-L51 VanDerWaalsContact CG1-CD1 3.5Å; V47-L51 HydrophobicContact CG1-CG 4.33Å; V47-L51 WeakPolarHBondContact O-CB 3.26Å; V47-L51 PolarHBondContact O-N 3.39Å; L51-D55 PolarHBondContact O-N 2.97Å; L51-D55 VanDerWaalsContact O-N 3.1Å; L51-L93 HydrophobicContact CD2-CD1 3.74Å; L51-L93 HydrophobicContact CG-CD1 4.17Å; L51-L96 HydrophobicContact CD1-CD2 3.28Å; L51-L96 HydrophobicContact CD1-CG 3.61Å; L51-L96 HydrophobicContact CG-CD2 4.04Å; L51-W97 HydrophobicContact CD2-CD2 3.28Å; L51-W97 HydrophobicContact CD2-CE3 3.77Å; L51-W97 HydrophobicContact CD2-CG 3.88Å; L51-W97 HydrophobicContact CD2-CH2 3.63Å; L51-W97 HydrophobicContact CD2-CZ2 3.15Å; L51-W97 HydrophobicContact CD2-CZ3 3.93Å; L51-W97 VanDerWaalsContact CD2-NE1 3.31Å; L51-W97 HydrophobicContact CG-CZ2 4.46Å; L51-V100 HydrophobicContact CD1-CG2 4.32Å
52L94.8Very high93.8Very high1 Ų114.7 Ų14.71%0.0056%0.063CC..Hα-helixtrans-71.1-45.4179.3-173.366.4000113I48 L54 D55 V56 W97 I422 C470 F473 L474I48-L52 VanDerWaalsContact O-CB 3.31Å; I48-L52 WeakPolarHBondContact O-CB 3.36Å; I48-L52 PolarHBondContact O-N 3.06Å; I48-L52 VanDerWaalsContact O-N 3.08Å; L52-L54 VanDerWaalsContact C-N 3.26Å; L52-L54 PolarHBondContact O-N 3.32Å; L52-D55 WeakPolarHBondContact O-CB 3.16Å; L52-D55 PolarHBondContact O-N 2.92Å; L52-D55 VanDerWaalsContact O-N 3.12Å; L52-V56 WeakPolarHBondContact O-CG2 3.46Å; L52-V56 PolarHBondContact O-N 3.34Å; L52-W97 HydrophobicContact CB-CH2 4.25Å; L52-W97 HydrophobicContact CB-CZ2 4.17Å; L52-W97 HydrophobicContact CD1-CH2 4.23Å; L52-W97 HydrophobicContact CD1-CZ2 3.82Å; L52-I422 HydrophobicContact CB-CD1 4.05Å; L52-I422 HydrophobicContact CD2-CD1 3.85Å; L52-I422 HydrophobicContact CG-CD1 4.18Å; L52-C470 HydrophobicContact CD1-CB 4.3Å; L52-C470 HydrophobicContact CD2-CB 3.88Å; L52-F473 HydrophobicContact CD2-CB 4.08Å; L52-F473 HydrophobicContact CD2-CD1 3.61Å; L52-F473 HydrophobicContact CD2-CG 4.21Å; L52-F473 HydrophobicContact CG-CD1 4.17Å; L52-L474 HydrophobicContact CD1-CD1 4.2Å; L52-L474 HydrophobicContact CD1-CD2 4.07Å; L52-L474 HydrophobicContact CD1-CG 4.14Å
53P95Very high93.4Very high0 Ų015.5 Ų15.50%07%0.067CC..Hα-helixtrans-53.1-42.6171-32.139.7000113.6V49 F50 D55 V56 V57 E415 I419 I422V49-P53 WeakPolarHBondContact O-CD 3.22Å; V49-P53 VanDerWaalsContact O-CG 3.25Å; V49-P53 WeakPolarHBondContact O-CG 3.02Å; F50-P53 WeakPolarHBondContact O-CD 3.37Å; P53-D55 PolarHBondContact O-N 3.43Å; P53-V56 PolarHBondContact O-N 3.38Å; P53-V57 WeakPolarHBondContact O-CG2 3.43Å; P53-V57 PolarHBondContact O-N 3.44Å; P53-E415 HydrophobicContact CB-CG 4.23Å; P53-I419 HydrophobicContact CB-CG1 3.99Å; P53-I419 HydrophobicContact CG-CG1 3.68Å; P53-I422 HydrophobicContact CG-CD1 3.68Å
54L92.8Very high93.1Very high3 Ų314.6 Ų14.62%0.0167%0.068CC..Hα-helixtrans-62.6-42177-178.556.6000112L6 F50 L52 L58 M88L6-L54 HydrophobicContact CD1-CD2 3.93Å; L6-L54 HydrophobicContact CD2-CD2 4.25Å; L6-L54 HydrophobicContact CG-CD2 4.46Å; F50-L54 PolarHBondContact O-N 3.33Å; L52-L54 VanDerWaalsContact C-N 3.26Å; L52-L54 PolarHBondContact O-N 3.32Å; L54-L58 HydrophobicContact CD1-CD1 4.03Å; L54-L58 HydrophobicContact CD1-CG 4.24Å; L54-L58 HydrophobicContact CG-CD1 4.07Å; L54-L58 WeakPolarHBondContact O-CB 3.39Å; L54-L58 WeakPolarHBondContact O-CG 3.48Å; L54-L58 PolarHBondContact O-N 3.39Å; L54-M88 HydrophobicContact CD2-CE 3.37Å; L54-M88 HydrophobicContact CD2-SD 4.19Å; L54-M88 HydrophobicContact CG-CE 4.03Å
55D93.1Very high92.8Very high0 Ų016.1 Ų16.10%08%0.079CC..Hα-helixtrans-63.4-42.3175-162.2-0.6000112L51 L52 P53 L58 T59 R62 L93 W97 A494 Y495L51-D55 PolarHBondContact O-N 2.97Å; L51-D55 VanDerWaalsContact O-N 3.1Å; L52-D55 WeakPolarHBondContact O-CB 3.16Å; L52-D55 PolarHBondContact O-N 2.92Å; L52-D55 VanDerWaalsContact O-N 3.12Å; P53-D55 PolarHBondContact O-N 3.43Å; D55-L58 PolarHBondContact O-N 3.18Å; D55-T59 VanDerWaalsContact O-CB 3.31Å; D55-T59 WeakPolarHBondContact O-CB 3.3Å; D55-T59 PolarHBondContact O-N 2.96Å; D55-T59 PolarHBondContact O-OG1 2.94Å; D55-T59 PolarHBondContact OD1-OG1 2.88Å; D55-R62 IonicContact OD1-NH2 3.84Å; D55-L93 HydrophobicContact CB-CD2 3.81Å; D55-L93 WeakPolarHBondContact OD1-CD2 3.04Å; D55-W97 PolarHBondContact OD2-NE1 3.46Å; D55-A494 WeakPolarHBondContact OD1-CB 3.26Å; D55-A494 PolarHBondContact OD1-N 3.26Å; D55-A494 PolarHBondContact OD2-N 2.84Å; D55-A494 VanDerWaalsContact OD2-N 3.13Å; D55-Y495 WeakPolarHBondContact OD2-CB 3.35Å; D55-Y495 PolarHBondContact OD2-N 3.41Å
56V93.7Very high92.4Very high0 Ų018.7 Ų18.70%09%0.092CC..Hα-helixtrans-61.3-49.1177.5171.30000110.9L52 P53 L58 T59 F60 I414 F473 L474 I477L52-V56 WeakPolarHBondContact O-CG2 3.46Å; L52-V56 PolarHBondContact O-N 3.34Å; P53-V56 PolarHBondContact O-N 3.38Å; V56-L58 PolarHBondContact O-N 3.12Å; V56-T59 PolarHBondContact O-N 3.15Å; V56-F60 HydrophobicContact CG1-CD2 3.74Å; V56-F60 HydrophobicContact CG1-CE2 3.49Å; V56-F60 VanDerWaalsContact CG1-CE2 3.49Å; V56-F60 VanDerWaalsContact O-CD2 3.27Å; V56-F60 WeakPolarHBondContact O-CD2 3.49Å; V56-F60 PolarHBondContact O-N 3Å; V56-I414 HydrophobicContact CG1-CG2 4Å; V56-F473 HydrophobicContact CG2-CE1 4.28Å; V56-L474 HydrophobicContact CG2-CD2 3.74Å; V56-I477 HydrophobicContact CB-CD1 4.42Å; V56-I477 HydrophobicContact CG1-CD1 3.69Å; V56-I477 HydrophobicContact CG2-CD1 3.76Å
57V93.3Very high91.9Very high0 Ų021.8 Ų21.80%011%0.107CC..Hα-helixtrans-59.5-46.8177.5163.40000111.9P53 T59 F60 H61 P84 Y411 I414 E415P53-V57 WeakPolarHBondContact O-CG2 3.43Å; P53-V57 PolarHBondContact O-N 3.44Å; V57-T59 VanDerWaalsContact C-N 3.26Å; V57-T59 PolarHBondContact O-N 3.16Å; V57-F60 PolarHBondContact O-N 2.84Å; V57-H61 PolarHBondContact O-N 3.35Å; V57-P84 HydrophobicContact CG1-CB 3.52Å; V57-P84 HydrophobicContact CG1-CG 3.75Å; V57-Y411 HydrophobicContact CG1-CD1 3.9Å; V57-Y411 HydrophobicContact CG1-CG 4.08Å; V57-I414 HydrophobicContact CG2-CB 4.06Å; V57-I414 HydrophobicContact CG2-CG2 3.83Å; V57-E415 HydrophobicContact CG2-CB 4Å
58L91.7Very high91.5Very high12 Ų1224.6 Ų24.66%0.06312%0.117CC..Hα-helixtrans-65.5-31.9178.6-69.9172.6000112L54 D55 V56 R62 P84 Y87 M88 L93L54-L58 HydrophobicContact CD1-CD1 4.03Å; L54-L58 HydrophobicContact CD1-CG 4.24Å; L54-L58 HydrophobicContact CG-CD1 4.07Å; L54-L58 WeakPolarHBondContact O-CB 3.39Å; L54-L58 WeakPolarHBondContact O-CG 3.48Å; L54-L58 PolarHBondContact O-N 3.39Å; D55-L58 PolarHBondContact O-N 3.18Å; V56-L58 PolarHBondContact O-N 3.12Å; L58-R62 WeakPolarHBondContact O-CG 3.47Å; L58-R62 PolarHBondContact O-N 3.17Å; L58-P84 HydrophobicContact CD2-CG 4.15Å; L58-Y87 HydrophobicContact CD2-CD2 3.46Å; L58-Y87 VanDerWaalsContact CD2-CD2 3.46Å; L58-Y87 HydrophobicContact CD2-CE2 3.94Å; L58-Y87 HydrophobicContact CD2-CG 4.29Å; L58-M88 HydrophobicContact CD1-CE 4.24Å; L58-L93 HydrophobicContact CD1-CD2 3.92Å
59T91.6Very high91Very high0 Ų028.4 Ų28.40%014%0.138CC..Hα-helixtrans-70.8-44.7176.1-55.30000111.4D55 V56 V57 H61 R62 L63 M479 T493D55-T59 VanDerWaalsContact O-CB 3.31Å; D55-T59 WeakPolarHBondContact O-CB 3.3Å; D55-T59 PolarHBondContact O-N 2.96Å; D55-T59 PolarHBondContact O-OG1 2.94Å; D55-T59 PolarHBondContact OD1-OG1 2.88Å; V56-T59 PolarHBondContact O-N 3.15Å; V57-T59 VanDerWaalsContact C-N 3.26Å; V57-T59 PolarHBondContact O-N 3.16Å; T59-H61 VanDerWaalsContact C-N 3.3Å; T59-H61 PolarHBondContact O-N 3.13Å; T59-R62 WeakPolarHBondContact O-CB 3.26Å; T59-R62 PolarHBondContact O-N 2.84Å; T59-R62 VanDerWaalsContact O-N 3.12Å; T59-R62 PolarHBondContact OG1-NH2 3.46Å; T59-L63 WeakPolarHBondContact O-CG 3.38Å; T59-L63 PolarHBondContact O-N 3.45Å; T59-M479 HydrophobicContact CG2-CE 3.45Å; T59-M479 VanDerWaalsContact CG2-CE 3.45Å; T59-T493 HydrophobicContact CG2-CG2 4.23Å
60F91.6Very high90.4Very high14 Ų1430 Ų306%0.06115%0.15CC..Hα-helixtrans-60.7-38.8173-79.3-61.9000113V56 V57 R62 L63 C64 V402 H403 A406 Y411 I414 M479V56-F60 HydrophobicContact CG1-CD2 3.74Å; V56-F60 HydrophobicContact CG1-CE2 3.49Å; V56-F60 VanDerWaalsContact CG1-CE2 3.49Å; V56-F60 VanDerWaalsContact O-CD2 3.27Å; V56-F60 WeakPolarHBondContact O-CD2 3.49Å; V56-F60 PolarHBondContact O-N 3Å; V57-F60 PolarHBondContact O-N 2.84Å; F60-R62 PolarHBondContact O-N 3.04Å; F60-L63 HydrophobicContact CD1-CD1 4.22Å; F60-L63 PolarHBondContact O-N 3.1Å; F60-C64 PolarHBondContact O-N 3.24Å; F60-V402 HydrophobicContact CD2-CG1 4.31Å; F60-V402 HydrophobicContact CE2-CG1 3.28Å; F60-V402 HydrophobicContact CZ-CG1 3.59Å; F60-H403 AromaticContact CE1-CE1 3.77Å; F60-H403 AromaticContact CE1-ND1 3.74Å; F60-H403 AromaticContact CZ-CE1 3.92Å; F60-A406 HydrophobicContact CB-CB 4.38Å; F60-A406 HydrophobicContact CD1-CB 3.58Å; F60-A406 HydrophobicContact CD2-CB 4.4Å; F60-A406 HydrophobicContact CE1-CB 3.88Å; F60-A406 HydrophobicContact CG-CB 3.87Å; F60-A406 HydrophobicContact CZ-CB 4.41Å; F60-Y411 HydrophobicContact CB-CE1 4.27Å; F60-I414 HydrophobicContact CD2-CD1 4.18Å; F60-I414 HydrophobicContact CD2-CG2 4.44Å; F60-M479 HydrophobicContact CD1-CE 4.46Å; F60-M479 HydrophobicContact CD2-CE 4.47Å; F60-M479 HydrophobicContact CE1-CE 4.19Å; F60-M479 HydrophobicContact CE1-SD 3.73Å; F60-M479 HydrophobicContact CE2-CE 4.19Å; F60-M479 HydrophobicContact CE2-CG 4.3Å; F60-M479 HydrophobicContact CE2-SD 4.2Å; F60-M479 HydrophobicContact CZ-CE 4.04Å; F60-M479 HydrophobicContact CZ-CG 3.9Å; F60-M479 HydrophobicContact CZ-SD 3.54Å; F60-M479 VanDerWaalsContact CZ-SD 3.54Å
61H90.8Very high89.8Confident15 Ų1530.4 Ų30.47%0.06916%0.156CC..Hα-helixtrans-61.4-43.2173.6175.4-94.6000111.9V57 T59 C64 V65 H82 Y87 Y411V57-H61 PolarHBondContact O-N 3.35Å; T59-H61 VanDerWaalsContact C-N 3.3Å; T59-H61 PolarHBondContact O-N 3.13Å; H61-C64 WeakPolarHBondContact O-CB 3.45Å; H61-C64 PolarHBondContact O-N 2.8Å; H61-V65 WeakPolarHBondContact O-CG2 3.45Å; H61-V65 PolarHBondContact O-N 3.09Å; H61-V65 VanDerWaalsContact O-N 3.07Å; H61-H82 PolarHBondContact CD2-O 3.38Å; H61-Y87 AromaticContact CE1-CE2 3.58Å; H61-Y87 AromaticContact ND1-CE2 3.42Å; H61-Y87 WeakPolarHBondContact ND1-CE2 3.39Å; H61-Y411 HydrophobicContact CB-CE1 4.14Å
62R89.7Confident89.1Confident90 Ų9033.6 Ų33.634%0.3417%0.173SC..Hα-helixtrans-61.5-45.3175.2-75.1-176.6-67.9-146.8-1.7112D55 L58 T59 F60 C64 V65 I66D55-R62 IonicContact OD1-NH2 3.84Å; L58-R62 WeakPolarHBondContact O-CG 3.47Å; L58-R62 PolarHBondContact O-N 3.17Å; T59-R62 WeakPolarHBondContact O-CB 3.26Å; T59-R62 PolarHBondContact O-N 2.84Å; T59-R62 VanDerWaalsContact O-N 3.12Å; T59-R62 PolarHBondContact OG1-NH2 3.46Å; F60-R62 PolarHBondContact O-N 3.04Å; R62-C64 VanDerWaalsContact C-N 3.32Å; R62-C64 PolarHBondContact O-N 3.46Å; R62-V65 PolarHBondContact O-N 3.07Å; R62-I66 WeakPolarHBondContact O-CG1 3.2Å; R62-I66 PolarHBondContact O-N 2.98Å
63L88.5Confident88.1Confident17 Ų1740.4 Ų40.49%0.08921%0.209CC..Hα-helixtrans-58.2-43.8175.7-72.1170.4000111.5T59 F60 V65 I66 H67 M479 T491T59-L63 WeakPolarHBondContact O-CG 3.38Å; T59-L63 PolarHBondContact O-N 3.45Å; F60-L63 HydrophobicContact CD1-CD1 4.22Å; F60-L63 PolarHBondContact O-N 3.1Å; L63-V65 PolarHBondContact O-N 3.14Å; L63-I66 PolarHBondContact O-N 3.14Å; L63-H67 WeakPolarHBondContact O-CB 3.27Å; L63-H67 PolarHBondContact O-N 3.14Å; L63-M479 HydrophobicContact CD1-CE 4.11Å; L63-M479 HydrophobicContact CD1-SD 4.43Å; L63-T491 WeakPolarHBondContact CD2-OG1 3.49Å; L63-T491 WeakPolarHBondContact CG-OG1 3.39Å
64C89.7Confident87.2Confident29 Ų2948.3 Ų48.320%0.19624%0.244CC..Hα-helixtrans-56.8-49.9174.9-174.90000111.4F60 H61 R62 I66 H67 Y68 C81 Q409F60-C64 PolarHBondContact O-N 3.24Å; H61-C64 WeakPolarHBondContact O-CB 3.45Å; H61-C64 PolarHBondContact O-N 2.8Å; R62-C64 VanDerWaalsContact C-N 3.32Å; R62-C64 PolarHBondContact O-N 3.46Å; C64-I66 VanDerWaalsContact C-N 3.31Å; C64-I66 PolarHBondContact O-N 3.01Å; C64-H67 PolarHBondContact O-N 3.31Å; C64-Y68 VanDerWaalsContact O-CB 3.29Å; C64-Y68 WeakPolarHBondContact O-CB 3.19Å; C64-Y68 PolarHBondContact O-N 3.3Å; C64-C81 HydrophobicContact CB-CB 3.96Å; C64-C81 WeakPolarHBondContact CB-SG 3.38Å; C64-C81 PolarHBondContact O-SG 3.19Å; C64-C81 WeakPolarHBondContact SG-CB 3.29Å; C64-C81 CovalentContact SG-SG 2.05Å; C64-C81 PolarHBondContact SG-SG 2.92Å; C64-Q409 PolarHBondContact SG-NE2 3.43Å; C64-Q409 VanDerWaalsContact SG-NE2 3.44Å
65V89.4Confident86.1Confident52 Ų5251.6 Ų51.632%0.31526%0.264SS..Hα-helixtrans-62.6-39.2-178171.70000111.7H61 R62 L63 Y68 N69 C81H61-V65 WeakPolarHBondContact O-CG2 3.45Å; H61-V65 PolarHBondContact O-N 3.09Å; H61-V65 VanDerWaalsContact O-N 3.07Å; R62-V65 PolarHBondContact O-N 3.07Å; L63-V65 PolarHBondContact O-N 3.14Å; V65-Y68 PolarHBondContact O-N 2.79Å; V65-N69 WeakPolarHBondContact O-CB 3.49Å; V65-N69 VanDerWaalsContact O-CG 3.29Å; V65-N69 PolarHBondContact O-N 3.44Å; V65-N69 PolarHBondContact O-ND2 3.05Å; V65-C81 HydrophobicContact CG2-CB 4.02Å; V65-C81 PolarHBondContact N-SG 2.89Å
66I87.3Confident84.8Confident54 Ų5460.3 Ų60.328%0.27730%0.304SS..Hα-helixtrans-67.2-47.4178.5-68.9166.1000110.8R62 L63 C64 Y68 N69 S70 E490 T491R62-I66 WeakPolarHBondContact O-CG1 3.2Å; R62-I66 PolarHBondContact O-N 2.98Å; L63-I66 PolarHBondContact O-N 3.14Å; C64-I66 VanDerWaalsContact C-N 3.31Å; C64-I66 PolarHBondContact O-N 3.01Å; I66-Y68 VanDerWaalsContact C-N 3.31Å; I66-Y68 PolarHBondContact O-N 3.27Å; I66-N69 PolarHBondContact O-N 3.44Å; I66-S70 WeakPolarHBondContact O-CB 3.4Å; I66-S70 PolarHBondContact O-N 2.91Å; I66-E490 WeakPolarHBondContact CG2-OE2 3.36Å; I66-T491 HydrophobicContact CD1-CG2 3.11Å
67H84.2Confident83.4Confident98 Ų9869.3 Ų69.345%0.45435%0.346SS..Hα-helixtrans-60.4-41.7175.3-70.7175.3000111.9L63 C64 S70 T71L63-H67 WeakPolarHBondContact O-CB 3.27Å; L63-H67 PolarHBondContact O-N 3.14Å; C64-H67 PolarHBondContact O-N 3.31Å; H67-S70 PolarHBondContact O-N 3.23Å; H67-T71 PolarHBondContact O-N 3.28Å; H67-T71 PolarHBondContact O-OG1 3.42Å
68Y86.1Confident82.2Confident62 Ų6270.6 Ų70.624%0.24336%0.357CS..Hα-helixtrans-59.9-48.3175.5176.3-94.9000111.6C64 V65 I66 S70 T71 L72 A78 N79C64-Y68 VanDerWaalsContact O-CB 3.29Å; C64-Y68 WeakPolarHBondContact O-CB 3.19Å; C64-Y68 PolarHBondContact O-N 3.3Å; V65-Y68 PolarHBondContact O-N 2.79Å; I66-Y68 VanDerWaalsContact C-N 3.31Å; I66-Y68 PolarHBondContact O-N 3.27Å; Y68-S70 VanDerWaalsContact C-N 3.32Å; Y68-S70 PolarHBondContact O-N 2.9Å; Y68-T71 WeakPolarHBondContact CA-OG1 3.1Å; Y68-T71 PolarHBondContact O-N 2.98Å; Y68-T71 PolarHBondContact O-OG1 2.86Å; Y68-L72 HydrophobicContact CE1-CD1 4.41Å; Y68-L72 WeakPolarHBondContact O-CB 3.44Å; Y68-L72 PolarHBondContact O-N 3.49Å; Y68-A78 HydrophobicContact CD2-CB 3.55Å; Y68-A78 HydrophobicContact CE2-CB 3.61Å; Y68-A78 WeakPolarHBondContact CE2-O 3.31Å; Y68-N79 WeakPolarHBondContact CD2-O 3.29Å; Y68-N79 WeakPolarHBondContact CE2-O 3.32Å
69N85Confident81.3Confident82 Ų8276.9 Ų76.944%0.43939%0.391SS..Hα-helixtrans-64.2-37.8178-72.7-21.9000112V65 I66 N73V65-N69 WeakPolarHBondContact O-CB 3.49Å; V65-N69 VanDerWaalsContact O-CG 3.29Å; V65-N69 PolarHBondContact O-N 3.44Å; V65-N69 PolarHBondContact O-ND2 3.05Å; I66-N69 PolarHBondContact O-N 3.44Å; N69-N73 PolarHBondContact O-N 3.32Å; N69-N73 PolarHBondContact O-ND2 3.03Å
70S82.7Confident80.9Confident51 Ų5180.3 Ų80.336%0.35741%0.413SS..Hα-helixtrans-66.4-39.5175.9-172.40000112.3I66 H67 Y68 K74I66-S70 WeakPolarHBondContact O-CB 3.4Å; I66-S70 PolarHBondContact O-N 2.91Å; H67-S70 PolarHBondContact O-N 3.23Å; Y68-S70 VanDerWaalsContact C-N 3.32Å; Y68-S70 PolarHBondContact O-N 2.9Å; S70-K74 WeakPolarHBondContact O-CG 3.4Å
71T81Confident80.8Confident58 Ų5880.8 Ų80.836%0.35642%0.418SS..Hα-helixtrans-76.2-36.217627.20000112.9H67 Y68 N73 K74 T75H67-T71 PolarHBondContact O-N 3.28Å; H67-T71 PolarHBondContact O-OG1 3.42Å; Y68-T71 WeakPolarHBondContact CA-OG1 3.1Å; Y68-T71 PolarHBondContact O-N 2.98Å; Y68-T71 PolarHBondContact O-OG1 2.86Å; T71-N73 PolarHBondContact O-N 2.9Å; T71-K74 CarbonylContact O-C 3.52Å; T71-K74 WeakPolarHBondContact O-CA 3.25Å; T71-K74 PolarHBondContact O-N 3.2Å; T71-T75 PolarHBondContact O-N 2.8Å; T71-T75 VanDerWaalsContact O-O 3.04Å; T71-T75 PolarHBondContact O-OG1 3.45Å; T71-T75 VanDerWaalsContact O-OG1 3.07Å
72L78.5Confident80.6Confident67 Ų6785.6 Ų85.635%0.35144%0.44SS..Hα-helixtrans-59.3-38.2176.7-165.483.3000111.4Y68 K74 T75Y68-L72 HydrophobicContact CE1-CD1 4.41Å; Y68-L72 WeakPolarHBondContact O-CB 3.44Å; Y68-L72 PolarHBondContact O-N 3.49Å; L72-K74 PolarHBondContact O-N 3.49Å; L72-T75 WeakPolarHBondContact CA-O 3.45Å
73N74Confident80.5Confident144 Ų14485.3 Ų85.377%0.7745%0.45SS*.THydrogen-bonded Turntrans-66.9-17.7174.4-73.2-18.6000113.4N69 T71N69-N73 PolarHBondContact O-N 3.32Å; N69-N73 PolarHBondContact O-ND2 3.03Å; T71-N73 PolarHBondContact O-N 2.9Å
74K76.6Confident80.4Confident166 Ų16684.9 Ų84.972%0.72245%0.448SS*.THydrogen-bonded Turntrans-105.7-35-179.6-67.4177.2-178.7174.10113.1S70 T71 L72S70-K74 WeakPolarHBondContact O-CG 3.4Å; T71-K74 CarbonylContact O-C 3.52Å; T71-K74 WeakPolarHBondContact O-CA 3.25Å; T71-K74 PolarHBondContact O-N 3.2Å; L72-K74 PolarHBondContact O-N 3.49Å
75T68.9Low80.1Confident73 Ų7388.3 Ų88.345%0.44847%0.473SS..  trans-150.6126.4-170.552.60000109.9T71 L72 Q77T71-T75 PolarHBondContact O-N 2.8Å; T71-T75 VanDerWaalsContact O-O 3.04Å; T71-T75 PolarHBondContact O-OG1 3.45Å; T71-T75 VanDerWaalsContact O-OG1 3.07Å; L72-T75 WeakPolarHBondContact CA-O 3.45Å; T75-Q77 PolarHBondContact O-N 3.47Å
76H66.9Low79.5Confident182 Ų18286.5 Ų86.584%0.84346%0.462SS*.SBendtrans-72.917.9179.2-73.4-77000114.9
77Q63.2Low79.2Confident189 Ų18987.3 Ų87.388%0.88346%0.462SS*.  trans-130.561.7-172.9-71.3-176.1-18.100112.4T75T75-Q77 PolarHBondContact O-N 3.47Å
78A68.7Low78.8Confident27 Ų2783.4 Ų83.422%0.22345%0.445CS..  trans-111.2141.3171.300000110.4Y68Y68-A78 HydrophobicContact CD2-CB 3.55Å; Y68-A78 HydrophobicContact CE2-CB 3.61Å; Y68-A78 WeakPolarHBondContact CE2-O 3.31Å
79N73.6Confident77.9Confident144 Ų14488.7 Ų88.777%0.7747%0.469SS*.PPolyproline II helixtrans-72.7135.4172.6-74-19.7000109.7Y68Y68-N79 WeakPolarHBondContact CD2-O 3.29Å; Y68-N79 WeakPolarHBondContact CE2-O 3.32Å
80P83.2Confident77.4Confident72 Ų7287.8 Ų87.847%0.46848%0.479SS..PPolyproline II helixtrans-65.9149.3178.827.8-34.1000111.7Q409P80-Q409 PolarHBondContact O-NE2 2.76Å
81C88Confident77.3Confident24 Ų2491.5 Ų91.516%0.16250%0.495CS..PPolyproline II helixtrans-81.1123.7174-60.40000110.5C64 V65C64-C81 HydrophobicContact CB-CB 3.96Å; C64-C81 WeakPolarHBondContact CB-SG 3.38Å; C64-C81 PolarHBondContact O-SG 3.19Å; C64-C81 WeakPolarHBondContact SG-CB 3.29Å; C64-C81 CovalentContact SG-SG 2.05Å; C64-C81 PolarHBondContact SG-SG 2.92Å; V65-C81 HydrophobicContact CG2-CB 4.02Å; V65-C81 PolarHBondContact N-SG 2.89Å
82H87.6Confident77.5Confident117 Ų11791.2 Ų91.254%0.54250%0.499SS..PPolyproline II helixtrans-82.5136.1174.3-60.390.4000110.4H61 Q409 Y411H61-H82 PolarHBondContact CD2-O 3.38Å; H82-Q409 PolarHBondContact ND1-OE1 2.96Å; H82-Y411 WeakPolarHBondContact O-CE2 3.27Å
83P86.4Confident78Confident84 Ų8488.5 Ų88.555%0.54548%0.484SS..PPolyproline II helixtrans-73.3143.3175.529.7-33.6000111.2Y87P83-Y87 HydrophobicContact CB-CD2 4.47Å; P83-Y87 HydrophobicContact CB-CG 4.32Å
84P87.3Confident78.7Confident8 Ų883.2 Ų83.25%0.05246%0.458CS..PPolyproline II helixtrans-64.9153.2174.826.4-34.1000111.7V57 L58 S86 Y87 Y411V57-P84 HydrophobicContact CG1-CB 3.52Å; V57-P84 HydrophobicContact CG1-CG 3.75Å; L58-P84 HydrophobicContact CD2-CG 4.15Å; P84-S86 PolarHBondContact O-N 3.4Å; P84-Y87 HydrophobicContact CG-CD2 3.92Å; P84-Y87 HydrophobicContact CG-CG 4.49Å; P84-Y87 WeakPolarHBondContact O-CB 3.33Å; P84-Y87 PolarHBondContact O-N 2.92Å; P84-Y411 HydrophobicContact CB-CD2 4Å; P84-Y411 HydrophobicContact CB-CG 3.9Å
85S82.8Confident79.4Confident101 Ų10179 Ų7971%0.70645%0.446SS*.THydrogen-bonded Turntrans-60-33.8177.9-53.90000112.8Y87S85-Y87 PolarHBondContact O-N 3.26Å
86S78Confident80.4Confident14 Ų1477.4 Ų77.410%0.09844%0.435CS..THydrogen-bonded Turntrans-82.814.2176.7-52.80000113.4P84 M88 E415P84-S86 PolarHBondContact O-N 3.4Å; S86-M88 PolarHBondContact O-N 3.35Å; S86-E415 PolarHBondContact OG-OE1 2.91Å; S86-E415 PolarHBondContact OG-OE2 3.2Å
87Y80.4Confident81.7Confident70 Ų7068.8 Ų68.828%0.27540%0.395SS..  trans-57.4129.4-175.8-166.5-105000112.7L58 H61 P83 P84 S85 F89L58-Y87 HydrophobicContact CD2-CD2 3.46Å; L58-Y87 VanDerWaalsContact CD2-CD2 3.46Å; L58-Y87 HydrophobicContact CD2-CE2 3.94Å; L58-Y87 HydrophobicContact CD2-CG 4.29Å; H61-Y87 AromaticContact CE1-CE2 3.58Å; H61-Y87 AromaticContact ND1-CE2 3.42Å; H61-Y87 WeakPolarHBondContact ND1-CE2 3.39Å; P83-Y87 HydrophobicContact CB-CD2 4.47Å; P83-Y87 HydrophobicContact CB-CG 4.32Å; P84-Y87 HydrophobicContact CG-CD2 3.92Å; P84-Y87 HydrophobicContact CG-CG 4.49Å; P84-Y87 WeakPolarHBondContact O-CB 3.33Å; P84-Y87 PolarHBondContact O-N 2.92Å; S85-Y87 PolarHBondContact O-N 3.26Å; Y87-F89 AromaticContact CD1-CD2 3.85Å; Y87-F89 HydrophobicContact CD1-CD2 3.85Å; Y87-F89 AromaticContact CD1-CE2 3.64Å; Y87-F89 HydrophobicContact CD1-CE2 3.64Å; Y87-F89 HydrophobicContact CD1-CG 4.39Å; Y87-F89 HydrophobicContact CD1-CZ 4.01Å; Y87-F89 AromaticContact CE1-CD1 3.87Å; Y87-F89 HydrophobicContact CE1-CD1 3.87Å; Y87-F89 AromaticContact CE1-CD2 3.81Å; Y87-F89 HydrophobicContact CE1-CD2 3.81Å; Y87-F89 AromaticContact CE1-CE1 3.67Å; Y87-F89 HydrophobicContact CE1-CE1 3.67Å; Y87-F89 AromaticContact CE1-CE2 3.61Å; Y87-F89 HydrophobicContact CE1-CE2 3.61Å; Y87-F89 AromaticContact CE1-CG 3.94Å; Y87-F89 HydrophobicContact CE1-CG 3.94Å; Y87-F89 AromaticContact CE1-CZ 3.54Å; Y87-F89 HydrophobicContact CE1-CZ 3.54Å
88M76Confident83.1Confident17 Ų1766.9 Ų66.98%0.08438%0.379CS..  trans-118.6127.3176.4-66.8-166.1-60.300109.9V3 L6 L54 L58 S86 L93V3-M88 HydrophobicContact CG2-CG 4.33Å; L6-M88 HydrophobicContact CB-SD 4.29Å; L6-M88 HydrophobicContact CD2-CE 3.8Å; L6-M88 HydrophobicContact CD2-SD 3.46Å; L6-M88 WeakPolarHBondContact CD2-SD 3.43Å; L6-M88 HydrophobicContact CG-SD 4.49Å; L54-M88 HydrophobicContact CD2-CE 3.37Å; L54-M88 HydrophobicContact CD2-SD 4.19Å; L54-M88 HydrophobicContact CG-CE 4.03Å; L58-M88 HydrophobicContact CD1-CE 4.24Å; S86-M88 PolarHBondContact O-N 3.35Å; M88-L93 HydrophobicContact CE-CB 4.05Å; M88-L93 HydrophobicContact CE-CD1 4.23Å
89F67.6Low84.3Confident172 Ų17268.9 Ų68.975%0.75439%0.389SS*.  trans-83.1140175-78.5-88.2000111.6Y87Y87-F89 AromaticContact CD1-CD2 3.85Å; Y87-F89 HydrophobicContact CD1-CD2 3.85Å; Y87-F89 AromaticContact CD1-CE2 3.64Å; Y87-F89 HydrophobicContact CD1-CE2 3.64Å; Y87-F89 HydrophobicContact CD1-CG 4.39Å; Y87-F89 HydrophobicContact CD1-CZ 4.01Å; Y87-F89 AromaticContact CE1-CD1 3.87Å; Y87-F89 HydrophobicContact CE1-CD1 3.87Å; Y87-F89 AromaticContact CE1-CD2 3.81Å; Y87-F89 HydrophobicContact CE1-CD2 3.81Å; Y87-F89 AromaticContact CE1-CE1 3.67Å; Y87-F89 HydrophobicContact CE1-CE1 3.67Å; Y87-F89 AromaticContact CE1-CE2 3.61Å; Y87-F89 HydrophobicContact CE1-CE2 3.61Å; Y87-F89 AromaticContact CE1-CG 3.94Å; Y87-F89 HydrophobicContact CE1-CG 3.94Å; Y87-F89 AromaticContact CE1-CZ 3.54Å; Y87-F89 HydrophobicContact CE1-CZ 3.54Å
90G73.4Confident85.3Confident63 Ų6362.2 Ų62.265%0.64935%0.353SS*.SBendtrans87.7-154.7163.800000116A92G90-A92 VanDerWaalsContact C-N 3.3Å; G90-A92 PolarHBondContact O-N 3.19Å
91N81.3Confident85.8Confident129 Ų12959.1 Ų59.169%0.6933%0.332SS*.SBendtrans-85.27.8-169.6-66.5-28000114.4L93 P94 V95N91-L93 PolarHBondContact O-N 3.33Å; N91-P94 WeakPolarHBondContact O-CD 3.47Å; N91-V95 HydrophobicContact CB-CG2 4.37Å; N91-V95 WeakPolarHBondContact O-CB 3.47Å; N91-V95 WeakPolarHBondContact O-CG2 3.46Å; N91-V95 PolarHBondContact O-N 2.86Å
92A85Confident86Confident53 Ų5363.4 Ų63.444%0.43835%0.345SS..Hα-helixtrans-59.6-48.8-173.500000112.6G90 V95 L96G90-A92 VanDerWaalsContact C-N 3.3Å; G90-A92 PolarHBondContact O-N 3.19Å; A92-V95 PolarHBondContact O-N 3.06Å; A92-L96 WeakPolarHBondContact O-CB 3.18Å; A92-L96 PolarHBondContact O-N 3.34Å
93L88.3Confident86.4Confident9 Ų960 Ų605%0.04733%0.332CS..Hα-helixtrans-67.2-48.1-178.8-177.273.2000112.7L51 D55 L58 M88 N91 V95 L96 W97 A494L51-L93 HydrophobicContact CD2-CD1 3.74Å; L51-L93 HydrophobicContact CG-CD1 4.17Å; D55-L93 HydrophobicContact CB-CD2 3.81Å; D55-L93 WeakPolarHBondContact OD1-CD2 3.04Å; L58-L93 HydrophobicContact CD1-CD2 3.92Å; M88-L93 HydrophobicContact CE-CB 4.05Å; M88-L93 HydrophobicContact CE-CD1 4.23Å; N91-L93 PolarHBondContact O-N 3.33Å; L93-V95 VanDerWaalsContact C-N 3.3Å; L93-V95 PolarHBondContact O-N 2.94Å; L93-L96 PolarHBondContact O-N 3.19Å; L93-W97 PolarHBondContact O-N 3.09Å; L93-A494 HydrophobicContact CD2-CB 3.9Å; L93-A494 HydrophobicContact CG-CB 4.1Å
94P90Very high86.8Confident34 Ų3456.1 Ų56.122%0.22131%0.307CS..Hα-helixtrans-56.7-39.6171.6-26.933.2000113.9N91 R98 A494N91-P94 WeakPolarHBondContact O-CD 3.47Å; P94-R98 WeakPolarHBondContact O-CB 3.41Å; P94-R98 VanDerWaalsContact O-CG 3.26Å; P94-R98 WeakPolarHBondContact O-CG 3.27Å; P94-R98 PolarHBondContact O-N 3.03Å; P94-A494 HydrophobicContact CG-CB 4.09Å
95V90.5Very high87.1Confident76 Ų7656.7 Ų56.746%0.46131%0.309SS..Hα-helixtrans-65.6-44.8176.8169.80000110.7N91 A92 L93 W97 R98 V99N91-V95 HydrophobicContact CB-CG2 4.37Å; N91-V95 WeakPolarHBondContact O-CB 3.47Å; N91-V95 WeakPolarHBondContact O-CG2 3.46Å; N91-V95 PolarHBondContact O-N 2.86Å; A92-V95 PolarHBondContact O-N 3.06Å; L93-V95 VanDerWaalsContact C-N 3.3Å; L93-V95 PolarHBondContact O-N 2.94Å; V95-W97 PolarHBondContact O-N 3.35Å; V95-R98 WeakPolarHBondContact O-CB 3.41Å; V95-R98 PolarHBondContact O-N 2.96Å; V95-V99 WeakPolarHBondContact O-CG2 3.42Å; V95-V99 PolarHBondContact O-N 3.47Å
96L90.8Very high87.7Confident41 Ų4156.1 Ų56.122%0.21530%0.298CS..Hα-helixtrans-61.8-45.7179.3-172.762.4000111.3L6 L51 A92 L93 R98 V99 V100L6-L96 HydrophobicContact CD2-CD2 4.13Å; L51-L96 HydrophobicContact CD1-CD2 3.28Å; L51-L96 HydrophobicContact CD1-CG 3.61Å; L51-L96 HydrophobicContact CG-CD2 4.04Å; A92-L96 WeakPolarHBondContact O-CB 3.18Å; A92-L96 PolarHBondContact O-N 3.34Å; L93-L96 PolarHBondContact O-N 3.19Å; L96-R98 VanDerWaalsContact C-N 3.34Å; L96-R98 PolarHBondContact O-N 2.88Å; L96-V99 PolarHBondContact O-N 3.03Å; L96-V100 VanDerWaalsContact O-CG2 3.29Å; L96-V100 WeakPolarHBondContact O-CG2 3.29Å; L96-V100 PolarHBondContact O-N 2.78Å
97W93.4Very high88.5Confident1 Ų156.1 Ų56.10%0.00430%0.297CS..Hα-helixtrans-62.5-38.3174.4-83.6131.7000113I48 L51 L52 D55 L93 V95 V99 V100 Y101 Y495 I498I48-W97 HydrophobicContact CG2-CH2 4.26Å; I48-W97 HydrophobicContact CG2-CZ3 4.16Å; L51-W97 HydrophobicContact CD2-CD2 3.28Å; L51-W97 HydrophobicContact CD2-CE3 3.77Å; L51-W97 HydrophobicContact CD2-CG 3.88Å; L51-W97 HydrophobicContact CD2-CH2 3.63Å; L51-W97 HydrophobicContact CD2-CZ2 3.15Å; L51-W97 HydrophobicContact CD2-CZ3 3.93Å; L51-W97 VanDerWaalsContact CD2-NE1 3.31Å; L51-W97 HydrophobicContact CG-CZ2 4.46Å; L52-W97 HydrophobicContact CB-CH2 4.25Å; L52-W97 HydrophobicContact CB-CZ2 4.17Å; L52-W97 HydrophobicContact CD1-CH2 4.23Å; L52-W97 HydrophobicContact CD1-CZ2 3.82Å; D55-W97 PolarHBondContact OD2-NE1 3.46Å; L93-W97 PolarHBondContact O-N 3.09Å; V95-W97 PolarHBondContact O-N 3.35Å; W97-V99 VanDerWaalsContact C-N 3.3Å; W97-V99 PolarHBondContact O-N 3.32Å; W97-V100 HydrophobicContact CE3-CB 4.35Å; W97-V100 HydrophobicContact CE3-CG1 4.2Å; W97-V100 HydrophobicContact CZ3-CG1 4.24Å; W97-V100 PolarHBondContact O-N 2.87Å; W97-Y101 WeakPolarHBondContact O-CB 3.28Å; W97-Y101 PolarHBondContact O-N 2.9Å; W97-Y495 AromaticContact CD2-CD2 3.6Å; W97-Y495 HydrophobicContact CD2-CD2 3.6Å; W97-Y495 HydrophobicContact CD2-CG 4.37Å; W97-Y495 AromaticContact CE2-CD2 3.71Å; W97-Y495 AromaticContact CE3-CD2 3.47Å; W97-Y495 HydrophobicContact CE3-CD2 3.47Å; W97-Y495 VanDerWaalsContact CE3-CD2 3.47Å; W97-Y495 AromaticContact CE3-CE2 3.94Å; W97-Y495 HydrophobicContact CE3-CE2 3.94Å; W97-Y495 HydrophobicContact CG-CD2 4.36Å; W97-Y495 AromaticContact CH2-CD2 3.65Å; W97-Y495 HydrophobicContact CH2-CD2 3.65Å; W97-Y495 HydrophobicContact CH2-CE2 4.07Å; W97-Y495 HydrophobicContact CH2-CG 4.3Å; W97-Y495 AromaticContact CZ2-CD2 3.74Å; W97-Y495 HydrophobicContact CZ2-CD2 3.74Å; W97-Y495 HydrophobicContact CZ2-CG 4.05Å; W97-Y495 AromaticContact CZ3-CD2 3.5Å; W97-Y495 HydrophobicContact CZ3-CD2 3.5Å; W97-Y495 AromaticContact CZ3-CE2 3.71Å; W97-Y495 HydrophobicContact CZ3-CE2 3.71Å; W97-I498 HydrophobicContact CB-CD1 3.16Å; W97-I498 HydrophobicContact CG-CD1 4.24Å
98R93.5Very high89.2Confident149 Ų14952.9 Ų52.956%0.56228%0.284SS*.Hα-helixtrans-59.9-42.6174.8-77.3174.3-174-174.72.1111P94 V95 L96 W102 I498P94-R98 WeakPolarHBondContact O-CB 3.41Å; P94-R98 VanDerWaalsContact O-CG 3.26Å; P94-R98 WeakPolarHBondContact O-CG 3.27Å; P94-R98 PolarHBondContact O-N 3.03Å; V95-R98 WeakPolarHBondContact O-CB 3.41Å; V95-R98 PolarHBondContact O-N 2.96Å; L96-R98 VanDerWaalsContact C-N 3.34Å; L96-R98 PolarHBondContact O-N 2.88Å; R98-W102 WeakPolarHBondContact O-CB 3.25Å; R98-W102 PolarHBondContact O-N 3.2Å; R98-I498 HydrophobicContact CG-CD1 3.79Å; R98-I498 HydrophobicContact CG-CG1 3.92Å; R98-I498 HydrophobicContact CG-CG2 4.46Å
99V93.8Very high90Very high69 Ų6954.7 Ų54.742%0.41829%0.29SS..Hα-helixtrans-64-55.7176.1174.20000110.4F44 V95 L96 W97 Y101 T103F44-V99 HydrophobicContact CE1-CG1 4.48Å; F44-V99 HydrophobicContact CZ-CG1 4.09Å; V95-V99 WeakPolarHBondContact O-CG2 3.42Å; V95-V99 PolarHBondContact O-N 3.47Å; L96-V99 PolarHBondContact O-N 3.03Å; W97-V99 VanDerWaalsContact C-N 3.3Å; W97-V99 PolarHBondContact O-N 3.32Å; V99-Y101 VanDerWaalsContact C-N 3.32Å; V99-Y101 PolarHBondContact O-N 3.33Å; V99-T103 WeakPolarHBondContact O-CB 3.26Å; V99-T103 PolarHBondContact O-N 2.86Å; V99-T103 PolarHBondContact O-OG1 3.26Å
100V94Very high91.2Very high3 Ų350.5 Ų50.52%0.01828%0.275CS..Hα-helixtrans-54.2-49.2-178.91700000111F44 L51 L96 W97 S104F44-V100 HydrophobicContact CB-CG1 4.13Å; F44-V100 HydrophobicContact CD1-CB 4.35Å; F44-V100 HydrophobicContact CD1-CG1 4.48Å; F44-V100 HydrophobicContact CD1-CG2 3.78Å; F44-V100 HydrophobicContact CE1-CG2 4.13Å; F44-V100 HydrophobicContact CG-CG1 4.39Å; F44-V100 HydrophobicContact CG-CG2 4.45Å; L51-V100 HydrophobicContact CD1-CG2 4.32Å; L96-V100 VanDerWaalsContact O-CG2 3.29Å; L96-V100 WeakPolarHBondContact O-CG2 3.29Å; L96-V100 PolarHBondContact O-N 2.78Å; W97-V100 HydrophobicContact CE3-CB 4.35Å; W97-V100 HydrophobicContact CE3-CG1 4.2Å; W97-V100 HydrophobicContact CZ3-CG1 4.24Å; W97-V100 PolarHBondContact O-N 2.87Å; V100-S104 WeakPolarHBondContact O-CB 3.44Å; V100-S104 PolarHBondContact O-N 3.3Å; V100-S104 VanDerWaalsContact O-N 3.11Å; V100-S104 PolarHBondContact O-OG 3.45Å
101Y93.2Very high92.2Very high8 Ų849.4 Ų49.43%0.03126%0.255CS..Hα-helixtrans-68.2-58.9-177-175.8-95.9000112W97 V99 T103 S104 Q105 I172 P467 I498 M499W97-Y101 WeakPolarHBondContact O-CB 3.28Å; W97-Y101 PolarHBondContact O-N 2.9Å; V99-Y101 VanDerWaalsContact C-N 3.32Å; V99-Y101 PolarHBondContact O-N 3.33Å; Y101-T103 VanDerWaalsContact C-N 3.34Å; Y101-T103 PolarHBondContact O-N 3Å; Y101-S104 PolarHBondContact O-N 3.39Å; Y101-S104 VanDerWaalsContact O-N 3.16Å; Y101-Q105 HydrophobicContact CD1-CG 4.1Å; Y101-Q105 HydrophobicContact CE1-CG 3.71Å; Y101-Q105 HydrophobicContact CE2-CG 4.29Å; Y101-Q105 WeakPolarHBondContact O-CG 3.37Å; Y101-Q105 PolarHBondContact O-N 2.74Å; Y101-Q105 PolarHBondContact OH-NE2 2.77Å; Y101-I172 HydrophobicContact CE1-CD1 4.47Å; Y101-I172 HydrophobicContact CE1-CG1 4.39Å; Y101-I172 WeakPolarHBondContact OH-CG1 3.46Å; Y101-I172 WeakPolarHBondContact OH-CG2 3.18Å; Y101-P467 HydrophobicContact CD2-CG 4.34Å; Y101-P467 HydrophobicContact CE2-CB 4.2Å; Y101-P467 HydrophobicContact CE2-CG 4.05Å; Y101-I498 HydrophobicContact CD1-CG2 4.18Å; Y101-I498 HydrophobicContact CG-CG2 4.41Å; Y101-M499 HydrophobicContact CD2-CE 4.34Å; Y101-M499 HydrophobicContact CE2-CE 3.74Å
102W93.6Very high92.9Very high113 Ų11343.2 Ų43.243%0.42822%0.222SC..Hα-helixtrans-68.5-33.4-173.6-72.3111.6000112.9R98 Q105 L106 K168 I172R98-W102 WeakPolarHBondContact O-CB 3.25Å; R98-W102 PolarHBondContact O-N 3.2Å; W102-Q105 PolarHBondContact O-N 3.23Å; W102-L106 WeakPolarHBondContact O-CB 3.45Å; W102-L106 PolarHBondContact O-N 3.27Å; W102-K168 HydrophobicContact CH2-CG 4.28Å; W102-I172 HydrophobicContact CH2-CD1 4.2Å; W102-I172 HydrophobicContact CH2-CG1 4.47Å; W102-I172 HydrophobicContact CZ2-CD1 4.38Å
103T94.7Very high93.3Very high46 Ų4641.4 Ų41.428%0.28221%0.206SC..Hα-helixtrans-68.3-40.3173-52.70000111.1V40 F44 V99 Y101 Q105 L106 L107V40-T103 HydrophobicContact CG1-CG2 4.21Å; F44-T103 HydrophobicContact CD2-CG2 4.38Å; F44-T103 HydrophobicContact CE2-CG2 3.56Å; F44-T103 HydrophobicContact CZ-CG2 4.42Å; V99-T103 WeakPolarHBondContact O-CB 3.26Å; V99-T103 PolarHBondContact O-N 2.86Å; V99-T103 PolarHBondContact O-OG1 3.26Å; Y101-T103 VanDerWaalsContact C-N 3.34Å; Y101-T103 PolarHBondContact O-N 3Å; T103-Q105 VanDerWaalsContact C-N 3.35Å; T103-Q105 PolarHBondContact O-N 3.27Å; T103-L106 PolarHBondContact O-N 3.34Å; T103-L107 HydrophobicContact CG2-CD1 4Å; T103-L107 HydrophobicContact CG2-CG 4.22Å; T103-L107 WeakPolarHBondContact O-CB 3.41Å; T103-L107 VanDerWaalsContact O-CG 3.24Å; T103-L107 WeakPolarHBondContact O-CG 3.43Å; T103-L107 PolarHBondContact O-N 3.32Å
104S95.2Very high93.5Very high2 Ų242.7 Ų42.71%0.01421%0.213CC..Hα-helixtrans-62.6-40.1174.5-62.20000112.5V100 Y101 L107 T108V100-S104 WeakPolarHBondContact O-CB 3.44Å; V100-S104 PolarHBondContact O-N 3.3Å; V100-S104 VanDerWaalsContact O-N 3.11Å; V100-S104 PolarHBondContact O-OG 3.45Å; Y101-S104 PolarHBondContact O-N 3.39Å; Y101-S104 VanDerWaalsContact O-N 3.16Å; S104-L107 PolarHBondContact O-N 3.32Å; S104-T108 WeakPolarHBondContact O-CB 3.41Å; S104-T108 VanDerWaalsContact O-CG2 3.26Å; S104-T108 WeakPolarHBondContact O-CG2 3.36Å; S104-T108 PolarHBondContact O-N 2.86Å
105Q93.7Very high93.7Very high21 Ų2143.1 Ų43.110%0.09821%0.212CC..Hα-helixtrans-64.8-44.3175.4-65.7-62.9-21.900111.9Y101 W102 T103 T108 W109 S175Y101-Q105 HydrophobicContact CD1-CG 4.1Å; Y101-Q105 HydrophobicContact CE1-CG 3.71Å; Y101-Q105 HydrophobicContact CE2-CG 4.29Å; Y101-Q105 WeakPolarHBondContact O-CG 3.37Å; Y101-Q105 PolarHBondContact O-N 2.74Å; Y101-Q105 PolarHBondContact OH-NE2 2.77Å; W102-Q105 PolarHBondContact O-N 3.23Å; T103-Q105 VanDerWaalsContact C-N 3.35Å; T103-Q105 PolarHBondContact O-N 3.27Å; Q105-T108 WeakPolarHBondContact O-CG2 3.28Å; Q105-W109 WeakPolarHBondContact O-CB 3.45Å; Q105-W109 VanDerWaalsContact O-CD1 3.27Å; Q105-W109 PolarHBondContact O-N 2.71Å; Q105-S175 PolarHBondContact NE2-OG 3.45Å; Q105-S175 PolarHBondContact OE1-OG 2.84Å
106L94.6Very high93.8Very high89 Ų8940.1 Ų40.147%0.46619%0.193SC..Hα-helixtrans-63.3-43.7176.5177.962.8000112W102 T103 I110 V111W102-L106 WeakPolarHBondContact O-CB 3.45Å; W102-L106 PolarHBondContact O-N 3.27Å; T103-L106 PolarHBondContact O-N 3.34Å; L106-I110 HydrophobicContact CD1-CB 4.27Å; L106-I110 HydrophobicContact CD1-CD1 3.98Å; L106-I110 HydrophobicContact CD1-CG1 4.48Å; L106-I110 PolarHBondContact O-N 3.19Å; L106-I110 VanDerWaalsContact O-N 3.15Å; L106-V111 HydrophobicContact CD1-CG2 4.38Å; L106-V111 HydrophobicContact CG-CG2 4.05Å; L106-V111 PolarHBondContact O-N 3.42Å
107L95.4Very high93.8Very high14 Ų1439 Ų397%0.07319%0.189CC..Iπ-helixtrans-63.3-49.6179.5-75.9175.3000111.3V40 A41 T103 S104 V111 L112V40-L107 HydrophobicContact CB-CD1 4.32Å; V40-L107 HydrophobicContact CG1-CD1 3.79Å; A41-L107 HydrophobicContact CB-CD1 4.3Å; T103-L107 HydrophobicContact CG2-CD1 4Å; T103-L107 HydrophobicContact CG2-CG 4.22Å; T103-L107 WeakPolarHBondContact O-CB 3.41Å; T103-L107 VanDerWaalsContact O-CG 3.24Å; T103-L107 WeakPolarHBondContact O-CG 3.43Å; T103-L107 PolarHBondContact O-N 3.32Å; S104-L107 PolarHBondContact O-N 3.32Å; L107-V111 HydrophobicContact CD2-CB 4.03Å; L107-V111 HydrophobicContact CD2-CG1 4.08Å; L107-V111 HydrophobicContact CD2-CG2 4.49Å; L107-L112 HydrophobicContact CB-CD1 3.89Å; L107-L112 HydrophobicContact CB-CG 4.08Å; L107-L112 HydrophobicContact CD2-CD2 4.49Å; L107-L112 HydrophobicContact CD2-CG 4.32Å; L107-L112 VanDerWaalsContact O-CB 3.23Å; L107-L112 WeakPolarHBondContact O-CB 3.31Å; L107-L112 VanDerWaalsContact O-CG 3.27Å; L107-L112 WeakPolarHBondContact O-CG 3.24Å; L107-L112 PolarHBondContact O-N 3.22Å
108T94.3Very high93.8Very high1 Ų142.8 Ų42.81%0.00620%0.204CC..Iπ-helixtrans-71.2-33.9-172.9-166.80000114.3S104 Q105 P113 I460 R464S104-T108 WeakPolarHBondContact O-CB 3.41Å; S104-T108 VanDerWaalsContact O-CG2 3.26Å; S104-T108 WeakPolarHBondContact O-CG2 3.36Å; S104-T108 PolarHBondContact O-N 2.86Å; Q105-T108 WeakPolarHBondContact O-CG2 3.28Å; T108-P113 WeakPolarHBondContact O-CD 3.33Å; T108-P113 WeakPolarHBondContact O-CG 3.14Å; T108-I460 PolarHBondContact OG1-O 3.38Å; T108-R464 HydrophobicContact CG2-CG 4.36Å; T108-R464 WeakPolarHBondContact OG1-CG 3.41Å; T108-R464 PolarHBondContact OG1-NE 2.92Å; T108-R464 VanDerWaalsContact OG1-NE 3.16Å
109W93.4Very high93.6Very high55 Ų5537.3 Ų37.321%0.20819%0.188CC..Iπ-helixtrans-97.2-23.1-173.7-68113.8000114Q105 Y141 Y144 S175 W178Q105-W109 WeakPolarHBondContact O-CB 3.45Å; Q105-W109 VanDerWaalsContact O-CD1 3.27Å; Q105-W109 PolarHBondContact O-N 2.71Å; W109-Y141 VanDerWaalsContact O-CE1 3.23Å; W109-Y141 WeakPolarHBondContact O-CE1 3.21Å; W109-Y141 PolarHBondContact O-OH 2.96Å; W109-Y141 VanDerWaalsContact O-OH 3.1Å; W109-Y144 HydrophobicContact CE3-CE2 4.26Å; W109-Y144 HydrophobicContact CZ3-CD2 4.44Å; W109-Y144 HydrophobicContact CZ3-CE1 4.37Å; W109-Y144 AromaticContact CZ3-CE2 3.99Å; W109-Y144 HydrophobicContact CZ3-CE2 3.99Å; W109-Y144 AromaticContact CZ3-CZ 3.96Å; W109-S175 PolarHBondContact NE1-OG 3.47Å; W109-S175 VanDerWaalsContact NE1-OG 3.07Å; W109-W178 AromaticContact CH2-CD1 3.79Å; W109-W178 HydrophobicContact CH2-CG 4.42Å
110I92.8Very high93.3Very high85 Ų8535.7 Ų35.744%0.43618%0.177SC..Iπ-helixtrans-126-63.4-173.8-55.3-177.1000111.2L106 L114L106-I110 HydrophobicContact CD1-CB 4.27Å; L106-I110 HydrophobicContact CD1-CD1 3.98Å; L106-I110 HydrophobicContact CD1-CG1 4.48Å; L106-I110 PolarHBondContact O-N 3.19Å; L106-I110 VanDerWaalsContact O-N 3.15Å; I110-L114 HydrophobicContact CG2-CD1 3.96Å; I110-L114 WeakPolarHBondContact O-CB 3.33Å; I110-L114 WeakPolarHBondContact O-CD1 3.37Å; I110-L114 WeakPolarHBondContact O-CG 3.36Å; I110-L114 PolarHBondContact O-N 3.22Å
111V94.5Very high93.1Very high39 Ų3935.8 Ų35.824%0.23618%0.178CC..Iπ-helixtrans-69.1-53.4-165.5-179.50000111.6L106 L107 L114 M115L106-V111 HydrophobicContact CD1-CG2 4.38Å; L106-V111 HydrophobicContact CG-CG2 4.05Å; L106-V111 PolarHBondContact O-N 3.42Å; L107-V111 HydrophobicContact CD2-CB 4.03Å; L107-V111 HydrophobicContact CD2-CG1 4.08Å; L107-V111 HydrophobicContact CD2-CG2 4.49Å; V111-L114 PolarHBondContact O-N 3.42Å; V111-M115 HydrophobicContact CG1-CE 3.51Å; V111-M115 HydrophobicContact CG1-CG 4.46Å; V111-M115 HydrophobicContact CG1-SD 3.92Å; V111-M115 WeakPolarHBondContact O-CB 3.33Å; V111-M115 VanDerWaalsContact O-CG 3.29Å; V111-M115 WeakPolarHBondContact O-CG 3.39Å; V111-M115 PolarHBondContact O-N 2.92Å
112L95.4Very high92.8Very high0 Ų035.5 Ų35.50%018%0.178CC..Hα-helixtrans-68.6-42.7-174.6-60.6171.5000112.7A41 L107 L114 M115 Q116 L456 A459 I460A41-L112 HydrophobicContact CB-CD1 4.28Å; L107-L112 HydrophobicContact CB-CD1 3.89Å; L107-L112 HydrophobicContact CB-CG 4.08Å; L107-L112 HydrophobicContact CD2-CD2 4.49Å; L107-L112 HydrophobicContact CD2-CG 4.32Å; L107-L112 VanDerWaalsContact O-CB 3.23Å; L107-L112 WeakPolarHBondContact O-CB 3.31Å; L107-L112 VanDerWaalsContact O-CG 3.27Å; L107-L112 WeakPolarHBondContact O-CG 3.24Å; L107-L112 PolarHBondContact O-N 3.22Å; L112-L114 VanDerWaalsContact C-N 3.33Å; L112-L114 PolarHBondContact O-N 3.36Å; L112-M115 PolarHBondContact O-N 3.12Å; L112-Q116 VanDerWaalsContact O-CB 3.32Å; L112-Q116 WeakPolarHBondContact O-CB 3.24Å; L112-Q116 PolarHBondContact O-N 3.35Å; L112-L456 HydrophobicContact CD2-CD2 3.64Å; L112-A459 HydrophobicContact CD1-CB 3.79Å; L112-A459 HydrophobicContact CD2-CB 4.36Å; L112-I460 HydrophobicContact CB-CD1 3.85Å; L112-I460 HydrophobicContact CB-CG1 3.37Å; L112-I460 HydrophobicContact CD1-CG1 3.85Å; L112-I460 HydrophobicContact CG-CG1 4.27Å
113P94.3Very high92.7Very high15 Ų1531.9 Ų31.910%0.09717%0.166CC..Hα-helixtrans-62.9-36.1174.9-2434.4000113.7T108 Q116 S117 N137 I460T108-P113 WeakPolarHBondContact O-CD 3.33Å; T108-P113 WeakPolarHBondContact O-CG 3.14Å; P113-Q116 PolarHBondContact O-N 3.49Å; P113-S117 PolarHBondContact O-N 3.27Å; P113-S117 VanDerWaalsContact O-N 3.08Å; P113-N137 PolarHBondContact O-ND2 3.19Å; P113-N137 VanDerWaalsContact O-ND2 3.12Å; P113-I460 HydrophobicContact CG-CD1 4.01Å
114L93.4Very high92.4Very high36 Ų3632.5 Ų32.519%0.18816%0.164CC..Hα-helixtrans-67.1-44.3174-72.8173.9000111.4I110 V111 L112 Q116 S117 Y118 L134 N137 Y141I110-L114 HydrophobicContact CG2-CD1 3.96Å; I110-L114 WeakPolarHBondContact O-CB 3.33Å; I110-L114 WeakPolarHBondContact O-CD1 3.37Å; I110-L114 WeakPolarHBondContact O-CG 3.36Å; I110-L114 PolarHBondContact O-N 3.22Å; V111-L114 PolarHBondContact O-N 3.42Å; L112-L114 VanDerWaalsContact C-N 3.33Å; L112-L114 PolarHBondContact O-N 3.36Å; L114-Q116 VanDerWaalsContact C-N 3.3Å; L114-Q116 PolarHBondContact O-N 3.05Å; L114-S117 PolarHBondContact O-N 2.98Å; L114-Y118 WeakPolarHBondContact O-CB 3.42Å; L114-Y118 PolarHBondContact O-N 2.95Å; L114-L134 HydrophobicContact CD1-CD2 4.49Å; L114-L134 HydrophobicContact CD2-CD2 3.8Å; L114-L134 HydrophobicContact CD2-CG 4.47Å; L114-N137 HydrophobicContact CD2-CB 4.05Å; L114-Y141 HydrophobicContact CD2-CE2 4.3Å
115M93.2Very high92.2Very high42 Ų4236.4 Ų36.421%0.20719%0.188CC..Hα-helixtrans-61.4-39.6174.5-73.9-177.6178.300112.1V33 S37 V111 L112 Y118 S119 L456V33-M115 HydrophobicContact CG1-CE 3.28Å; V33-M115 HydrophobicContact CG1-SD 4.14Å; S37-M115 PolarHBondContact OG-SD 3.38Å; V111-M115 HydrophobicContact CG1-CE 3.51Å; V111-M115 HydrophobicContact CG1-CG 4.46Å; V111-M115 HydrophobicContact CG1-SD 3.92Å; V111-M115 WeakPolarHBondContact O-CB 3.33Å; V111-M115 VanDerWaalsContact O-CG 3.29Å; V111-M115 WeakPolarHBondContact O-CG 3.39Å; V111-M115 PolarHBondContact O-N 2.92Å; L112-M115 PolarHBondContact O-N 3.12Å; M115-Y118 WeakPolarHBondContact O-CB 3.32Å; M115-Y118 PolarHBondContact O-N 3.34Å; M115-S119 WeakPolarHBondContact O-CB 3.32Å; M115-S119 PolarHBondContact O-N 3.21Å; M115-L456 HydrophobicContact CB-CD1 3.88Å; M115-L456 HydrophobicContact CB-CD2 4.22Å
116Q92.6Very high92Very high13 Ų1339.6 Ų39.66%0.06121%0.211CC..Hα-helixtrans-62.9-46.4178.9-173.4175.9900111L112 P113 L114 Y118 N120 Y441 N453 L456L112-Q116 VanDerWaalsContact O-CB 3.32Å; L112-Q116 WeakPolarHBondContact O-CB 3.24Å; L112-Q116 PolarHBondContact O-N 3.35Å; P113-Q116 PolarHBondContact O-N 3.49Å; L114-Q116 VanDerWaalsContact C-N 3.3Å; L114-Q116 PolarHBondContact O-N 3.05Å; Q116-Y118 VanDerWaalsContact C-N 3.33Å; Q116-Y118 PolarHBondContact O-N 3.07Å; Q116-N120 WeakPolarHBondContact O-CB 3.46Å; Q116-N120 PolarHBondContact O-N 3.01Å; Q116-N120 VanDerWaalsContact O-N 3.16Å; Q116-N120 PolarHBondContact O-ND2 2.92Å; Q116-Y441 PolarHBondContact NE2-OH 3.41Å; Q116-N453 WeakPolarHBondContact CG-OD1 3.4Å; Q116-N453 PolarHBondContact NE2-OD1 3.19Å; Q116-L456 HydrophobicContact CB-CB 4.28Å; Q116-L456 HydrophobicContact CB-CD1 4.2Å
117S91.9Very high91.9Very high19 Ų1940.8 Ų40.813%0.13322%0.222CC..Hα-helixtrans-68.9-30.4175.1-720000113.3P113 L114 A121 N137P113-S117 PolarHBondContact O-N 3.27Å; P113-S117 VanDerWaalsContact O-N 3.08Å; L114-S117 PolarHBondContact O-N 2.98Å; S117-A121 PolarHBondContact O-N 3.47Å; S117-N137 WeakPolarHBondContact CB-ND2 3.45Å; S117-N137 PolarHBondContact OG-ND2 3.39Å
118Y92.3Very high91.8Very high80 Ų8041.1 Ų41.131%0.31423%0.228SC..Hα-helixtrans-68.2-46.8175.6-179.3-85.8000112L114 M115 Q116 N120 A121 P126 K129 L130L114-Y118 WeakPolarHBondContact O-CB 3.42Å; L114-Y118 PolarHBondContact O-N 2.95Å; M115-Y118 WeakPolarHBondContact O-CB 3.32Å; M115-Y118 PolarHBondContact O-N 3.34Å; Q116-Y118 VanDerWaalsContact C-N 3.33Å; Q116-Y118 PolarHBondContact O-N 3.07Å; Y118-N120 VanDerWaalsContact C-N 3.26Å; Y118-N120 PolarHBondContact O-N 3.13Å; Y118-A121 WeakPolarHBondContact O-CB 3.45Å; Y118-A121 PolarHBondContact O-N 2.77Å; Y118-A121 VanDerWaalsContact O-N 3.13Å; Y118-P126 WeakPolarHBondContact CE2-O 3.22Å; Y118-K129 HydrophobicContact CD2-CB 3.67Å; Y118-K129 HydrophobicContact CE1-CD 4.32Å; Y118-K129 HydrophobicContact CE2-CB 3.42Å; Y118-K129 VanDerWaalsContact CE2-CB 3.42Å; Y118-K129 HydrophobicContact CE2-CD 4.49Å; Y118-K129 HydrophobicContact CG-CB 4.36Å; Y118-L130 HydrophobicContact CD2-CB 4.19Å; Y118-L130 HydrophobicContact CE2-CB 4.16Å
119S89.3Confident91.7Very high33 Ų3343.4 Ų43.423%0.23124%0.238CC..Hα-helixtrans-59.8-40.3176.4177.60000110.9M115 A121 E452M115-S119 WeakPolarHBondContact O-CB 3.32Å; M115-S119 PolarHBondContact O-N 3.21Å; S119-A121 VanDerWaalsContact C-N 3.3Å; S119-A121 PolarHBondContact O-N 3.4Å; S119-E452 WeakPolarHBondContact CB-OE2 3.38Å; S119-E452 VanDerWaalsContact OG-CB 3.3Å; S119-E452 WeakPolarHBondContact OG-CB 3.3Å; S119-E452 PolarHBondContact OG-OE2 2.91Å
120N87.4Confident91.6Very high35 Ų3545.1 Ų45.119%0.18725%0.251CS..THydrogen-bonded Turntrans-73.9-8.8177.2-82.4-59.5000115.5Q116 Y118 K294 R298 N453Q116-N120 WeakPolarHBondContact O-CB 3.46Å; Q116-N120 PolarHBondContact O-N 3.01Å; Q116-N120 VanDerWaalsContact O-N 3.16Å; Q116-N120 PolarHBondContact O-ND2 2.92Å; Y118-N120 VanDerWaalsContact C-N 3.26Å; Y118-N120 PolarHBondContact O-N 3.13Å; N120-K294 WeakPolarHBondContact O-CE 3.19Å; N120-R298 PolarHBondContact OD1-NH2 2.98Å; N120-N453 PolarHBondContact ND2-OD1 3.44Å
121A90.2Very high91.7Very high6 Ų647.7 Ų47.75%0.0526%0.259CS..  trans-75.3135.1-175.600000112.1S117 Y118 S119 K129 R132S117-A121 PolarHBondContact O-N 3.47Å; Y118-A121 WeakPolarHBondContact O-CB 3.45Å; Y118-A121 PolarHBondContact O-N 2.77Å; Y118-A121 VanDerWaalsContact O-N 3.13Å; S119-A121 VanDerWaalsContact C-N 3.3Å; S119-A121 PolarHBondContact O-N 3.4Å; A121-K129 HydrophobicContact CB-CB 3.87Å; A121-K129 HydrophobicContact CB-CD 4.34Å; A121-K129 HydrophobicContact CB-CG 3.79Å; A121-K129 WeakPolarHBondContact O-CE 3.43Å; A121-K129 PolarHBondContact O-NZ 3.37Å; A121-R132 HydrophobicContact CB-CB 4.41Å
122G86.9Confident91.5Very high2 Ų249.3 Ų49.32%0.02126%0.261CS..  trans-88.1-6.5-178.500000114.3H293G122-H293 PolarHBondContact O-ND1 2.75Å
123E90.8Very high91.4Very high37 Ų3749.3 Ų49.317%0.17326%0.261CS..  trans-64.1141.7-176.4-74.569.9-177.700110.9K129 R132E123-K129 HydrophobicContact CB-CG 4Å; E123-K129 WeakPolarHBondContact O-CE 3.42Å; E123-K129 WeakPolarHBondContact O-CG 3.19Å; E123-R132 HydrophobicContact CG-CB 4.41Å; E123-R132 WeakPolarHBondContact OE1-CD 3.3Å; E123-R132 WeakPolarHBondContact OE1-CG 3.09Å; E123-R132 IonicContact OE1-CZ 3.75Å; E123-R132 IonicContact OE1-NH1 2.7Å; E123-R132 PolarHBondContact OE1-NH1 2.88Å
124F88.8Confident91.4Very high58 Ų5852.9 Ų52.925%0.25428%0.278SS..SBendtrans-79.4-19.4-170.8-60.2-86.7000113.8L252 V255 I256 A290 H293F124-L252 HydrophobicContact CB-CD2 4.27Å; F124-L252 HydrophobicContact CD1-CD2 4.06Å; F124-L252 HydrophobicContact CD2-CD1 4.35Å; F124-L252 HydrophobicContact CD2-CD2 3.8Å; F124-L252 HydrophobicContact CE1-CB 4.27Å; F124-L252 HydrophobicContact CE1-CD2 4.35Å; F124-L252 HydrophobicContact CE2-CB 4.22Å; F124-L252 HydrophobicContact CE2-CD1 4.16Å; F124-L252 HydrophobicContact CE2-CD2 4.12Å; F124-L252 HydrophobicContact CE2-CG 4.4Å; F124-L252 HydrophobicContact CG-CD2 3.77Å; F124-L252 HydrophobicContact CZ-CB 3.98Å; F124-L252 HydrophobicContact CZ-CD2 4.38Å; F124-V255 HydrophobicContact CD1-CG1 4.35Å; F124-V255 HydrophobicContact CE1-CG1 4.47Å; F124-I256 HydrophobicContact CE1-CG1 4.15Å; F124-I256 HydrophobicContact CZ-CD1 4.23Å; F124-I256 HydrophobicContact CZ-CG1 4.28Å; F124-A290 HydrophobicContact CE2-CB 4.36Å; F124-H293 AromaticContact CD1-ND1 3.85Å; F124-H293 HydrophobicContact CE1-CB 4.16Å; F124-H293 AromaticContact CE1-CG 3.85Å; F124-H293 AromaticContact CE1-ND1 3.55Å; F124-H293 HydrophobicContact CZ-CB 4Å
125T90.8Very high91.3Very high84 Ų8455.7 Ų55.752%0.51529%0.293SS..SBendtrans-111.1145.3-177.963.40000111.6V127 G128 K129T125-V127 VanDerWaalsContact C-N 3.31Å; T125-V127 PolarHBondContact O-N 3.26Å; T125-G128 WeakPolarHBondContact O-CA 3.36Å; T125-G128 PolarHBondContact O-N 2.96Å; T125-G128 VanDerWaalsContact O-N 3.09Å; T125-G128 PolarHBondContact OG1-N 3.48Å; T125-G128 VanDerWaalsContact OG1-N 3.15Å; T125-K129 WeakPolarHBondContact O-CG 3.28Å; T125-K129 PolarHBondContact O-N 3.33Å
126P89.5Confident91.1Very high88 Ų8856.3 Ų56.357%0.57130%0.297SS*.Hα-helixtrans-56.5-42.4177.6-26.935.1000113.3Y118 G128 K129 L130Y118-P126 WeakPolarHBondContact CE2-O 3.22Å; P126-G128 VanDerWaalsContact C-N 3.34Å; P126-G128 PolarHBondContact O-N 3.22Å; P126-K129 PolarHBondContact O-N 2.91Å; P126-L130 PolarHBondContact O-N 3.1Å
127V93.6Very high91.1Very high115 Ų11556 Ų5670%0.69730%0.296SS*.Hα-helixtrans-64.8-40177.1-179.20000111.1T125 L130 K131T125-V127 VanDerWaalsContact C-N 3.31Å; T125-V127 PolarHBondContact O-N 3.26Å; V127-L130 PolarHBondContact O-N 2.78Å; V127-K131 WeakPolarHBondContact O-CB 3.48Å; V127-K131 PolarHBondContact O-N 2.66Å
128G91.7Very high91.2Very high20 Ų2057.8 Ų57.821%0.20631%0.312CS..Hα-helixtrans-60.8-44174.300000112T125 P126 K131 R132T125-G128 WeakPolarHBondContact O-CA 3.36Å; T125-G128 PolarHBondContact O-N 2.96Å; T125-G128 VanDerWaalsContact O-N 3.09Å; T125-G128 PolarHBondContact OG1-N 3.48Å; T125-G128 VanDerWaalsContact OG1-N 3.15Å; P126-G128 VanDerWaalsContact C-N 3.34Å; P126-G128 PolarHBondContact O-N 3.22Å; G128-K131 PolarHBondContact O-N 2.81Å; G128-R132 WeakPolarHBondContact O-CB 3.42Å; G128-R132 PolarHBondContact O-N 3.31Å
129K92.1Very high91Very high50 Ų5057.3 Ų57.322%0.21732%0.324CS..Hα-helixtrans-62.3-44.5175.3-69-168.6174.7-159.20112.5Y118 A121 E123 T125 P126 R132 A133Y118-K129 HydrophobicContact CD2-CB 3.67Å; Y118-K129 HydrophobicContact CE1-CD 4.32Å; Y118-K129 HydrophobicContact CE2-CB 3.42Å; Y118-K129 VanDerWaalsContact CE2-CB 3.42Å; Y118-K129 HydrophobicContact CE2-CD 4.49Å; Y118-K129 HydrophobicContact CG-CB 4.36Å; A121-K129 HydrophobicContact CB-CB 3.87Å; A121-K129 HydrophobicContact CB-CD 4.34Å; A121-K129 HydrophobicContact CB-CG 3.79Å; A121-K129 WeakPolarHBondContact O-CE 3.43Å; A121-K129 PolarHBondContact O-NZ 3.37Å; E123-K129 HydrophobicContact CB-CG 4Å; E123-K129 WeakPolarHBondContact O-CE 3.42Å; E123-K129 WeakPolarHBondContact O-CG 3.19Å; T125-K129 WeakPolarHBondContact O-CG 3.28Å; T125-K129 PolarHBondContact O-N 3.33Å; P126-K129 PolarHBondContact O-N 2.91Å; K129-R132 PolarHBondContact O-N 3.47Å; K129-A133 WeakPolarHBondContact O-CB 3.23Å; K129-A133 PolarHBondContact O-N 3.13Å
130L92.9Very high90.9Very high90 Ų9062.4 Ų62.447%0.47134%0.339SS..Hα-helixtrans-64.9-46178.1-179.161.4000111.9Y118 P126 V127 R132 A133 L134Y118-L130 HydrophobicContact CD2-CB 4.19Å; Y118-L130 HydrophobicContact CE2-CB 4.16Å; P126-L130 PolarHBondContact O-N 3.1Å; V127-L130 PolarHBondContact O-N 2.78Å; L130-R132 VanDerWaalsContact C-N 3.26Å; L130-R132 PolarHBondContact O-N 3.05Å; L130-A133 WeakPolarHBondContact O-CB 3.18Å; L130-A133 PolarHBondContact O-N 2.86Å; L130-L134 HydrophobicContact CD1-CD1 4.47Å; L130-L134 HydrophobicContact CD1-CG 4.49Å; L130-L134 HydrophobicContact CG-CD1 4.24Å; L130-L134 WeakPolarHBondContact O-CG 3.47Å; L130-L134 PolarHBondContact O-N 3.47Å
131K94.2Very high91.2Very high140 Ų14064 Ų6461%0.60934%0.343SS*.Hα-helixtrans-57-44.6174.4-177.6179.2179.3-179.90110.4V127 G128 L134 I135V127-K131 WeakPolarHBondContact O-CB 3.48Å; V127-K131 PolarHBondContact O-N 2.66Å; G128-K131 PolarHBondContact O-N 2.81Å; K131-L134 PolarHBondContact O-N 3.42Å; K131-I135 HydrophobicContact CG-CD1 3.87Å; K131-I135 VanDerWaalsContact O-CG1 3.26Å; K131-I135 WeakPolarHBondContact O-CG1 3.43Å; K131-I135 PolarHBondContact O-N 2.91Å
132R90.9Very high91.3Very high72 Ų7265.1 Ų65.127%0.27236%0.355SS..Hα-helixtrans-65.7-39.9178.3-171.663.9-172.6-110.49.8112.3A121 E123 G128 K129 L130 L134 I135 N136A121-R132 HydrophobicContact CB-CB 4.41Å; E123-R132 HydrophobicContact CG-CB 4.41Å; E123-R132 WeakPolarHBondContact OE1-CD 3.3Å; E123-R132 WeakPolarHBondContact OE1-CG 3.09Å; E123-R132 IonicContact OE1-CZ 3.75Å; E123-R132 IonicContact OE1-NH1 2.7Å; E123-R132 PolarHBondContact OE1-NH1 2.88Å; G128-R132 WeakPolarHBondContact O-CB 3.42Å; G128-R132 PolarHBondContact O-N 3.31Å; K129-R132 PolarHBondContact O-N 3.47Å; L130-R132 VanDerWaalsContact C-N 3.26Å; L130-R132 PolarHBondContact O-N 3.05Å; R132-L134 VanDerWaalsContact C-N 3.35Å; R132-I135 PolarHBondContact O-N 3.25Å; R132-N136 PolarHBondContact NE-OD1 2.89Å; R132-N136 WeakPolarHBondContact O-CB 3.29Å; R132-N136 PolarHBondContact O-N 3.33Å
133A93.7Very high91.5Very high0 Ų068.6 Ų68.60%038%0.376CS..Hα-helixtrans-62.8-41.5177.200000112.2K129 L130 N137K129-A133 WeakPolarHBondContact O-CB 3.23Å; K129-A133 PolarHBondContact O-N 3.13Å; L130-A133 WeakPolarHBondContact O-CB 3.18Å; L130-A133 PolarHBondContact O-N 2.86Å; A133-N137 WeakPolarHBondContact O-CB 3.41Å; A133-N137 PolarHBondContact O-N 3.25Å; A133-N137 PolarHBondContact O-ND2 3.33Å
134L93.6Very high91.5Very high90 Ų9071.1 Ų71.147%0.47138%0.384SS..Hα-helixtrans-64.5-46.9175-73166.3000111.3L114 L130 K131 R132 N137 A138L114-L134 HydrophobicContact CD1-CD2 4.49Å; L114-L134 HydrophobicContact CD2-CD2 3.8Å; L114-L134 HydrophobicContact CD2-CG 4.47Å; L130-L134 HydrophobicContact CD1-CD1 4.47Å; L130-L134 HydrophobicContact CD1-CG 4.49Å; L130-L134 HydrophobicContact CG-CD1 4.24Å; L130-L134 WeakPolarHBondContact O-CG 3.47Å; L130-L134 PolarHBondContact O-N 3.47Å; K131-L134 PolarHBondContact O-N 3.42Å; R132-L134 VanDerWaalsContact C-N 3.35Å; L134-N137 PolarHBondContact O-N 3.17Å; L134-A138 WeakPolarHBondContact O-CB 3.5Å; L134-A138 PolarHBondContact O-N 2.73Å
135I92Very high91.6Very high96 Ų9673.6 Ų73.649%0.49240%0.4SS..Hα-helixtrans-63.2-45.2179.2-67.4166.3000111.2K131 R132 N137 A138K131-I135 HydrophobicContact CG-CD1 3.87Å; K131-I135 VanDerWaalsContact O-CG1 3.26Å; K131-I135 WeakPolarHBondContact O-CG1 3.43Å; K131-I135 PolarHBondContact O-N 2.91Å; R132-I135 PolarHBondContact O-N 3.25Å; I135-N137 VanDerWaalsContact C-N 3.3Å; I135-N137 PolarHBondContact O-N 3Å; I135-A138 WeakPolarHBondContact O-CB 3.4Å; I135-A138 PolarHBondContact O-N 3.46Å
136N88.8Confident91.7Very high54 Ų5474.4 Ų74.429%0.28940%0.4SS..Hα-helixtrans-65.1-35.3179.5-69.5-10.4000111.7R132 Y140R132-N136 PolarHBondContact NE-OD1 2.89Å; R132-N136 WeakPolarHBondContact O-CB 3.29Å; R132-N136 PolarHBondContact O-N 3.33Å; N136-Y140 WeakPolarHBondContact O-CD2 3.31Å
137N92.3Very high91.6Very high8 Ų874.3 Ų74.34%0.04340%0.397CS..Hα-helixtrans-79.6-22.2176.1-79-72.8000113.7P113 L114 S117 A133 L134 I135 A139 Y140 Y141P113-N137 PolarHBondContact O-ND2 3.19Å; P113-N137 VanDerWaalsContact O-ND2 3.12Å; L114-N137 HydrophobicContact CD2-CB 4.05Å; S117-N137 WeakPolarHBondContact CB-ND2 3.45Å; S117-N137 PolarHBondContact OG-ND2 3.39Å; A133-N137 WeakPolarHBondContact O-CB 3.41Å; A133-N137 PolarHBondContact O-N 3.25Å; A133-N137 PolarHBondContact O-ND2 3.33Å; L134-N137 PolarHBondContact O-N 3.17Å; I135-N137 VanDerWaalsContact C-N 3.3Å; I135-N137 PolarHBondContact O-N 3Å; N137-A139 PolarHBondContact O-N 3.5Å; N137-Y140 PolarHBondContact O-N 3.28Å; N137-Y140 VanDerWaalsContact O-N 3.08Å; N137-Y141 HydrophobicContact CB-CD2 3.93Å; N137-Y141 HydrophobicContact CB-CE2 3.51Å; N137-Y141 VanDerWaalsContact O-CD2 3.26Å; N137-Y141 WeakPolarHBondContact O-CD2 3.49Å; N137-Y141 PolarHBondContact O-N 3.46Å
138A93.1Very high91.3Very high56 Ų5671.5 Ų71.546%0.46338%0.376SS..Hα-helixtrans-58.8-34.9-179.400000112.4L134 I135 G142L134-A138 WeakPolarHBondContact O-CB 3.5Å; L134-A138 PolarHBondContact O-N 2.73Å; I135-A138 WeakPolarHBondContact O-CB 3.4Å; I135-A138 PolarHBondContact O-N 3.46Å; A138-G142 PolarHBondContact O-N 3.44Å
139A88.5Confident91.2Very high69 Ų6973.6 Ų73.657%0.5739%0.385SS*.Hα-helixtrans-62.5-47.8174.300000111.7N137 G142 T143N137-A139 PolarHBondContact O-N 3.5Å; A139-G142 PolarHBondContact O-N 2.86Å; A139-T143 WeakPolarHBondContact O-CG2 3.38Å; A139-T143 PolarHBondContact O-N 2.87Å
140Y88.2Confident91Very high140 Ų14078 Ų7855%0.54940%0.404SS..Hα-helixtrans-64.8-45.9178.2-61.8-68.4000111.8N136 N137 G142 T143 Y144N136-Y140 WeakPolarHBondContact O-CD2 3.31Å; N137-Y140 PolarHBondContact O-N 3.28Å; N137-Y140 VanDerWaalsContact O-N 3.08Å; Y140-G142 VanDerWaalsContact C-N 3.27Å; Y140-G142 PolarHBondContact O-N 2.78Å; Y140-T143 PolarHBondContact O-N 2.93Å; Y140-T143 VanDerWaalsContact O-N 3.12Å; Y140-T143 PolarHBondContact O-OG1 3.33Å; Y140-Y144 WeakPolarHBondContact O-CD2 3.48Å; Y140-Y144 PolarHBondContact O-N 2.99Å
141Y92.7Very high90.5Very high70 Ų7075.2 Ų75.228%0.27539%0.39SS..Hα-helixtrans-63.7-33.9175.4-62.6-44.1000112.5W109 L114 N137 Y144 L145W109-Y141 VanDerWaalsContact O-CE1 3.23Å; W109-Y141 WeakPolarHBondContact O-CE1 3.21Å; W109-Y141 PolarHBondContact O-OH 2.96Å; W109-Y141 VanDerWaalsContact O-OH 3.1Å; L114-Y141 HydrophobicContact CD2-CE2 4.3Å; N137-Y141 HydrophobicContact CB-CD2 3.93Å; N137-Y141 HydrophobicContact CB-CE2 3.51Å; N137-Y141 VanDerWaalsContact O-CD2 3.26Å; N137-Y141 WeakPolarHBondContact O-CD2 3.49Å; N137-Y141 PolarHBondContact O-N 3.46Å; Y141-Y144 AromaticContact CD1-CD2 3.98Å; Y141-Y144 HydrophobicContact CD1-CD2 3.98Å; Y141-Y144 HydrophobicContact CD1-CE2 4.31Å; Y141-Y144 PolarHBondContact O-N 3.16Å; Y141-L145 WeakPolarHBondContact O-CB 3.41Å; Y141-L145 PolarHBondContact O-N 2.95Å
142G93.3Very high90Very high29 Ų2970.4 Ų70.430%0.29937%0.37SS..Hα-helixtrans-60.2-44.3171.300000112.1A138 A139 Y140 L145 I146A138-G142 PolarHBondContact O-N 3.44Å; A139-G142 PolarHBondContact O-N 2.86Å; Y140-G142 VanDerWaalsContact C-N 3.27Å; Y140-G142 PolarHBondContact O-N 2.78Å; G142-L145 PolarHBondContact O-N 3.48Å; G142-I146 WeakPolarHBondContact O-CG1 3.31Å; G142-I146 PolarHBondContact O-N 3.35Å
143T90.3Very high89.8Confident74 Ų7471.1 Ų71.145%0.45438%0.379SS..Hα-helixtrans-64.2-41.1175.662.40000112.5A139 Y140 L145 I146 V147A139-T143 WeakPolarHBondContact O-CG2 3.38Å; A139-T143 PolarHBondContact O-N 2.87Å; Y140-T143 PolarHBondContact O-N 2.93Å; Y140-T143 VanDerWaalsContact O-N 3.12Å; Y140-T143 PolarHBondContact O-OG1 3.33Å; T143-L145 VanDerWaalsContact C-N 3.33Å; T143-L145 PolarHBondContact O-N 3.35Å; T143-I146 PolarHBondContact O-N 3.33Å; T143-V147 WeakPolarHBondContact O-CG2 3.42Å; T143-V147 PolarHBondContact O-N 3.47Å; T143-V147 VanDerWaalsContact O-N 3.09Å
144Y89.9Confident89.3Confident90 Ų9076.3 Ų76.335%0.35340%0.399SS..Hα-helixtrans-65.4-37.8175.8-59-35.5000112.1W109 Y140 Y141 I146 V147 F148W109-Y144 HydrophobicContact CE3-CE2 4.26Å; W109-Y144 HydrophobicContact CZ3-CD2 4.44Å; W109-Y144 HydrophobicContact CZ3-CE1 4.37Å; W109-Y144 AromaticContact CZ3-CE2 3.99Å; W109-Y144 HydrophobicContact CZ3-CE2 3.99Å; W109-Y144 AromaticContact CZ3-CZ 3.96Å; Y140-Y144 WeakPolarHBondContact O-CD2 3.48Å; Y140-Y144 PolarHBondContact O-N 2.99Å; Y141-Y144 AromaticContact CD1-CD2 3.98Å; Y141-Y144 HydrophobicContact CD1-CD2 3.98Å; Y141-Y144 HydrophobicContact CD1-CE2 4.31Å; Y141-Y144 PolarHBondContact O-N 3.16Å; Y144-I146 VanDerWaalsContact C-N 3.34Å; Y144-V147 PolarHBondContact O-N 2.86Å; Y144-F148 VanDerWaalsContact O-CB 3.23Å; Y144-F148 WeakPolarHBondContact O-CB 3.39Å; Y144-F148 PolarHBondContact O-N 2.97Å
145L90.6Very high88.7Confident111 Ų11172.2 Ų72.258%0.58138%0.378SS*.Hα-helixtrans-62.9-42.1176.2-174.864.6000111.2Y141 G142 T143 F148 T149Y141-L145 WeakPolarHBondContact O-CB 3.41Å; Y141-L145 PolarHBondContact O-N 2.95Å; G142-L145 PolarHBondContact O-N 3.48Å; T143-L145 VanDerWaalsContact C-N 3.33Å; T143-L145 PolarHBondContact O-N 3.35Å; L145-F148 PolarHBondContact O-N 3.36Å; L145-T149 PolarHBondContact O-N 3.48Å; L145-T149 PolarHBondContact O-OG1 2.85Å
146I93.3Very high88.4Confident100 Ų10071.3 Ų71.351%0.51338%0.377SS..Hα-helixtrans-60.5-50.2175.8-69165000110.7G142 T143 Y144 F148 T149 F150G142-I146 WeakPolarHBondContact O-CG1 3.31Å; G142-I146 PolarHBondContact O-N 3.35Å; T143-I146 PolarHBondContact O-N 3.33Å; Y144-I146 VanDerWaalsContact C-N 3.34Å; I146-F148 VanDerWaalsContact C-N 3.31Å; I146-F148 PolarHBondContact O-N 3.4Å; I146-T149 PolarHBondContact O-N 3.15Å; I146-F150 HydrophobicContact CG2-CD2 3.88Å; I146-F150 HydrophobicContact CG2-CE2 3.61Å; I146-F150 WeakPolarHBondContact O-CD2 3.45Å; I146-F150 PolarHBondContact O-N 3.08Å
147V88.1Confident88.3Confident86 Ų8675.2 Ų75.252%0.52140%0.397SS..Hα-helixtrans-59.7-43.9177.7174.20000110.8T143 Y144 T149 F150 L151T143-V147 WeakPolarHBondContact O-CG2 3.42Å; T143-V147 PolarHBondContact O-N 3.47Å; T143-V147 VanDerWaalsContact O-N 3.09Å; Y144-V147 PolarHBondContact O-N 2.86Å; V147-T149 PolarHBondContact O-N 3.43Å; V147-F150 PolarHBondContact O-N 2.99Å; V147-L151 HydrophobicContact CG1-CD1 4.34Å; V147-L151 WeakPolarHBondContact O-CG 3.04Å; V147-L151 PolarHBondContact O-N 3.05Å
148F87Confident87.7Confident56 Ų5677.7 Ų77.725%0.24641%0.414CS..Hα-helixtrans-60.7-43.6176.7-177-109.2000111.7Y144 L145 I146 F150 L151 L152 L167 I170 C171Y144-F148 VanDerWaalsContact O-CB 3.23Å; Y144-F148 WeakPolarHBondContact O-CB 3.39Å; Y144-F148 PolarHBondContact O-N 2.97Å; L145-F148 PolarHBondContact O-N 3.36Å; I146-F148 VanDerWaalsContact C-N 3.31Å; I146-F148 PolarHBondContact O-N 3.4Å; F148-F150 VanDerWaalsContact C-N 3.34Å; F148-F150 PolarHBondContact O-N 3.37Å; F148-L151 PolarHBondContact O-N 3.39Å; F148-L152 HydrophobicContact CD1-CD1 3.9Å; F148-L152 HydrophobicContact CD1-CG 4.21Å; F148-L152 HydrophobicContact CE1-CD1 3.47Å; F148-L152 VanDerWaalsContact CE1-CD1 3.47Å; F148-L152 HydrophobicContact CE1-CD2 4.26Å; F148-L152 HydrophobicContact CE1-CG 3.94Å; F148-L152 HydrophobicContact CE2-CD2 4.25Å; F148-L152 HydrophobicContact CE2-CG 4.46Å; F148-L152 HydrophobicContact CZ-CD1 3.98Å; F148-L152 HydrophobicContact CZ-CD2 3.91Å; F148-L152 HydrophobicContact CZ-CG 4.07Å; F148-L152 WeakPolarHBondContact O-CG 3.38Å; F148-L152 PolarHBondContact O-N 2.98Å; F148-L167 HydrophobicContact CZ-CD2 4.16Å; F148-I170 HydrophobicContact CD2-CG2 4.44Å; F148-I170 HydrophobicContact CE2-CG2 4.05Å; F148-C171 WeakPolarHBondContact CE2-SG 3.48Å
149T89.1Confident87Confident64 Ų6477.9 Ų77.939%0.39342%0.422SS..Hα-helixtrans-59.7-42.2175-58.40000111.9L145 I146 V147 L151 L152 I153L145-T149 PolarHBondContact O-N 3.48Å; L145-T149 PolarHBondContact O-OG1 2.85Å; I146-T149 PolarHBondContact O-N 3.15Å; V147-T149 PolarHBondContact O-N 3.43Å; T149-L151 PolarHBondContact O-N 3.39Å; T149-L152 PolarHBondContact O-N 3.15Å; T149-I153 HydrophobicContact CG2-CD1 4.01Å; T149-I153 VanDerWaalsContact O-CG1 3.31Å; T149-I153 WeakPolarHBondContact O-CG1 3.42Å; T149-I153 PolarHBondContact O-N 2.96Å
150F88.2Confident86.4Confident143 Ų14377.8 Ų77.863%0.62741%0.41SS*.Hα-helixtrans-62.1-42.3174.4-79.8-68.5000112.5I146 V147 F148 L152 I153 Y154I146-F150 HydrophobicContact CG2-CD2 3.88Å; I146-F150 HydrophobicContact CG2-CE2 3.61Å; I146-F150 WeakPolarHBondContact O-CD2 3.45Å; I146-F150 PolarHBondContact O-N 3.08Å; V147-F150 PolarHBondContact O-N 2.99Å; F148-F150 VanDerWaalsContact C-N 3.34Å; F148-F150 PolarHBondContact O-N 3.37Å; F150-L152 VanDerWaalsContact C-N 3.32Å; F150-L152 PolarHBondContact O-N 3.21Å; F150-I153 PolarHBondContact O-N 3.39Å; F150-Y154 WeakPolarHBondContact O-CB 3.42Å; F150-Y154 PolarHBondContact O-N 2.78Å
151L83.1Confident85.8Confident31 Ų3177.7 Ų77.716%0.16242%0.417CS..Hα-helixtrans-63.1-38175.2-68.6174.1000112V147 F148 T149 Y154 A155 I170 A174 I508V147-L151 HydrophobicContact CG1-CD1 4.34Å; V147-L151 WeakPolarHBondContact O-CG 3.04Å; V147-L151 PolarHBondContact O-N 3.05Å; F148-L151 PolarHBondContact O-N 3.39Å; T149-L151 PolarHBondContact O-N 3.39Å; L151-Y154 PolarHBondContact O-N 2.87Å; L151-A155 WeakPolarHBondContact O-CB 3.41Å; L151-A155 PolarHBondContact O-N 2.96Å; L151-I170 HydrophobicContact CB-CG2 4.38Å; L151-A174 HydrophobicContact CD1-CB 4.19Å; L151-I508 HydrophobicContact CD2-CD1 3.96Å
152L84.2Confident84.8Confident39 Ų3978 Ų7820%0.20443%0.427CS..Hα-helixtrans-66.3-42.3175.2-68.9-174.3000112.6F148 T149 F150 Y154 A155 T156 L167 I170F148-L152 HydrophobicContact CD1-CD1 3.9Å; F148-L152 HydrophobicContact CD1-CG 4.21Å; F148-L152 HydrophobicContact CE1-CD1 3.47Å; F148-L152 VanDerWaalsContact CE1-CD1 3.47Å; F148-L152 HydrophobicContact CE1-CD2 4.26Å; F148-L152 HydrophobicContact CE1-CG 3.94Å; F148-L152 HydrophobicContact CE2-CD2 4.25Å; F148-L152 HydrophobicContact CE2-CG 4.46Å; F148-L152 HydrophobicContact CZ-CD1 3.98Å; F148-L152 HydrophobicContact CZ-CD2 3.91Å; F148-L152 HydrophobicContact CZ-CG 4.07Å; F148-L152 WeakPolarHBondContact O-CG 3.38Å; F148-L152 PolarHBondContact O-N 2.98Å; T149-L152 PolarHBondContact O-N 3.15Å; F150-L152 VanDerWaalsContact C-N 3.32Å; F150-L152 PolarHBondContact O-N 3.21Å; L152-Y154 VanDerWaalsContact C-N 3.34Å; L152-A155 PolarHBondContact O-N 3.22Å; L152-T156 WeakPolarHBondContact O-CB 3.27Å; L152-T156 PolarHBondContact O-N 2.99Å; L152-T156 PolarHBondContact O-OG1 2.77Å; L152-L167 HydrophobicContact CD1-CD2 4.28Å; L152-L167 HydrophobicContact CD2-CD2 3.25Å; L152-L167 HydrophobicContact CG-CD2 4.4Å; L152-I170 HydrophobicContact CD2-CD1 4.03Å
153I86.3Confident84.3Confident88 Ų8878.7 Ų78.745%0.45143%0.428SS..Hα-helixtrans-61.3-47.1175.1-68.6166000109.4T149 F150 A155 T156 I157T149-I153 HydrophobicContact CG2-CD1 4.01Å; T149-I153 VanDerWaalsContact O-CG1 3.31Å; T149-I153 WeakPolarHBondContact O-CG1 3.42Å; T149-I153 PolarHBondContact O-N 2.96Å; F150-I153 PolarHBondContact O-N 3.39Å; I153-A155 PolarHBondContact O-N 3.43Å; I153-T156 PolarHBondContact O-N 2.66Å; I153-I157 HydrophobicContact CG2-CD1 3.65Å; I153-I157 HydrophobicContact CG2-CG1 4.38Å; I153-I157 VanDerWaalsContact O-CG1 3.26Å; I153-I157 WeakPolarHBondContact O-CG1 3.45Å; I153-I157 PolarHBondContact O-N 3.22Å
154Y83.7Confident83.8Confident109 Ų10978.1 Ų78.143%0.42744%0.436SS..Hα-helixtrans-59.4-47.1176.9177.2-93.8000112.4F150 L151 L152 T156 I157 S158 I505F150-Y154 WeakPolarHBondContact O-CB 3.42Å; F150-Y154 PolarHBondContact O-N 2.78Å; L151-Y154 PolarHBondContact O-N 2.87Å; L152-Y154 VanDerWaalsContact C-N 3.34Å; Y154-T156 VanDerWaalsContact C-N 3.32Å; Y154-T156 PolarHBondContact O-N 3.44Å; Y154-I157 PolarHBondContact O-N 2.84Å; Y154-S158 WeakPolarHBondContact O-CB 3.28Å; Y154-S158 PolarHBondContact O-N 3.3Å; Y154-S158 PolarHBondContact O-OG 2.93Å; Y154-I505 HydrophobicContact CD1-CG2 4.41Å; Y154-I505 HydrophobicContact CE1-CG2 4.07Å
155A81.1Confident83.4Confident4 Ų481.2 Ų81.23%0.03345%0.454CS..Hα-helixtrans-61.7-41177.900000111.7L151 L152 I153 S158 G159 H160 I170L151-A155 WeakPolarHBondContact O-CB 3.41Å; L151-A155 PolarHBondContact O-N 2.96Å; L152-A155 PolarHBondContact O-N 3.22Å; I153-A155 PolarHBondContact O-N 3.43Å; A155-S158 PolarHBondContact O-N 2.96Å; A155-G159 PolarHBondContact O-N 3.32Å; A155-H160 WeakPolarHBondContact O-CB 3.5Å; A155-H160 PolarHBondContact O-N 3.29Å; A155-I170 HydrophobicContact CB-CD1 3.87Å
156T84.2Confident82.9Confident76 Ų7677.7 Ų77.747%0.46644%0.436SS..Hα-helixtrans-66.1-42.7177.5-53.20000111.4L152 I153 Y154 S158 G159 H160L152-T156 WeakPolarHBondContact O-CB 3.27Å; L152-T156 PolarHBondContact O-N 2.99Å; L152-T156 PolarHBondContact O-OG1 2.77Å; I153-T156 PolarHBondContact O-N 2.66Å; Y154-T156 VanDerWaalsContact C-N 3.32Å; Y154-T156 PolarHBondContact O-N 3.44Å; T156-S158 VanDerWaalsContact C-N 3.27Å; T156-S158 PolarHBondContact O-N 3.43Å; T156-G159 PolarHBondContact O-N 3.46Å; T156-G159 VanDerWaalsContact O-N 3.12Å; T156-H160 WeakPolarHBondContact CA-O 3.39Å
157I86.5Confident82.4Confident137 Ų13775.6 Ų75.670%0.70343%0.426SS*.Hα-helixtrans-64-35.3175.2-68.2167.2000111I153 Y154 G159I153-I157 HydrophobicContact CG2-CD1 3.65Å; I153-I157 HydrophobicContact CG2-CG1 4.38Å; I153-I157 VanDerWaalsContact O-CG1 3.26Å; I153-I157 WeakPolarHBondContact O-CG1 3.45Å; I153-I157 PolarHBondContact O-N 3.22Å; Y154-I157 PolarHBondContact O-N 2.84Å; I157-G159 PolarHBondContact O-N 2.96Å
158S80.4Confident82.3Confident59 Ų5976 Ų7641%0.41342%0.42SS..THydrogen-bonded Turntrans-73.50.9176.8-53.80000113.3Y154 A155 T156Y154-S158 WeakPolarHBondContact O-CB 3.28Å; Y154-S158 PolarHBondContact O-N 3.3Å; Y154-S158 PolarHBondContact O-OG 2.93Å; A155-S158 PolarHBondContact O-N 2.96Å; T156-S158 VanDerWaalsContact C-N 3.27Å; T156-S158 PolarHBondContact O-N 3.43Å
159G79.3Confident82Confident60 Ų6074.2 Ų74.262%0.61941%0.414SS*.THydrogen-bonded Turntrans93.62.5175.900000115A155 T156 I157A155-G159 PolarHBondContact O-N 3.32Å; T156-G159 PolarHBondContact O-N 3.46Å; T156-G159 VanDerWaalsContact O-N 3.12Å; I157-G159 PolarHBondContact O-N 2.96Å
160H75.8Confident81.7Confident68 Ų6871.4 Ų71.432%0.31540%0.397SS..  trans-87.4114.3176.4-61.9-69.8000110.9A155 T156 V504A155-H160 WeakPolarHBondContact O-CB 3.5Å; A155-H160 PolarHBondContact O-N 3.29Å; T156-H160 WeakPolarHBondContact CA-O 3.39Å; H160-V504 HydrophobicContact CB-CG1 4.13Å; H160-V504 PolarHBondContact CD2-O 3.29Å; H160-V504 VanDerWaalsContact CD2-O 3.3Å
161I74.4Confident81.5Confident137 Ų13767.6 Ų67.670%0.70339%0.387SS*.  trans-65.1136.6172.9-57.9171.3000108.5S163 N166I161-S163 VanDerWaalsContact C-N 3.28Å; I161-S163 PolarHBondContact O-N 2.92Å; I161-N166 PolarHBondContact O-ND2 3.35Å
162P71.4Confident81.7Confident76 Ų7666.3 Ų66.349%0.49438%0.38SS..  trans-67.584.5174.726.8-33.9000111L167P162-L167 HydrophobicContact CB-CD2 4.37Å
163S82.5Confident81.6Confident45 Ų4564.5 Ų64.532%0.31537%0.371SS..  trans-90156.9167.574.40000110.2I161 E165 N166 L167I161-S163 VanDerWaalsContact C-N 3.28Å; I161-S163 PolarHBondContact O-N 2.92Å; S163-E165 PolarHBondContact O-N 3.32Å; S163-N166 PolarHBondContact O-N 3.13Å; S163-N166 VanDerWaalsContact O-N 3.12Å; S163-N166 WeakPolarHBondContact OG-CB 3.42Å; S163-N166 PolarHBondContact OG-N 3.39Å; S163-N166 VanDerWaalsContact OG-N 3.14Å; S163-N166 PolarHBondContact OG-ND2 3.24Å; S163-N166 PolarHBondContact OG-OD1 2.92Å; S163-L167 VanDerWaalsContact O-CG 3.28Å; S163-L167 WeakPolarHBondContact O-CG 3.34Å; S163-L167 PolarHBondContact O-N 2.87Å
164G81Confident81.6Confident61 Ų6161.9 Ų61.963%0.62936%0.363SS*.Hα-helixtrans-56.4-34.3177.800000113.6K168G164-K168 WeakPolarHBondContact O-CB 3.48Å; G164-K168 PolarHBondContact O-N 3.28Å
165E81.1Confident81.8Confident155 Ų15557.4 Ų57.472%0.72435%0.347SS*.Hα-helixtrans-72.6-40.7176.4-64.7-173.7154.200112.5S163 K168 T169S163-E165 PolarHBondContact O-N 3.32Å; E165-K168 PolarHBondContact O-N 2.95Å; E165-T169 PolarHBondContact O-N 2.94Å; E165-T169 PolarHBondContact O-OG1 3.18Å
166N79.6Confident82.1Confident38 Ų3857.4 Ų57.420%0.20335%0.347CS..Hα-helixtrans-64.9-43.2175.5-69.2-8.1000110.6I161 S163 K168 T169 I170 V504I161-N166 PolarHBondContact O-ND2 3.35Å; S163-N166 PolarHBondContact O-N 3.13Å; S163-N166 VanDerWaalsContact O-N 3.12Å; S163-N166 WeakPolarHBondContact OG-CB 3.42Å; S163-N166 PolarHBondContact OG-N 3.39Å; S163-N166 VanDerWaalsContact OG-N 3.14Å; S163-N166 PolarHBondContact OG-ND2 3.24Å; S163-N166 PolarHBondContact OG-OD1 2.92Å; N166-K168 PolarHBondContact O-N 3.49Å; N166-T169 PolarHBondContact O-N 3.12Å; N166-I170 WeakPolarHBondContact O-CG1 3.47Å; N166-I170 PolarHBondContact O-N 2.88Å; N166-V504 HydrophobicContact CB-CG1 4.18Å; N166-V504 HydrophobicContact CB-CG2 4.46Å
167L84Confident82.2Confident56 Ų5654.9 Ų54.929%0.29333%0.331SS..Hα-helixtrans-59.1-45.5175.4-67.8175.6000111.7F148 L152 P162 S163 T169 I170 C171F148-L167 HydrophobicContact CZ-CD2 4.16Å; L152-L167 HydrophobicContact CD1-CD2 4.28Å; L152-L167 HydrophobicContact CD2-CD2 3.25Å; L152-L167 HydrophobicContact CG-CD2 4.4Å; P162-L167 HydrophobicContact CB-CD2 4.37Å; S163-L167 VanDerWaalsContact O-CG 3.28Å; S163-L167 WeakPolarHBondContact O-CG 3.34Å; S163-L167 PolarHBondContact O-N 2.87Å; L167-T169 VanDerWaalsContact C-N 3.34Å; L167-T169 PolarHBondContact O-N 3.32Å; L167-I170 PolarHBondContact O-N 3.47Å; L167-C171 PolarHBondContact O-N 3.42Å; L167-C171 PolarHBondContact O-SG 2.86Å; L167-C171 VanDerWaalsContact O-SG 3.34Å
168K85Confident82.3Confident94 Ų9453.4 Ų53.441%0.40932%0.317SS..Hα-helixtrans-57.6-48175.2175.1-170.2159.8-172.90110.9W102 G164 E165 N166 C171 I172W102-K168 HydrophobicContact CH2-CG 4.28Å; G164-K168 WeakPolarHBondContact O-CB 3.48Å; G164-K168 PolarHBondContact O-N 3.28Å; E165-K168 PolarHBondContact O-N 2.95Å; N166-K168 PolarHBondContact O-N 3.49Å; K168-C171 WeakPolarHBondContact O-CB 3.42Å; K168-C171 PolarHBondContact O-N 3.01Å; K168-I172 HydrophobicContact CD-CD1 4.45Å; K168-I172 HydrophobicContact CG-CD1 3.91Å; K168-I172 WeakPolarHBondContact O-CG1 3.3Å; K168-I172 PolarHBondContact O-N 2.69Å
169T81.2Confident82.9Confident19 Ų1950.6 Ų50.612%0.11730%0.297CS..Hα-helixtrans-63.5-43.3-178.2-55.90000111.6E165 N166 L167 C171 I172 A173 H501 L502 V504E165-T169 PolarHBondContact O-N 2.94Å; E165-T169 PolarHBondContact O-OG1 3.18Å; N166-T169 PolarHBondContact O-N 3.12Å; L167-T169 VanDerWaalsContact C-N 3.34Å; L167-T169 PolarHBondContact O-N 3.32Å; T169-C171 VanDerWaalsContact C-N 3.34Å; T169-C171 PolarHBondContact O-N 3.38Å; T169-I172 PolarHBondContact O-N 3.08Å; T169-A173 WeakPolarHBondContact O-CB 3.43Å; T169-A173 PolarHBondContact O-N 3.04Å; T169-H501 VanDerWaalsContact CG2-O 3.28Å; T169-H501 WeakPolarHBondContact CG2-O 3.25Å; T169-L502 HydrophobicContact CG2-CD2 4.14Å; T169-V504 HydrophobicContact CG2-CB 4.32Å; T169-V504 HydrophobicContact CG2-CG2 3.94Å
170I82.4Confident83.4Confident5 Ų548.3 Ų48.33%0.02627%0.271CS..Hα-helixtrans-57.5-46.2174.2-69.3166.9000110.9F148 L151 L152 A155 N166 L167 A173 A174 V504 I505F148-I170 HydrophobicContact CD2-CG2 4.44Å; F148-I170 HydrophobicContact CE2-CG2 4.05Å; L151-I170 HydrophobicContact CB-CG2 4.38Å; L152-I170 HydrophobicContact CD2-CD1 4.03Å; A155-I170 HydrophobicContact CB-CD1 3.87Å; N166-I170 WeakPolarHBondContact O-CG1 3.47Å; N166-I170 PolarHBondContact O-N 2.88Å; L167-I170 PolarHBondContact O-N 3.47Å; I170-A173 PolarHBondContact O-N 3.05Å; I170-A174 WeakPolarHBondContact O-CB 3.37Å; I170-A174 PolarHBondContact O-N 3.17Å; I170-V504 HydrophobicContact CD1-CG1 4.07Å; I170-V504 HydrophobicContact CG1-CG1 3.92Å; I170-I505 HydrophobicContact CB-CD1 4.25Å; I170-I505 HydrophobicContact CG1-CD1 3.94Å; I170-I505 HydrophobicContact CG1-CG1 4.06Å; I170-I505 HydrophobicContact CG2-CD1 4.03Å
171C85Confident84.1Confident62 Ų6248.6 Ų48.642%0.41927%0.271SS..Hα-helixtrans-63.4-42.9178.1-72.20000112.6F148 L167 K168 T169 S175F148-C171 WeakPolarHBondContact CE2-SG 3.48Å; L167-C171 PolarHBondContact O-N 3.42Å; L167-C171 PolarHBondContact O-SG 2.86Å; L167-C171 VanDerWaalsContact O-SG 3.34Å; K168-C171 WeakPolarHBondContact O-CB 3.42Å; K168-C171 PolarHBondContact O-N 3.01Å; T169-C171 VanDerWaalsContact C-N 3.34Å; T169-C171 PolarHBondContact O-N 3.38Å; C171-S175 VanDerWaalsContact O-CB 3.26Å; C171-S175 WeakPolarHBondContact O-CB 3.48Å; C171-S175 PolarHBondContact O-N 3.28Å
172I86.2Confident85Confident4 Ų445.6 Ų45.62%0.02125%0.251CS..Hα-helixtrans-63.4-48.1177.2-68.5174.1000110.1Y101 W102 K168 T169 A174 S175 N176 M499 L502Y101-I172 HydrophobicContact CE1-CD1 4.47Å; Y101-I172 HydrophobicContact CE1-CG1 4.39Å; Y101-I172 WeakPolarHBondContact OH-CG1 3.46Å; Y101-I172 WeakPolarHBondContact OH-CG2 3.18Å; W102-I172 HydrophobicContact CH2-CD1 4.2Å; W102-I172 HydrophobicContact CH2-CG1 4.47Å; W102-I172 HydrophobicContact CZ2-CD1 4.38Å; K168-I172 HydrophobicContact CD-CD1 4.45Å; K168-I172 HydrophobicContact CG-CD1 3.91Å; K168-I172 WeakPolarHBondContact O-CG1 3.3Å; K168-I172 PolarHBondContact O-N 2.69Å; T169-I172 PolarHBondContact O-N 3.08Å; I172-A174 PolarHBondContact O-N 3.02Å; I172-S175 PolarHBondContact O-N 3.36Å; I172-N176 WeakPolarHBondContact O-CB 3.26Å; I172-N176 VanDerWaalsContact O-CG 3.27Å; I172-N176 PolarHBondContact O-N 2.98Å; I172-N176 PolarHBondContact O-ND2 3.34Å; I172-M499 WeakPolarHBondContact CD1-O 3.33Å; I172-M499 HydrophobicContact CG2-CB 4.26Å; I172-L502 HydrophobicContact CB-CD2 4.45Å; I172-L502 HydrophobicContact CG2-CD2 3.97Å
173A83.6Confident86.1Confident1 Ų142.1 Ų42.11%0.00823%0.228CC..Hα-helixtrans-56.9-51.117800000111.7T169 I170 S175 N176 T177 L502T169-A173 WeakPolarHBondContact O-CB 3.43Å; T169-A173 PolarHBondContact O-N 3.04Å; I170-A173 PolarHBondContact O-N 3.05Å; A173-S175 PolarHBondContact O-N 3.41Å; A173-N176 PolarHBondContact O-N 3.03Å; A173-T177 WeakPolarHBondContact O-CB 3.34Å; A173-T177 PolarHBondContact O-N 3.47Å; A173-T177 PolarHBondContact O-OG1 3.46Å; A173-L502 HydrophobicContact CB-CD2 3.67Å
174A85Confident86.6Confident34 Ų3440.1 Ų40.128%0.28121%0.214SC..Hα-helixtrans-62.9-43.2-179.700000112.1L151 I170 I172 T177 W178L151-A174 HydrophobicContact CD1-CB 4.19Å; I170-A174 WeakPolarHBondContact O-CB 3.37Å; I170-A174 PolarHBondContact O-N 3.17Å; I172-A174 PolarHBondContact O-N 3.02Å; A174-T177 PolarHBondContact O-N 2.79Å; A174-W178 WeakPolarHBondContact O-CB 3.5Å; A174-W178 PolarHBondContact O-N 3.06Å
175S88.5Confident87.1Confident15 Ų1540.3 Ų40.311%0.10520%0.2CC..Hα-helixtrans-61.3-47.9177.5-1750000111.7Q105 W109 C171 I172 A173 W178 G179Q105-S175 PolarHBondContact NE2-OG 3.45Å; Q105-S175 PolarHBondContact OE1-OG 2.84Å; W109-S175 PolarHBondContact NE1-OG 3.47Å; W109-S175 VanDerWaalsContact NE1-OG 3.07Å; C171-S175 VanDerWaalsContact O-CB 3.26Å; C171-S175 WeakPolarHBondContact O-CB 3.48Å; C171-S175 PolarHBondContact O-N 3.28Å; I172-S175 PolarHBondContact O-N 3.36Å; A173-S175 PolarHBondContact O-N 3.41Å; S175-W178 PolarHBondContact O-N 3.25Å; S175-G179 PolarHBondContact O-N 3.44Å
176N86.6Confident87.6Confident4 Ų433.1 Ų33.12%0.02117%0.167CC..Hα-helixtrans-65.3-40.7178.8-69.5-15000111.9I172 A173 W178 G179 M180 P467 L471 M499I172-N176 WeakPolarHBondContact O-CB 3.26Å; I172-N176 VanDerWaalsContact O-CG 3.27Å; I172-N176 PolarHBondContact O-N 2.98Å; I172-N176 PolarHBondContact O-ND2 3.34Å; A173-N176 PolarHBondContact O-N 3.03Å; N176-W178 VanDerWaalsContact C-N 3.34Å; N176-W178 PolarHBondContact O-N 3.16Å; N176-G179 PolarHBondContact O-N 3.29Å; N176-M180 WeakPolarHBondContact O-CB 3.45Å; N176-M180 PolarHBondContact O-N 2.93Å; N176-P467 VanDerWaalsContact OD1-CB 3.29Å; N176-P467 WeakPolarHBondContact OD1-CB 3.48Å; N176-L471 HydrophobicContact CB-CD1 4.27Å; N176-M499 VanDerWaalsContact ND2-CE 3.3Å; N176-M499 WeakPolarHBondContact ND2-CE 3.43Å
177T86.2Confident88.3Confident23 Ų2331.3 Ų31.314%0.14116%0.157CC..Hα-helixtrans-61.2-43.7177.2-55.60000111A173 A174 M180 F181 I508 F512A173-T177 WeakPolarHBondContact O-CB 3.34Å; A173-T177 PolarHBondContact O-N 3.47Å; A173-T177 PolarHBondContact O-OG1 3.46Å; A174-T177 PolarHBondContact O-N 2.79Å; T177-M180 PolarHBondContact O-N 2.79Å; T177-F181 PolarHBondContact O-N 3.13Å; T177-I508 HydrophobicContact CG2-CG2 3.93Å; T177-I508 WeakPolarHBondContact OG1-CG2 3.44Å; T177-F512 HydrophobicContact CG2-CD1 3.56Å; T177-F512 HydrophobicContact CG2-CE1 3.51Å; T177-F512 HydrophobicContact CG2-CG 4.44Å; T177-F512 HydrophobicContact CG2-CZ 4.37Å
178W89Confident88.7Confident105 Ų10528.6 Ų28.640%0.39814%0.143SC..Hα-helixtrans-64.4-41.5175.4-176.6-112.4000112.4W109 A174 S175 N176 F181 W182W109-W178 AromaticContact CH2-CD1 3.79Å; W109-W178 HydrophobicContact CH2-CG 4.42Å; A174-W178 WeakPolarHBondContact O-CB 3.5Å; A174-W178 PolarHBondContact O-N 3.06Å; S175-W178 PolarHBondContact O-N 3.25Å; N176-W178 VanDerWaalsContact C-N 3.34Å; N176-W178 PolarHBondContact O-N 3.16Å; W178-F181 WeakPolarHBondContact O-CB 3.22Å; W178-F181 PolarHBondContact O-N 2.91Å; W178-W182 AromaticContact CE2-CD1 3.93Å; W178-W182 AromaticContact CE2-NE1 3.49Å; W178-W182 AromaticContact CZ2-NE1 3.37Å; W178-W182 AromaticContact NE1-CD1 3.91Å; W178-W182 AromaticContact NE1-NE1 3.71Å; W178-W182 PolarHBondContact O-N 2.89Å
179G92.2Very high89.1Confident0 Ų024.7 Ų24.70%013%0.126CC..Hα-helixtrans-62.5-42173.200000112.3S175 N176 F181 W182 L183 P468S175-G179 PolarHBondContact O-N 3.44Å; N176-G179 PolarHBondContact O-N 3.29Å; G179-F181 VanDerWaalsContact C-N 3.34Å; G179-F181 PolarHBondContact O-N 3.45Å; G179-W182 PolarHBondContact O-N 3.2Å; G179-L183 WeakPolarHBondContact O-CB 3.36Å; G179-L183 PolarHBondContact O-N 3.42Å; G179-P468 VanDerWaalsContact C-CG 3.46Å
180M90.1Very high89.7Confident13 Ų1323.8 Ų23.86%0.06412%0.12CC..Hα-helixtrans-63.1-39.6179.4-175.8177.9-89.700111.3N176 T177 W182 L183 V184 P468 N513 F516 P517N176-M180 WeakPolarHBondContact O-CB 3.45Å; N176-M180 PolarHBondContact O-N 2.93Å; T177-M180 PolarHBondContact O-N 2.79Å; M180-W182 PolarHBondContact O-N 2.87Å; M180-L183 PolarHBondContact O-N 3.44Å; M180-V184 HydrophobicContact CG-CG2 4.42Å; M180-V184 WeakPolarHBondContact O-CG2 3.28Å; M180-V184 PolarHBondContact O-N 3.23Å; M180-P468 HydrophobicContact CB-CB 4Å; M180-N513 HydrophobicContact CE-CB 4.23Å; M180-N513 HydrophobicContact SD-CB 4.04Å; M180-N513 PolarHBondContact SD-OD1 2.86Å; M180-F516 HydrophobicContact CG-CD1 4.22Å; M180-P517 HydrophobicContact CE-CG 3.85Å; M180-P517 HydrophobicContact CG-CG 4.33Å; M180-P517 HydrophobicContact SD-CG 3.63Å
181F91.5Very high90.3Very high73 Ų7323.6 Ų23.632%0.3212%0.119SC..Hα-helixtrans-50.9-53.5170.9178.8-95.9000112.2T177 W178 G179 L185 F516T177-F181 PolarHBondContact O-N 3.13Å; W178-F181 WeakPolarHBondContact O-CB 3.22Å; W178-F181 PolarHBondContact O-N 2.91Å; G179-F181 VanDerWaalsContact C-N 3.34Å; G179-F181 PolarHBondContact O-N 3.45Å; F181-L185 HydrophobicContact CD1-CD1 4.17Å; F181-L185 HydrophobicContact CE1-CD1 3.52Å; F181-L185 HydrophobicContact CE2-CD1 4.47Å; F181-L185 HydrophobicContact CZ-CD1 3.7Å; F181-L185 PolarHBondContact O-N 3Å; F181-F516 VanDerWaalsContact CA-CE1 3.47Å; F181-F516 HydrophobicContact CB-CE1 4.36Å; F181-F516 HydrophobicContact CB-CZ 4.41Å; F181-F516 HydrophobicContact CD2-CE1 4.3Å; F181-F516 HydrophobicContact CD2-CE2 4.14Å; F181-F516 AromaticContact CD2-CZ 3.54Å; F181-F516 HydrophobicContact CD2-CZ 3.54Å; F181-F516 HydrophobicContact CE2-CZ 4.2Å; F181-F516 HydrophobicContact CG-CZ 4.32Å
182W92.4Very high90.8Very high75 Ų7521.3 Ų21.328%0.28410%0.103SC..Hα-helixtrans-66-39.3178.3-78.2102.6000112.6W178 G179 M180 V184 L185 L186 L461 L465W178-W182 AromaticContact CE2-CD1 3.93Å; W178-W182 AromaticContact CE2-NE1 3.49Å; W178-W182 AromaticContact CZ2-NE1 3.37Å; W178-W182 AromaticContact NE1-CD1 3.91Å; W178-W182 AromaticContact NE1-NE1 3.71Å; W178-W182 PolarHBondContact O-N 2.89Å; G179-W182 PolarHBondContact O-N 3.2Å; M180-W182 PolarHBondContact O-N 2.87Å; W182-V184 PolarHBondContact O-N 3.47Å; W182-L185 PolarHBondContact O-N 3.48Å; W182-L186 WeakPolarHBondContact O-CB 3.31Å; W182-L186 WeakPolarHBondContact O-CG 3.41Å; W182-L186 PolarHBondContact O-N 2.78Å; W182-L461 HydrophobicContact CB-CD1 4.44Å; W182-L461 HydrophobicContact CG-CD1 4.44Å; W182-L465 HydrophobicContact CB-CD2 3.98Å
183L94.2Very high91.1Very high3 Ų321.4 Ų21.42%0.01610%0.103CC..Hα-helixtrans-60.4-46.5-179.4-179.461.3000111.8G179 M180 L185 L186 L187 A429 L465 P468 M469 N472G179-L183 WeakPolarHBondContact O-CB 3.36Å; G179-L183 PolarHBondContact O-N 3.42Å; M180-L183 PolarHBondContact O-N 3.44Å; L183-L185 PolarHBondContact O-N 3.3Å; L183-L186 PolarHBondContact O-N 2.96Å; L183-L187 HydrophobicContact CD1-CD1 3.63Å; L183-L187 HydrophobicContact CD1-CG 3.74Å; L183-L187 HydrophobicContact CD2-CD1 4.29Å; L183-L187 HydrophobicContact CG-CD1 3.73Å; L183-L187 HydrophobicContact CG-CG 4.22Å; L183-L187 VanDerWaalsContact O-CB 3.31Å; L183-L187 WeakPolarHBondContact O-CB 3.26Å; L183-L187 WeakPolarHBondContact O-CG 3.29Å; L183-L187 PolarHBondContact O-N 3.07Å; L183-A429 HydrophobicContact CD1-CB 4.31Å; L183-L465 HydrophobicContact CB-CD2 3.88Å; L183-L465 HydrophobicContact CD1-CD2 4.2Å; L183-P468 HydrophobicContact CB-CB 4.45Å; L183-P468 HydrophobicContact CB-CG 4.35Å; L183-P468 VanDerWaalsContact CD2-C 3.47Å; L183-P468 HydrophobicContact CD2-CB 3.85Å; L183-P468 HydrophobicContact CD2-CG 4.21Å; L183-P468 WeakPolarHBondContact CD2-O 3.23Å; L183-M469 HydrophobicContact CD1-CE 3.43Å; L183-M469 VanDerWaalsContact CD1-CE 3.43Å; L183-M469 HydrophobicContact CD1-CG 3.77Å; L183-M469 HydrophobicContact CD1-SD 3.56Å; L183-M469 VanDerWaalsContact CD1-SD 3.56Å; L183-M469 HydrophobicContact CD2-CG 4.18Å; L183-M469 HydrophobicContact CD2-SD 4.21Å; L183-N472 HydrophobicContact CD2-CB 4.01Å
184V93.3Very high91.6Very high3 Ų321.5 Ų21.52%0.01810%0.104CC..Hα-helixtrans-60.4-43.9179.1165.60000111.7M180 W182 G188 F516 A519 I520 L523M180-V184 HydrophobicContact CG-CG2 4.42Å; M180-V184 WeakPolarHBondContact O-CG2 3.28Å; M180-V184 PolarHBondContact O-N 3.23Å; W182-V184 PolarHBondContact O-N 3.47Å; V184-G188 PolarHBondContact O-N 3.1Å; V184-F516 HydrophobicContact CB-CD1 4.26Å; V184-F516 HydrophobicContact CB-CE1 3.52Å; V184-F516 HydrophobicContact CB-CZ 4.08Å; V184-F516 HydrophobicContact CG1-CE1 3.84Å; V184-F516 HydrophobicContact CG1-CZ 4.01Å; V184-F516 HydrophobicContact CG2-CD1 3.72Å; V184-F516 HydrophobicContact CG2-CE1 3.47Å; V184-F516 VanDerWaalsContact CG2-CE1 3.47Å; V184-F516 HydrophobicContact CG2-CZ 4.44Å; V184-A519 HydrophobicContact CG1-CB 4.04Å; V184-I520 HydrophobicContact CB-CG1 4.17Å; V184-I520 HydrophobicContact CG1-CG1 3.91Å; V184-I520 HydrophobicContact CG2-CD1 4.28Å; V184-I520 HydrophobicContact CG2-CG1 4.07Å; V184-L523 HydrophobicContact CG1-CD1 3.64Å; V184-L523 WeakPolarHBondContact O-CD1 3.41Å
185L91.2Very high92.2Very high65 Ų6520.5 Ų20.534%0.3410%0.095SC..Hα-helixtrans-62.1-46.5176.4-67.1178000112F181 W182 L183 Y189 L523F181-L185 HydrophobicContact CD1-CD1 4.17Å; F181-L185 HydrophobicContact CE1-CD1 3.52Å; F181-L185 HydrophobicContact CE2-CD1 4.47Å; F181-L185 HydrophobicContact CZ-CD1 3.7Å; F181-L185 PolarHBondContact O-N 3Å; W182-L185 PolarHBondContact O-N 3.48Å; L183-L185 PolarHBondContact O-N 3.3Å; L185-Y189 PolarHBondContact O-N 3.33Å; L185-L523 HydrophobicContact CD2-CD1 4Å; L185-L523 HydrophobicContact CD2-CD2 4.35Å
186L92.7Very high92.4Very high3 Ų321.8 Ų21.82%0.01610%0.097CC..Hα-helixtrans-72.1-41.7-175.7-65.9169.5000112.4W182 L183 G190 A429 T432 V433 L436 L461 L465W182-L186 WeakPolarHBondContact O-CB 3.31Å; W182-L186 WeakPolarHBondContact O-CG 3.41Å; W182-L186 PolarHBondContact O-N 2.78Å; L183-L186 PolarHBondContact O-N 2.96Å; L186-G190 PolarHBondContact O-N 3.24Å; L186-A429 HydrophobicContact CB-CB 4.46Å; L186-T432 HydrophobicContact CB-CG2 4.45Å; L186-T432 HydrophobicContact CD2-CG2 3.52Å; L186-T432 PolarHBondContact O-OG1 3.33Å; L186-V433 HydrophobicContact CD1-CG2 3.8Å; L186-V433 HydrophobicContact CD2-CG2 4.18Å; L186-L436 HydrophobicContact CD2-CD1 3.85Å; L186-L461 HydrophobicContact CD1-CD1 4.38Å; L186-L461 HydrophobicContact CD1-CD2 4.31Å; L186-L465 HydrophobicContact CD1-CD1 3.53Å; L186-L465 HydrophobicContact CD1-CD2 3.88Å; L186-L465 HydrophobicContact CD1-CG 4.29Å
187L94.4Very high92.5Very high0 Ų022.4 Ų22.40%010%0.101CC..Hα-helixtrans-67.7-44.7175.5-78.5179000111.5L183 Y189 G190 L191 L425 C428 A429 M469 I520L183-L187 HydrophobicContact CD1-CD1 3.63Å; L183-L187 HydrophobicContact CD1-CG 3.74Å; L183-L187 HydrophobicContact CD2-CD1 4.29Å; L183-L187 HydrophobicContact CG-CD1 3.73Å; L183-L187 HydrophobicContact CG-CG 4.22Å; L183-L187 VanDerWaalsContact O-CB 3.31Å; L183-L187 WeakPolarHBondContact O-CB 3.26Å; L183-L187 WeakPolarHBondContact O-CG 3.29Å; L183-L187 PolarHBondContact O-N 3.07Å; L187-Y189 PolarHBondContact O-N 3.42Å; L187-G190 PolarHBondContact O-N 3.23Å; L187-G190 VanDerWaalsContact O-N 3.13Å; L187-L191 HydrophobicContact CB-CD1 4.39Å; L187-L191 VanDerWaalsContact O-CB 3.28Å; L187-L191 WeakPolarHBondContact O-CB 3.28Å; L187-L191 VanDerWaalsContact O-CG 3.29Å; L187-L191 WeakPolarHBondContact O-CG 3.45Å; L187-L191 PolarHBondContact O-N 3.36Å; L187-L425 HydrophobicContact CD1-CD2 4.03Å; L187-L425 HydrophobicContact CD2-CD2 4.01Å; L187-L425 WeakPolarHBondContact CD2-O 3.23Å; L187-C428 HydrophobicContact CD2-CB 3.96Å; L187-A429 HydrophobicContact CD2-CB 3.98Å; L187-A429 HydrophobicContact CG-CB 4.34Å; L187-M469 HydrophobicContact CD2-CE 4.19Å; L187-I520 HydrophobicContact CB-CD1 4.21Å; L187-I520 HydrophobicContact CD1-CD1 4.08Å
188G92.8Very high92.9Very high0 Ų022.5 Ų22.50%010%0.101CC..Hα-helixtrans-55.2-39.9179.800000113V184 C524V184-G188 PolarHBondContact O-N 3.1Å; G188-C524 PolarHBondContact O-SG 2.7Å
189Y91.7Very high93.2Very high12 Ų1222.8 Ų22.85%0.04710%0.102CC..Hα-helixtrans-75.2-49.9171.8-177.9-94.7000112.6L185 L187 L191 V192 E193 T432 T527 I650 F651L185-Y189 PolarHBondContact O-N 3.33Å; L187-Y189 PolarHBondContact O-N 3.42Å; Y189-L191 PolarHBondContact O-N 3.01Å; Y189-V192 PolarHBondContact O-N 3.43Å; Y189-E193 HydrophobicContact CD1-CB 4.06Å; Y189-E193 HydrophobicContact CE1-CB 3.63Å; Y189-E193 HydrophobicContact CE1-CG 3.76Å; Y189-E193 HydrophobicContact CE2-CB 4.41Å; Y189-E193 PolarHBondContact O-N 3.47Å; Y189-T432 HydrophobicContact CD1-CG2 3.62Å; Y189-T432 HydrophobicContact CE1-CG2 4.37Å; Y189-T432 HydrophobicContact CG-CG2 4.22Å; Y189-T527 HydrophobicContact CD2-CG2 3.69Å; Y189-T527 HydrophobicContact CE2-CG2 4.09Å; Y189-T527 HydrophobicContact CG-CG2 4.45Å; Y189-I650 HydrophobicContact CD2-CG2 4.15Å; Y189-I650 HydrophobicContact CE2-CB 4.43Å; Y189-I650 HydrophobicContact CE2-CG2 3.83Å; Y189-F651 AromaticContact CD1-CD2 3.89Å; Y189-F651 HydrophobicContact CD1-CD2 3.89Å; Y189-F651 AromaticContact CD1-CE2 3.91Å; Y189-F651 HydrophobicContact CD1-CE2 3.91Å; Y189-F651 AromaticContact CD2-CD2 3.82Å; Y189-F651 HydrophobicContact CD2-CD2 3.82Å; Y189-F651 AromaticContact CD2-CE2 3.63Å; Y189-F651 HydrophobicContact CD2-CE2 3.63Å; Y189-F651 AromaticContact CE1-CD2 3.65Å; Y189-F651 HydrophobicContact CE1-CD2 3.65Å; Y189-F651 HydrophobicContact CE1-CE2 4.15Å; Y189-F651 AromaticContact CE2-CD2 3.58Å; Y189-F651 HydrophobicContact CE2-CD2 3.58Å; Y189-F651 AromaticContact CE2-CE2 3.9Å; Y189-F651 HydrophobicContact CE2-CE2 3.9Å; Y189-F651 AromaticContact CG-CD2 3.96Å; Y189-F651 HydrophobicContact CG-CD2 3.96Å; Y189-F651 AromaticContact CG-CE2 3.62Å; Y189-F651 HydrophobicContact CG-CE2 3.62Å; Y189-F651 AromaticContact CZ-CD2 3.48Å; Y189-F651 VanDerWaalsContact CZ-CD2 3.48Å
190G94.2Very high93.2Very high0 Ų023.9 Ų23.90%011%0.108CC..Hα-helixtrans-61.2-41.8-172.200000113.3L186 L187 V192 E193 V194 T432L186-G190 PolarHBondContact O-N 3.24Å; L187-G190 PolarHBondContact O-N 3.23Å; L187-G190 VanDerWaalsContact O-N 3.13Å; G190-V192 PolarHBondContact O-N 2.91Å; G190-V192 VanDerWaalsContact O-N 3.15Å; G190-E193 PolarHBondContact O-N 3.42Å; G190-V194 VanDerWaalsContact O-CB 3.22Å; G190-V194 WeakPolarHBondContact O-CB 3.3Å; G190-V194 WeakPolarHBondContact O-CG2 3.41Å; G190-V194 PolarHBondContact O-N 3.47Å; G190-T432 VanDerWaalsContact CA-OG1 3.26Å; G190-T432 WeakPolarHBondContact CA-OG1 3.29Å; G190-T432 PolarHBondContact N-OG1 2.98Å
191L96.4Very high93.2Very high0 Ų024.7 Ų24.70%012%0.115CC..Hα-helixtrans-58.1-28.7179.6-78.5169.8000113.1L187 Y189 P195 T378 I381 V382 Y424 C428 I520L187-L191 HydrophobicContact CB-CD1 4.39Å; L187-L191 VanDerWaalsContact O-CB 3.28Å; L187-L191 WeakPolarHBondContact O-CB 3.28Å; L187-L191 VanDerWaalsContact O-CG 3.29Å; L187-L191 WeakPolarHBondContact O-CG 3.45Å; L187-L191 PolarHBondContact O-N 3.36Å; Y189-L191 PolarHBondContact O-N 3.01Å; L191-P195 VanDerWaalsContact O-CD 3.32Å; L191-P195 WeakPolarHBondContact O-CD 3.48Å; L191-P195 VanDerWaalsContact O-CG 3.32Å; L191-P195 WeakPolarHBondContact O-CG 3.35Å; L191-T378 HydrophobicContact CB-CG2 4.1Å; L191-T378 WeakPolarHBondContact O-CG2 3.33Å; L191-T378 PolarHBondContact O-OG1 3Å; L191-I381 HydrophobicContact CD1-CG2 4.14Å; L191-I381 HydrophobicContact CD2-CB 4.32Å; L191-I381 HydrophobicContact CD2-CD1 4.26Å; L191-I381 HydrophobicContact CD2-CG2 4.13Å; L191-V382 HydrophobicContact CD1-CG2 4.11Å; L191-Y424 HydrophobicContact CD2-CE1 3.95Å; L191-C428 HydrophobicContact CD2-CB 4.4Å; L191-C428 HydrophobicContact CG-CB 4.45Å; L191-I520 HydrophobicContact CD1-CG2 3.7Å
192V95.1Very high93.1Very high14 Ų1421.4 Ų21.49%0.08510%0.101CC..Hα-helixtrans-95.6-45.1178.6179.90000111.5Y189 G190 P195 R196 C524 T527 Y528Y189-V192 PolarHBondContact O-N 3.43Å; G190-V192 PolarHBondContact O-N 2.91Å; G190-V192 VanDerWaalsContact O-N 3.15Å; V192-P195 WeakPolarHBondContact O-CD 3.33Å; V192-P195 WeakPolarHBondContact O-CG 3.31Å; V192-R196 VanDerWaalsContact O-CB 3.24Å; V192-R196 WeakPolarHBondContact O-CB 3Å; V192-R196 PolarHBondContact O-N 2.94Å; V192-C524 HydrophobicContact CG2-CB 3.79Å; V192-T527 HydrophobicContact CB-CG2 3.99Å; V192-T527 HydrophobicContact CG1-CG2 4.11Å; V192-Y528 HydrophobicContact CG1-CD2 4.27Å
193E90.9Very high93Very high6 Ų620.8 Ų20.83%0.02810%0.103CC..Hα-helixtrans-77-29.3-171.5-167.757.3-142.700112.8Y189 G190 R196 N197 Y431Y189-E193 HydrophobicContact CD1-CB 4.06Å; Y189-E193 HydrophobicContact CE1-CB 3.63Å; Y189-E193 HydrophobicContact CE1-CG 3.76Å; Y189-E193 HydrophobicContact CE2-CB 4.41Å; Y189-E193 PolarHBondContact O-N 3.47Å; G190-E193 PolarHBondContact O-N 3.42Å; E193-R196 WeakPolarHBondContact OE2-CD 3.24Å; E193-R196 IonicContact OE2-NH1 3.13Å; E193-N197 WeakPolarHBondContact O-CB 3.49Å; E193-N197 PolarHBondContact O-N 3.08Å; E193-Y431 HydrophobicContact CB-CE1 4.22Å; E193-Y431 HydrophobicContact CG-CE1 4Å
194V95.1Very high92.5Very high4 Ų424.1 Ų24.12%0.02412%0.12CC..Hα-helixtrans-59.1-62175.3168.10000111.9G190 R196 N197 V198 M374 L427 Y431G190-V194 VanDerWaalsContact O-CB 3.22Å; G190-V194 WeakPolarHBondContact O-CB 3.3Å; G190-V194 WeakPolarHBondContact O-CG2 3.41Å; G190-V194 PolarHBondContact O-N 3.47Å; V194-R196 VanDerWaalsContact C-N 3.28Å; V194-R196 PolarHBondContact O-N 3.48Å; V194-N197 PolarHBondContact O-N 3.09Å; V194-V198 WeakPolarHBondContact O-CG2 3.39Å; V194-V198 PolarHBondContact O-N 3.35Å; V194-V198 VanDerWaalsContact O-N 3.08Å; V194-M374 HydrophobicContact CG1-CE 4.35Å; V194-M374 HydrophobicContact CG1-SD 3.71Å; V194-L427 HydrophobicContact CB-CD2 4.37Å; V194-L427 HydrophobicContact CG1-CD2 3.46Å; V194-L427 VanDerWaalsContact CG1-CD2 3.46Å; V194-L427 HydrophobicContact CG2-CD2 3.99Å; V194-Y431 HydrophobicContact CG2-CD1 3.38Å; V194-Y431 HydrophobicContact CG2-CD2 4.11Å; V194-Y431 HydrophobicContact CG2-CE1 4.05Å; V194-Y431 HydrophobicContact CG2-CG 3.41Å; V194-Y431 VanDerWaalsContact CG2-CG 3.41Å
195P96.6Very high92.1Very high12 Ų1224.5 Ų24.58%0.07813%0.126CC..Hα-helixtrans-62.3-37.7-179.423.4-33.2000111.6L191 V192 V198 W199 M374 C375L191-P195 VanDerWaalsContact O-CD 3.32Å; L191-P195 WeakPolarHBondContact O-CD 3.48Å; L191-P195 VanDerWaalsContact O-CG 3.32Å; L191-P195 WeakPolarHBondContact O-CG 3.35Å; V192-P195 WeakPolarHBondContact O-CD 3.33Å; V192-P195 WeakPolarHBondContact O-CG 3.31Å; P195-V198 PolarHBondContact O-N 3Å; P195-W199 WeakPolarHBondContact O-CB 3.27Å; P195-W199 PolarHBondContact O-N 3.43Å; P195-M374 HydrophobicContact CB-CB 3.93Å; P195-C375 HydrophobicContact CB-CB 4.49Å
196R93Very high91.9Very high42 Ų4221.9 Ų21.916%0.15811%0.111CC..Hα-helixtrans-59.2-50.8175.9179.3-174.9-71.2-178.3-4.8111.5V192 E193 V194 V198 W199 L200 Y528V192-R196 VanDerWaalsContact O-CB 3.24Å; V192-R196 WeakPolarHBondContact O-CB 3Å; V192-R196 PolarHBondContact O-N 2.94Å; E193-R196 WeakPolarHBondContact OE2-CD 3.24Å; E193-R196 IonicContact OE2-NH1 3.13Å; V194-R196 VanDerWaalsContact C-N 3.28Å; V194-R196 PolarHBondContact O-N 3.48Å; R196-V198 VanDerWaalsContact C-N 3.33Å; R196-V198 PolarHBondContact O-N 3.04Å; R196-W199 PolarHBondContact O-N 2.86Å; R196-L200 HydrophobicContact CG-CD1 3.7Å; R196-L200 HydrophobicContact CG-CG 4.25Å; R196-L200 WeakPolarHBondContact O-CB 3.46Å; R196-L200 VanDerWaalsContact O-CG 3.24Å; R196-L200 WeakPolarHBondContact O-CG 3.23Å; R196-L200 PolarHBondContact O-N 3.43Å; R196-Y528 PolarHBondContact NH2-O 2.7Å
197N90.1Very high91.6Very high18 Ų1822.6 Ų22.610%0.09612%0.117CC..Hα-helixtrans-65.9-35.7-177.917869.5000111.8E193 V194 S201 K210 Y431E193-N197 WeakPolarHBondContact O-CB 3.49Å; E193-N197 PolarHBondContact O-N 3.08Å; V194-N197 PolarHBondContact O-N 3.09Å; N197-S201 VanDerWaalsContact O-CB 3.27Å; N197-S201 WeakPolarHBondContact O-CB 3.05Å; N197-S201 PolarHBondContact O-N 3.26Å; N197-S201 PolarHBondContact O-OG 3.43Å; N197-K210 PolarHBondContact OD1-NZ 3.34Å; N197-Y431 WeakPolarHBondContact CB-OH 3.15Å; N197-Y431 PolarHBondContact ND2-OH 3.48Å
198V94.4Very high91.4Very high24 Ų2423.1 Ų23.115%0.14512%0.12CC..Hα-helixtrans-66.7-44.9173.5179.70000110.9V194 P195 R196 S201 S202 L367 I370 A371 M374V194-V198 WeakPolarHBondContact O-CG2 3.39Å; V194-V198 PolarHBondContact O-N 3.35Å; V194-V198 VanDerWaalsContact O-N 3.08Å; P195-V198 PolarHBondContact O-N 3Å; R196-V198 VanDerWaalsContact C-N 3.33Å; R196-V198 PolarHBondContact O-N 3.04Å; V198-S201 PolarHBondContact O-N 3.48Å; V198-S202 PolarHBondContact O-N 2.95Å; V198-L367 HydrophobicContact CG1-CB 4.49Å; V198-L367 HydrophobicContact CG1-CD2 4.13Å; V198-L367 WeakPolarHBondContact CG1-O 3.23Å; V198-I370 HydrophobicContact CG1-CB 4.41Å; V198-I370 HydrophobicContact CG1-CG2 4.18Å; V198-A371 HydrophobicContact CB-CB 4.16Å; V198-A371 HydrophobicContact CG1-CB 3.9Å; V198-M374 HydrophobicContact CB-SD 4.5Å; V198-M374 HydrophobicContact CG2-SD 3.91Å
199W95.5Very high91.2Very high111 Ų11125.4 Ų25.442%0.4213%0.128SC..Hα-helixtrans-61.4-49.4177.2-177.2-92.7000112.1P195 R196 S201 S202 R368 A371 I372P195-W199 WeakPolarHBondContact O-CB 3.27Å; P195-W199 PolarHBondContact O-N 3.43Å; R196-W199 PolarHBondContact O-N 2.86Å; W199-S201 VanDerWaalsContact C-N 3.27Å; W199-S201 PolarHBondContact O-N 2.99Å; W199-S202 WeakPolarHBondContact O-CA 3.25Å; W199-S202 VanDerWaalsContact O-CB 3.23Å; W199-S202 WeakPolarHBondContact O-CB 3.17Å; W199-S202 PolarHBondContact O-N 3.27Å; W199-S202 PolarHBondContact O-OG 3.47Å; W199-R368 HydrophobicContact CE3-CG 4.27Å; W199-R368 HydrophobicContact CH2-CG 4.39Å; W199-R368 HydrophobicContact CZ3-CB 4.1Å; W199-R368 HydrophobicContact CZ3-CG 4Å; W199-A371 HydrophobicContact CB-CB 3.92Å; W199-A371 HydrophobicContact CE3-CB 3.91Å; W199-I372 HydrophobicContact CZ3-CD1 4.24Å; W199-I372 HydrophobicContact CZ3-CG1 3.97Å
200L90.8Very high91Very high23 Ų2325.9 Ų25.912%0.1213%0.13CC..Hα-helixtrans-62.6-36.4178.6-68.8171.1000111.8R196 S202 L203 F206 P647R196-L200 HydrophobicContact CG-CD1 3.7Å; R196-L200 HydrophobicContact CG-CG 4.25Å; R196-L200 WeakPolarHBondContact O-CB 3.46Å; R196-L200 VanDerWaalsContact O-CG 3.24Å; R196-L200 WeakPolarHBondContact O-CG 3.23Å; R196-L200 PolarHBondContact O-N 3.43Å; L200-S202 PolarHBondContact O-N 2.9Å; L200-L203 HydrophobicContact CD2-CD1 3.85Å; L200-L203 WeakPolarHBondContact O-CB 3.45Å; L200-L203 PolarHBondContact O-N 3.2Å; L200-F206 HydrophobicContact CB-CD1 3.98Å; L200-F206 HydrophobicContact CB-CD2 4.46Å; L200-F206 HydrophobicContact CB-CE1 3.58Å; L200-F206 HydrophobicContact CB-CE2 4.06Å; L200-F206 HydrophobicContact CB-CG 4.42Å; L200-F206 HydrophobicContact CB-CZ 3.65Å; L200-F206 HydrophobicContact CD1-CE2 4.33Å; L200-F206 HydrophobicContact CD1-CZ 3.88Å; L200-F206 HydrophobicContact CD2-CD2 4.49Å; L200-F206 HydrophobicContact CD2-CE2 4.02Å; L200-F206 HydrophobicContact CD2-CZ 4.32Å; L200-F206 HydrophobicContact CG-CE2 4.37Å; L200-F206 HydrophobicContact CG-CZ 4.17Å; L200-F206 WeakPolarHBondContact O-CB 3.49Å; L200-F206 WeakPolarHBondContact O-CD1 3.4Å; L200-F206 VanDerWaalsContact O-CG 3.3Å; L200-F206 WeakPolarHBondContact O-CG 3.17Å; L200-P647 HydrophobicContact CD1-CB 4.07Å; L200-P647 HydrophobicContact CD1-CG 3.65Å; L200-P647 HydrophobicContact CD2-CG 4.21Å
201S90.3Very high90.8Very high31 Ų3126 Ų2622%0.21713%0.132CC..Hα-helixtrans-64.3-18.5174.7-61.60000113.2N197 V198 W199 S207N197-S201 VanDerWaalsContact O-CB 3.27Å; N197-S201 WeakPolarHBondContact O-CB 3.05Å; N197-S201 PolarHBondContact O-N 3.26Å; N197-S201 PolarHBondContact O-OG 3.43Å; V198-S201 PolarHBondContact O-N 3.48Å; W199-S201 VanDerWaalsContact C-N 3.27Å; W199-S201 PolarHBondContact O-N 2.99Å; S201-S207 PolarHBondContact O-OG 3.05Å
202S90.7Very high90.6Very high3 Ų326.7 Ų26.72%0.02113%0.134CC..THydrogen-bonded Turntrans-83.4-12.3174.785.70000114.2V198 W199 L200 R368V198-S202 PolarHBondContact O-N 2.95Å; W199-S202 WeakPolarHBondContact O-CA 3.25Å; W199-S202 VanDerWaalsContact O-CB 3.23Å; W199-S202 WeakPolarHBondContact O-CB 3.17Å; W199-S202 PolarHBondContact O-N 3.27Å; W199-S202 PolarHBondContact O-OG 3.47Å; L200-S202 PolarHBondContact O-N 2.9Å; S202-R368 VanDerWaalsContact OG-CG 3.26Å; S202-R368 WeakPolarHBondContact OG-CG 3.26Å
203L89.5Confident90.3Very high62 Ų6226.6 Ų26.633%0.32513%0.133SC..SBendtrans-79.2138.7179.8-60.6178.4000110.7L200 G205 F206L200-L203 HydrophobicContact CD2-CD1 3.85Å; L200-L203 WeakPolarHBondContact O-CB 3.45Å; L200-L203 PolarHBondContact O-N 3.2Å; L203-G205 PolarHBondContact O-N 3.07Å; L203-F206 HydrophobicContact CB-CB 3.88Å; L203-F206 WeakPolarHBondContact O-CB 3.39Å; L203-F206 PolarHBondContact O-N 2.98Å
204D83.4Confident90.2Very high73 Ų7329.7 Ų29.739%0.3914%0.144SC..THydrogen-bonded Turntrans-63131.1-175.6-60.3-31.8000110.7F206D204-F206 PolarHBondContact O-N 3.45Å
205G85.5Confident90.1Very high12 Ų1229.5 Ų29.512%0.12414%0.143CC..THydrogen-bonded Turntrans64.8-8.5-178.300000116.7L203 S207 L208 R209L203-G205 PolarHBondContact O-N 3.07Å; G205-S207 VanDerWaalsContact C-N 3.35Å; G205-S207 PolarHBondContact O-N 3.09Å; G205-L208 PolarHBondContact O-N 3.35Å; G205-R209 PolarHBondContact O-N 3.34Å
206F87.1Confident89.8Confident9 Ų929 Ų294%0.03914%0.14CC..Hα-helixtrans-59.2-48176.7178.9-86.7000111.3L200 L203 D204 L208 R209 K210 P646L200-F206 HydrophobicContact CB-CD1 3.98Å; L200-F206 HydrophobicContact CB-CD2 4.46Å; L200-F206 HydrophobicContact CB-CE1 3.58Å; L200-F206 HydrophobicContact CB-CE2 4.06Å; L200-F206 HydrophobicContact CB-CG 4.42Å; L200-F206 HydrophobicContact CB-CZ 3.65Å; L200-F206 HydrophobicContact CD1-CE2 4.33Å; L200-F206 HydrophobicContact CD1-CZ 3.88Å; L200-F206 HydrophobicContact CD2-CD2 4.49Å; L200-F206 HydrophobicContact CD2-CE2 4.02Å; L200-F206 HydrophobicContact CD2-CZ 4.32Å; L200-F206 HydrophobicContact CG-CE2 4.37Å; L200-F206 HydrophobicContact CG-CZ 4.17Å; L200-F206 WeakPolarHBondContact O-CB 3.49Å; L200-F206 WeakPolarHBondContact O-CD1 3.4Å; L200-F206 VanDerWaalsContact O-CG 3.3Å; L200-F206 WeakPolarHBondContact O-CG 3.17Å; L203-F206 HydrophobicContact CB-CB 3.88Å; L203-F206 WeakPolarHBondContact O-CB 3.39Å; L203-F206 PolarHBondContact O-N 2.98Å; D204-F206 PolarHBondContact O-N 3.45Å; F206-L208 PolarHBondContact O-N 3.14Å; F206-R209 PolarHBondContact O-N 3.12Å; F206-K210 HydrophobicContact CE1-CB 4.29Å; F206-K210 HydrophobicContact CE1-CD 3.8Å; F206-K210 HydrophobicContact CZ-CD 4.36Å; F206-K210 WeakPolarHBondContact O-CB 3.34Å; F206-K210 PolarHBondContact O-N 3.38Å; F206-P646 HydrophobicContact CE2-CB 3.68Å; F206-P646 HydrophobicContact CZ-CB 3.69Å
207S87.2Confident89.6Confident19 Ų1928.8 Ų28.813%0.13314%0.14CC..Hα-helixtrans-56.8-34.3178-93.90000113.2S201 G205 A211 R320S201-S207 PolarHBondContact O-OG 3.05Å; G205-S207 VanDerWaalsContact C-N 3.35Å; G205-S207 PolarHBondContact O-N 3.09Å; S207-A211 PolarHBondContact O-N 3.05Å; S207-R320 VanDerWaalsContact C-NH1 3.31Å; S207-R320 PolarHBondContact O-NH1 3.2Å; S207-R320 PolarHBondContact OG-NH1 3.19Å
208L90.2Very high89.5Confident11 Ų1128.5 Ų28.56%0.05814%0.139CC..Hα-helixtrans-76.6-46.2177.4179.859.9000111G205 F206 K210 A211 Y212 R320 E321 F324G205-L208 PolarHBondContact O-N 3.35Å; F206-L208 PolarHBondContact O-N 3.14Å; L208-K210 VanDerWaalsContact C-N 3.33Å; L208-K210 PolarHBondContact O-N 3.41Å; L208-A211 WeakPolarHBondContact O-CA 3.39Å; L208-A211 WeakPolarHBondContact O-CB 3.38Å; L208-A211 PolarHBondContact O-N 3.42Å; L208-Y212 HydrophobicContact CD1-CE1 4.07Å; L208-Y212 HydrophobicContact CD1-CE2 3.96Å; L208-Y212 HydrophobicContact CD2-CE2 4.07Å; L208-Y212 HydrophobicContact CG-CD2 4.27Å; L208-Y212 HydrophobicContact CG-CE2 3.61Å; L208-Y212 PolarHBondContact O-N 3.22Å; L208-R320 HydrophobicContact CD1-CB 3.86Å; L208-E321 HydrophobicContact CD1-CB 4.36Å; L208-F324 HydrophobicContact CD2-CB 4.43Å; L208-F324 HydrophobicContact CD2-CG 4.47Å
209R87.6Confident89.4Confident47 Ų4728.4 Ų28.418%0.17714%0.139CC..Hα-helixtrans-57.9-43.2175.2-73.2-178.4-74.5-174.2-5112.6G205 F206 A211 Y212 F213 Q644G205-R209 PolarHBondContact O-N 3.34Å; F206-R209 PolarHBondContact O-N 3.12Å; R209-A211 VanDerWaalsContact C-N 3.26Å; R209-A211 PolarHBondContact O-N 3.47Å; R209-Y212 PolarHBondContact O-N 3.2Å; R209-F213 WeakPolarHBondContact O-CB 3.22Å; R209-F213 PolarHBondContact O-N 2.6Å; R209-Q644 PolarHBondContact NH1-O 3.17Å
210K87.2Confident89.2Confident22 Ų2227.1 Ų27.110%0.09614%0.14CC..Hα-helixtrans-61.7-33.4174.6-173.9165.8-177.4162.70112.3N197 F206 L208 R214N197-K210 PolarHBondContact OD1-NZ 3.34Å; F206-K210 HydrophobicContact CE1-CB 4.29Å; F206-K210 HydrophobicContact CE1-CD 3.8Å; F206-K210 HydrophobicContact CZ-CD 4.36Å; F206-K210 WeakPolarHBondContact O-CB 3.34Å; F206-K210 PolarHBondContact O-N 3.38Å; L208-K210 VanDerWaalsContact C-N 3.33Å; L208-K210 PolarHBondContact O-N 3.41Å; K210-R214 WeakPolarHBondContact O-CB 3.43Å; K210-R214 VanDerWaalsContact O-CG 3.27Å; K210-R214 WeakPolarHBondContact O-CG 3.25Å; K210-R214 PolarHBondContact O-N 2.85Å; K210-R214 VanDerWaalsContact O-N 3.15Å
211A89.7Confident89.1Confident4 Ų429.1 Ų29.13%0.03315%0.148CC..Hα-helixtrans-69.9-44.2174.900000111.6S207 L208 R209 R214 L215 L313 A317S207-A211 PolarHBondContact O-N 3.05Å; L208-A211 WeakPolarHBondContact O-CA 3.39Å; L208-A211 WeakPolarHBondContact O-CB 3.38Å; L208-A211 PolarHBondContact O-N 3.42Å; R209-A211 VanDerWaalsContact C-N 3.26Å; R209-A211 PolarHBondContact O-N 3.47Å; A211-R214 PolarHBondContact O-N 2.84Å; A211-L215 WeakPolarHBondContact O-CG 3.22Å; A211-L215 PolarHBondContact O-N 2.9Å; A211-L313 HydrophobicContact CB-CD1 4.43Å; A211-A317 HydrophobicContact CB-CB 4.15Å
212Y92.8Very high89.1Confident13 Ų1329.5 Ų29.55%0.05115%0.146CC..Hα-helixtrans-60.6-48.8174.4-64.2-40000112.1L208 R209 R214 L215 G216 E321 V555 G558 K559 V562L208-Y212 HydrophobicContact CD1-CE1 4.07Å; L208-Y212 HydrophobicContact CD1-CE2 3.96Å; L208-Y212 HydrophobicContact CD2-CE2 4.07Å; L208-Y212 HydrophobicContact CG-CD2 4.27Å; L208-Y212 HydrophobicContact CG-CE2 3.61Å; L208-Y212 PolarHBondContact O-N 3.22Å; R209-Y212 PolarHBondContact O-N 3.2Å; Y212-R214 VanDerWaalsContact C-N 3.3Å; Y212-R214 PolarHBondContact O-N 2.94Å; Y212-L215 WeakPolarHBondContact O-CB 3.31Å; Y212-L215 PolarHBondContact O-N 3.12Å; Y212-L215 VanDerWaalsContact O-N 3.07Å; Y212-G216 PolarHBondContact O-N 3.06Å; Y212-E321 PolarHBondContact OH-OE1 3.37Å; Y212-V555 HydrophobicContact CD2-CG1 4.49Å; Y212-G558 WeakPolarHBondContact O-CA 3.21Å; Y212-K559 HydrophobicContact CD1-CB 4.23Å; Y212-K559 HydrophobicContact CD2-CB 4.14Å; Y212-K559 HydrophobicContact CE1-CB 4.34Å; Y212-K559 HydrophobicContact CE1-CG 4.4Å; Y212-K559 HydrophobicContact CE2-CB 4.25Å; Y212-K559 HydrophobicContact CE2-CD 4.42Å; Y212-K559 HydrophobicContact CE2-CG 4.14Å; Y212-K559 HydrophobicContact CG-CB 4.13Å; Y212-V562 HydrophobicContact CD1-CB 4.45Å; Y212-V562 HydrophobicContact CD1-CG2 3.85Å; Y212-V562 HydrophobicContact CE1-CB 3.98Å; Y212-V562 HydrophobicContact CE1-CG1 4.19Å; Y212-V562 HydrophobicContact CE1-CG2 3.78Å
213F88.7Confident89.2Confident13 Ų1333.6 Ų33.66%0.05717%0.168CC..Hα-helixtrans-51.2-50.6175.3168.4-103.7000111.8R209 L215 G216 K217 E546 T551 F554 V555R209-F213 WeakPolarHBondContact O-CB 3.22Å; R209-F213 PolarHBondContact O-N 2.6Å; F213-L215 VanDerWaalsContact C-N 3.33Å; F213-L215 PolarHBondContact O-N 3.02Å; F213-G216 PolarHBondContact O-N 3.4Å; F213-K217 PolarHBondContact O-N 2.88Å; F213-E546 VanDerWaalsContact CE2-OE1 3.24Å; F213-E546 WeakPolarHBondContact CE2-OE1 3.48Å; F213-E546 WeakPolarHBondContact CE2-OE2 3.4Å; F213-E546 WeakPolarHBondContact CZ-OE1 3.19Å; F213-E546 WeakPolarHBondContact CZ-OE2 3.33Å; F213-T551 HydrophobicContact CD2-CG2 3.7Å; F213-T551 HydrophobicContact CE2-CG2 3.84Å; F213-T551 HydrophobicContact CG-CG2 4.47Å; F213-F554 HydrophobicContact CD2-CB 3.67Å; F213-F554 HydrophobicContact CD2-CD2 4.46Å; F213-F554 HydrophobicContact CD2-CG 4.43Å; F213-F554 HydrophobicContact CE2-CB 4.06Å; F213-F554 AromaticContact CE2-CD2 3.98Å; F213-F554 HydrophobicContact CE2-CD2 3.98Å; F213-F554 HydrophobicContact CE2-CG 4.36Å; F213-V555 HydrophobicContact CB-CG2 3.72Å
214R88.8Confident89.4Confident70 Ų7034.3 Ų34.326%0.26417%0.172SC..Hα-helixtrans-64.4-34.5179-73.7175.5175.3-162.4-9.4113.2K210 A211 Y212 L218 L313 D652K210-R214 WeakPolarHBondContact O-CB 3.43Å; K210-R214 VanDerWaalsContact O-CG 3.27Å; K210-R214 WeakPolarHBondContact O-CG 3.25Å; K210-R214 PolarHBondContact O-N 2.85Å; K210-R214 VanDerWaalsContact O-N 3.15Å; A211-R214 PolarHBondContact O-N 2.84Å; Y212-R214 VanDerWaalsContact C-N 3.3Å; Y212-R214 PolarHBondContact O-N 2.94Å; R214-L218 WeakPolarHBondContact O-CB 3.2Å; R214-L218 PolarHBondContact O-N 3.29Å; R214-L313 HydrophobicContact CB-CD2 3.58Å; R214-D652 IonicContact NH2-OD1 2.67Å
215L92.2Very high89.8Confident0 Ų031.2 Ų31.20%016%0.156CC..Hα-helixtrans-66.8-41.5174-78.8168.7000111.5A211 Y212 F213 K217 L218 S219 W310 L313 M314 A317 V562A211-L215 WeakPolarHBondContact O-CG 3.22Å; A211-L215 PolarHBondContact O-N 2.9Å; Y212-L215 WeakPolarHBondContact O-CB 3.31Å; Y212-L215 PolarHBondContact O-N 3.12Å; Y212-L215 VanDerWaalsContact O-N 3.07Å; F213-L215 VanDerWaalsContact C-N 3.33Å; F213-L215 PolarHBondContact O-N 3.02Å; L215-K217 PolarHBondContact O-N 2.96Å; L215-L218 PolarHBondContact O-N 3.24Å; L215-S219 WeakPolarHBondContact O-CB 3.42Å; L215-S219 PolarHBondContact O-N 2.92Å; L215-W310 HydrophobicContact CD2-CD2 4.48Å; L215-W310 HydrophobicContact CD2-CE3 4.18Å; L215-W310 HydrophobicContact CD2-CZ3 4.32Å; L215-L313 HydrophobicContact CB-CD2 4.44Å; L215-L313 HydrophobicContact CD2-CB 4.04Å; L215-L313 HydrophobicContact CD2-CD2 3.73Å; L215-L313 HydrophobicContact CD2-CG 3.76Å; L215-L313 HydrophobicContact CG-CD2 3.68Å; L215-L313 HydrophobicContact CG-CG 3.76Å; L215-M314 HydrophobicContact CD1-CE 4.4Å; L215-M314 HydrophobicContact CD1-SD 4.43Å; L215-M314 HydrophobicContact CD2-CB 4.45Å; L215-M314 HydrophobicContact CD2-CE 4.31Å; L215-A317 HydrophobicContact CD1-CB 3.69Å; L215-V562 HydrophobicContact CD1-CG2 3.32Å
216G91.4Very high90.1Very high1 Ų133 Ų331%0.0116%0.161CC..Hα-helixtrans-57.6-48.3173.900000111.7Y212 F213 S219Y212-G216 PolarHBondContact O-N 3.06Å; F213-G216 PolarHBondContact O-N 3.4Å; G216-S219 WeakPolarHBondContact O-CB 3.25Å; G216-S219 PolarHBondContact O-N 3.28Å
217K87.6Confident90.4Very high38 Ų3836.8 Ų36.817%0.16518%0.179CC..Hα-helixtrans-64.9-48.5177.2-173.6169.5-172.1163.10112.9F213 L215 S219 I220 E221 D652 D653F213-K217 PolarHBondContact O-N 2.88Å; L215-K217 PolarHBondContact O-N 2.96Å; K217-S219 PolarHBondContact O-N 2.88Å; K217-I220 PolarHBondContact O-N 2.89Å; K217-E221 PolarHBondContact O-N 3.36Å; K217-D652 PolarHBondContact NZ-O 2.85Å; K217-D653 IonicContact NZ-OD1 2.76Å; K217-D653 PolarHBondContact NZ-OD1 2.83Å
218L89Confident90.7Very high13 Ų1337.3 Ų37.37%0.06818%0.184CC..Hα-helixtrans-63.4-26.4179.7-17661.3000112.3R214 L215 I220 E221 K222 Q309 W310 L313R214-L218 WeakPolarHBondContact O-CB 3.2Å; R214-L218 PolarHBondContact O-N 3.29Å; L215-L218 PolarHBondContact O-N 3.24Å; L218-I220 VanDerWaalsContact C-N 3.27Å; L218-I220 PolarHBondContact O-N 3.26Å; L218-E221 HydrophobicContact CD1-CB 4.39Å; L218-E221 PolarHBondContact O-N 2.97Å; L218-K222 WeakPolarHBondContact O-CB 3.48Å; L218-K222 PolarHBondContact O-N 3.36Å; L218-Q309 HydrophobicContact CD1-CB 4.32Å; L218-Q309 HydrophobicContact CD2-CB 3.83Å; L218-W310 HydrophobicContact CD2-CB 4.18Å; L218-W310 HydrophobicContact CG-CE3 4.44Å; L218-L313 HydrophobicContact CD2-CD2 4.2Å
219S92.6Very high90.8Very high21 Ų2136.8 Ų36.815%0.14718%0.182CC..Hα-helixtrans-59.3-39.1173.1-169.90000112L215 G216 K217 N223L215-S219 WeakPolarHBondContact O-CB 3.42Å; L215-S219 PolarHBondContact O-N 2.92Å; G216-S219 WeakPolarHBondContact O-CB 3.25Å; G216-S219 PolarHBondContact O-N 3.28Å; K217-S219 PolarHBondContact O-N 2.88Å; S219-N223 WeakPolarHBondContact O-CB 3.05Å; S219-N223 PolarHBondContact O-N 3.49Å; S219-N223 VanDerWaalsContact O-N 3.11Å; S219-N223 PolarHBondContact O-ND2 2.81Å; S219-N223 PolarHBondContact O-OD1 3.28Å
220I90.6Very high90.9Very high85 Ų8536 Ų3644%0.43618%0.179SC..Hα-helixtrans-69.8-50.7178.4-60.3-177.8000109.5K217 L218 K222 N223 D224 F554K217-I220 PolarHBondContact O-N 2.89Å; L218-I220 VanDerWaalsContact C-N 3.27Å; L218-I220 PolarHBondContact O-N 3.26Å; I220-K222 VanDerWaalsContact C-N 3.26Å; I220-K222 PolarHBondContact O-N 3.29Å; I220-N223 PolarHBondContact O-N 3.33Å; I220-N223 VanDerWaalsContact O-N 3.1Å; I220-D224 PolarHBondContact O-N 3.5Å; I220-F554 HydrophobicContact CD1-CE1 3.55Å; I220-F554 HydrophobicContact CD1-CZ 3.87Å; I220-F554 HydrophobicContact CG1-CE1 4.42Å
221E88.2Confident91.1Very high64 Ų6439.3 Ų39.330%0.29920%0.195SC..Hα-helixtrans-57.2-40.1178.8-65.3178.3-16800112K217 L218 D224 A225 K437K217-E221 PolarHBondContact O-N 3.36Å; L218-E221 HydrophobicContact CD1-CB 4.39Å; L218-E221 PolarHBondContact O-N 2.97Å; E221-D224 PolarHBondContact O-N 3.43Å; E221-A225 WeakPolarHBondContact O-CB 2.85Å; E221-A225 PolarHBondContact O-N 3.08Å; E221-K437 IonicContact OE1-NZ 2.67Å
222K91.5Very high91.2Very high39 Ų3939.1 Ų39.117%0.1719%0.194CC..Hα-helixtrans-65.2-43.3176.8-179.1-178.8173.8-176.40112L218 I220 A225 E226 W310L218-K222 WeakPolarHBondContact O-CB 3.48Å; L218-K222 PolarHBondContact O-N 3.36Å; I220-K222 VanDerWaalsContact C-N 3.26Å; I220-K222 PolarHBondContact O-N 3.29Å; K222-A225 PolarHBondContact O-N 2.8Å; K222-E226 WeakPolarHBondContact O-CB 3.18Å; K222-E226 PolarHBondContact O-N 3.35Å; K222-W310 HydrophobicContact CD-CB 4.14Å; K222-W310 HydrophobicContact CD-CD2 3.98Å; K222-W310 HydrophobicContact CD-CE3 4.01Å; K222-W310 HydrophobicContact CD-CG 4.04Å
223N93.2Very high91.2Very high89 Ų8939.8 Ų39.848%0.47620%0.197SC..Hα-helixtrans-64.9-42.1177.4-71.6-14.2000111.3S219 I220 A225 E226 E227S219-N223 WeakPolarHBondContact O-CB 3.05Å; S219-N223 PolarHBondContact O-N 3.49Å; S219-N223 VanDerWaalsContact O-N 3.11Å; S219-N223 PolarHBondContact O-ND2 2.81Å; S219-N223 PolarHBondContact O-OD1 3.28Å; I220-N223 PolarHBondContact O-N 3.33Å; I220-N223 VanDerWaalsContact O-N 3.1Å; N223-A225 PolarHBondContact O-N 2.51Å; N223-E226 WeakPolarHBondContact O-CB 3.29Å; N223-E226 PolarHBondContact O-N 2.89Å; N223-E227 PolarHBondContact O-N 3.12Å
224D92.6Very high91.2Very high78 Ų7842.7 Ų42.742%0.41721%0.207SC..Hα-helixtrans-62.7-41.9175.3-72.1-7.7000111.8I220 E221 E226 E227 A228 R440I220-D224 PolarHBondContact O-N 3.5Å; E221-D224 PolarHBondContact O-N 3.43Å; D224-E226 VanDerWaalsContact C-N 3.34Å; D224-E227 PolarHBondContact O-N 3.41Å; D224-A228 WeakPolarHBondContact O-CB 3.06Å; D224-A228 PolarHBondContact O-N 3.4Å; D224-R440 IonicContact OD2-NH2 3.18Å
225A92Very high91.3Very high7 Ų740.9 Ų40.96%0.05820%0.203CC..Hα-helixtrans-66.4-37.7177.100000111.8E221 K222 N223 A228 V229E221-A225 WeakPolarHBondContact O-CB 2.85Å; E221-A225 PolarHBondContact O-N 3.08Å; K222-A225 PolarHBondContact O-N 2.8Å; N223-A225 PolarHBondContact O-N 2.51Å; A225-A228 PolarHBondContact O-N 3.21Å; A225-V229 WeakPolarHBondContact O-CG2 3.45Å; A225-V229 PolarHBondContact O-N 2.9Å; A225-V229 VanDerWaalsContact O-N 3.1Å
226E92.9Very high91.2Very high50 Ų5040.9 Ų40.923%0.23420%0.203CC..Hα-helixtrans-61.8-47.2173.1155.1160.4179.100111.8K222 N223 D224 A228 V229 K230 L268 Y303K222-E226 WeakPolarHBondContact O-CB 3.18Å; K222-E226 PolarHBondContact O-N 3.35Å; N223-E226 WeakPolarHBondContact O-CB 3.29Å; N223-E226 PolarHBondContact O-N 2.89Å; D224-E226 VanDerWaalsContact C-N 3.34Å; E226-A228 VanDerWaalsContact C-N 3.34Å; E226-A228 PolarHBondContact O-N 2.93Å; E226-V229 PolarHBondContact O-N 3.02Å; E226-K230 HydrophobicContact CG-CD 4.44Å; E226-K230 WeakPolarHBondContact O-CG 3.49Å; E226-K230 PolarHBondContact O-N 3.32Å; E226-K230 VanDerWaalsContact OE1-CE 3.29Å; E226-K230 WeakPolarHBondContact OE1-CE 3.35Å; E226-K230 IonicContact OE1-NZ 2.87Å; E226-K230 PolarHBondContact OE1-NZ 2.83Å; E226-L268 HydrophobicContact CB-CD2 4.11Å; E226-L268 HydrophobicContact CG-CD2 3.44Å; E226-L268 VanDerWaalsContact CG-CD2 3.44Å; E226-L268 WeakPolarHBondContact OE1-CD2 3.26Å; E226-Y303 HydrophobicContact CB-CD2 4.06Å; E226-Y303 HydrophobicContact CB-CE2 4.06Å
227E92.2Very high91.1Very high89 Ų8942.1 Ų42.142%0.41621%0.21SC..Hα-helixtrans-65.3-38.6178.1-166.359-152.500111.7N223 D224 V229 K230 E231 R234N223-E227 PolarHBondContact O-N 3.12Å; D224-E227 PolarHBondContact O-N 3.41Å; E227-V229 VanDerWaalsContact C-N 3.28Å; E227-V229 PolarHBondContact O-N 2.77Å; E227-K230 WeakPolarHBondContact O-CB 3.48Å; E227-K230 PolarHBondContact O-N 3.32Å; E227-K230 VanDerWaalsContact O-N 3.12Å; E227-K230 WeakPolarHBondContact OE2-CD 3.5Å; E227-K230 IonicContact OE2-NZ 2.83Å; E227-E231 PolarHBondContact O-N 2.64Å; E227-R234 IonicContact OE1-NH1 3.45Å; E227-R234 PolarHBondContact OE1-NH1 3.19Å
228A93.2Very high91.2Very high29 Ų2940.4 Ų40.424%0.2420%0.203CC..Hα-helixtrans-62.6-32.5175.100000113.1D224 A225 E226 A232D224-A228 WeakPolarHBondContact O-CB 3.06Å; D224-A228 PolarHBondContact O-N 3.4Å; A225-A228 PolarHBondContact O-N 3.21Å; E226-A228 VanDerWaalsContact C-N 3.34Å; E226-A228 PolarHBondContact O-N 2.93Å; A228-A232 VanDerWaalsContact O-CB 3.31Å; A228-A232 WeakPolarHBondContact O-CB 3.33Å; A228-A232 PolarHBondContact O-N 3.33Å
229V92.2Very high91.3Very high0 Ų039.8 Ų39.80%020%0.2CC..Hα-helixtrans-71.3-41172.81700000111.1A225 E226 E227 A232 Y233 F260 I264 L268 M269 S299 Y303A225-V229 WeakPolarHBondContact O-CG2 3.45Å; A225-V229 PolarHBondContact O-N 2.9Å; A225-V229 VanDerWaalsContact O-N 3.1Å; E226-V229 PolarHBondContact O-N 3.02Å; E227-V229 VanDerWaalsContact C-N 3.28Å; E227-V229 PolarHBondContact O-N 2.77Å; V229-A232 PolarHBondContact O-N 2.99Å; V229-Y233 WeakPolarHBondContact O-CB 3.37Å; V229-Y233 PolarHBondContact O-N 3.22Å; V229-F260 HydrophobicContact CG1-CE1 4.44Å; V229-I264 HydrophobicContact CG1-CG2 4.24Å; V229-L268 HydrophobicContact CG1-CD1 4.38Å; V229-M269 HydrophobicContact CG1-CE 4.37Å; V229-S299 VanDerWaalsContact CG2-C 3.45Å; V229-S299 WeakPolarHBondContact CG2-O 3.49Å; V229-Y303 HydrophobicContact CG2-CG 4.12Å
230K91.2Very high91.2Very high30 Ų3041.2 Ų41.213%0.1320%0.204CC..Hα-helixtrans-59.6-48.5175.2-70171.7-173.6161.10111.5E226 E227 Y233 R234 L268 M269E226-K230 HydrophobicContact CG-CD 4.44Å; E226-K230 WeakPolarHBondContact O-CG 3.49Å; E226-K230 PolarHBondContact O-N 3.32Å; E226-K230 VanDerWaalsContact OE1-CE 3.29Å; E226-K230 WeakPolarHBondContact OE1-CE 3.35Å; E226-K230 IonicContact OE1-NZ 2.87Å; E226-K230 PolarHBondContact OE1-NZ 2.83Å; E227-K230 WeakPolarHBondContact O-CB 3.48Å; E227-K230 PolarHBondContact O-N 3.32Å; E227-K230 VanDerWaalsContact O-N 3.12Å; E227-K230 WeakPolarHBondContact OE2-CD 3.5Å; E227-K230 IonicContact OE2-NZ 2.83Å; K230-Y233 PolarHBondContact O-N 3.04Å; K230-R234 WeakPolarHBondContact O-CG 3.43Å; K230-R234 PolarHBondContact O-N 3.22Å; K230-L268 VanDerWaalsContact CE-O 3.29Å; K230-L268 WeakPolarHBondContact CE-O 3.39Å; K230-M269 HydrophobicContact CB-CE 4.26Å; K230-M269 HydrophobicContact CB-SD 4.4Å; K230-M269 HydrophobicContact CG-CE 3.8Å; K230-M269 HydrophobicContact CG-SD 4.03Å
231E91Very high91.1Very high92 Ų9239.8 Ų39.843%0.4321%0.205SC..Hα-helixtrans-58.7-50.6175.7-169.9-165.5144.800111.4E227 Y233 R234 D235 R295E227-E231 PolarHBondContact O-N 2.64Å; E231-Y233 VanDerWaalsContact C-N 3.28Å; E231-Y233 PolarHBondContact O-N 2.85Å; E231-R234 PolarHBondContact O-N 2.89Å; E231-D235 WeakPolarHBondContact O-CB 3.4Å; E231-D235 PolarHBondContact O-N 3.42Å; E231-R295 IonicContact OE1-NH1 3.47Å; E231-R295 PolarHBondContact OE1-NH1 3.31Å
232A92.2Very high91.2Very high1 Ų138.3 Ų38.31%0.00820%0.203CC..Hα-helixtrans-61.7-35.9-179.800000112.9A228 V229 T236 F260 S299A228-A232 VanDerWaalsContact O-CB 3.31Å; A228-A232 WeakPolarHBondContact O-CB 3.33Å; A228-A232 PolarHBondContact O-N 3.33Å; V229-A232 PolarHBondContact O-N 2.99Å; A232-T236 WeakPolarHBondContact O-CB 3.11Å; A232-T236 PolarHBondContact O-N 3.24Å; A232-T236 PolarHBondContact O-OG1 3.34Å; A232-F260 HydrophobicContact CB-CE1 4.46Å; A232-F260 HydrophobicContact CB-CZ 4.19Å; A232-S299 WeakPolarHBondContact CB-OG 3.07Å
233Y91.8Very high91.1Very high27 Ų2736.5 Ų36.511%0.10620%0.196CC..Hα-helixtrans-68.7-49175.4-175.7-102.2000111.4V229 K230 E231 D235 T236 T237 L257 F260 V265 M269 F274V229-Y233 WeakPolarHBondContact O-CB 3.37Å; V229-Y233 PolarHBondContact O-N 3.22Å; K230-Y233 PolarHBondContact O-N 3.04Å; E231-Y233 VanDerWaalsContact C-N 3.28Å; E231-Y233 PolarHBondContact O-N 2.85Å; Y233-D235 VanDerWaalsContact C-N 3.32Å; Y233-D235 PolarHBondContact O-N 3.04Å; Y233-T236 WeakPolarHBondContact O-CB 3.47Å; Y233-T236 PolarHBondContact O-N 2.96Å; Y233-T236 VanDerWaalsContact O-N 3.07Å; Y233-T237 HydrophobicContact CD1-CG2 4.08Å; Y233-T237 HydrophobicContact CE1-CG2 3.65Å; Y233-T237 HydrophobicContact CE2-CG2 4.18Å; Y233-T237 WeakPolarHBondContact O-CG2 3.45Å; Y233-T237 PolarHBondContact O-N 3.17Å; Y233-T237 PolarHBondContact O-OG1 2.82Å; Y233-L257 HydrophobicContact CD2-CD1 4.41Å; Y233-L257 HydrophobicContact CE2-CD1 3.79Å; Y233-F260 HydrophobicContact CD2-CB 4.02Å; Y233-F260 AromaticContact CD2-CD1 3.87Å; Y233-F260 HydrophobicContact CD2-CD1 3.87Å; Y233-F260 AromaticContact CD2-CD2 3.94Å; Y233-F260 HydrophobicContact CD2-CD2 3.94Å; Y233-F260 HydrophobicContact CD2-CE1 4.26Å; Y233-F260 HydrophobicContact CD2-CE2 4.33Å; Y233-F260 AromaticContact CD2-CG 3.67Å; Y233-F260 HydrophobicContact CD2-CG 3.67Å; Y233-F260 HydrophobicContact CD2-CZ 4.47Å; Y233-F260 HydrophobicContact CE2-CB 4.21Å; Y233-F260 HydrophobicContact CE2-CG 4.31Å; Y233-V265 HydrophobicContact CD2-CG2 4.14Å; Y233-V265 HydrophobicContact CE1-CG1 4.16Å; Y233-V265 HydrophobicContact CE2-CG1 4.2Å; Y233-V265 HydrophobicContact CE2-CG2 3.66Å; Y233-M269 HydrophobicContact CD1-CE 4.1Å; Y233-M269 HydrophobicContact CD1-CG 3.93Å; Y233-M269 HydrophobicContact CD1-SD 3.64Å; Y233-M269 HydrophobicContact CE1-CG 4.08Å; Y233-M269 HydrophobicContact CE1-SD 4.36Å; Y233-M269 HydrophobicContact CG-CE 4.04Å; Y233-M269 HydrophobicContact CG-SD 4.2Å; Y233-F274 HydrophobicContact CE1-CE1 4.06Å
234R88.5Confident90.7Very high73 Ų7339.9 Ų39.928%0.27520%0.202SC..Hα-helixtrans-53.3-49.8176-73.8178-171.21410.3110.8E227 K230 E231 T236 T237 A238 D273E227-R234 IonicContact OE1-NH1 3.45Å; E227-R234 PolarHBondContact OE1-NH1 3.19Å; K230-R234 WeakPolarHBondContact O-CG 3.43Å; K230-R234 PolarHBondContact O-N 3.22Å; E231-R234 PolarHBondContact O-N 2.89Å; R234-T236 VanDerWaalsContact C-N 3.32Å; R234-T236 PolarHBondContact O-N 3.05Å; R234-T237 WeakPolarHBondContact CA-OG1 3.36Å; R234-T237 PolarHBondContact O-N 3.43Å; R234-T237 VanDerWaalsContact O-N 3.13Å; R234-T237 PolarHBondContact O-OG1 2.97Å; R234-A238 WeakPolarHBondContact O-CB 3.15Å; R234-A238 PolarHBondContact O-N 3.1Å; R234-D273 IonicContact CZ-OD1 3.51Å; R234-D273 IonicContact NE-OD1 3.53Å; R234-D273 IonicContact NH2-OD1 2.98Å; R234-D273 PolarHBondContact NH2-OD1 3.28Å
235D90.4Very high90.5Very high33 Ų3342.8 Ų42.818%0.17622%0.217CC..Hα-helixtrans-62.4-38178.4-73.1-4.7000112.7E231 Y233 A238 A239 Y281 L292 R295E231-D235 WeakPolarHBondContact O-CB 3.4Å; E231-D235 PolarHBondContact O-N 3.42Å; Y233-D235 VanDerWaalsContact C-N 3.32Å; Y233-D235 PolarHBondContact O-N 3.04Å; D235-A238 PolarHBondContact O-N 3.31Å; D235-A239 WeakPolarHBondContact O-CB 3.31Å; D235-A239 PolarHBondContact O-N 2.83Å; D235-Y281 HydrophobicContact CB-CE2 4.19Å; D235-Y281 WeakPolarHBondContact CB-OH 3.48Å; D235-Y281 VanDerWaalsContact CG-OH 3.22Å; D235-Y281 PolarHBondContact OD2-OH 3.44Å; D235-L292 HydrophobicContact CB-CD1 3.81Å; D235-R295 IonicContact OD2-CZ 3.18Å; D235-R295 IonicContact OD2-NH1 3.3Å; D235-R295 PolarHBondContact OD2-NH1 3.41Å; D235-R295 IonicContact OD2-NH2 2.6Å; D235-R295 PolarHBondContact OD2-NH2 2.83Å
236T91.1Very high90.3Very high0 Ų044.2 Ų44.20%023%0.226CC..Hα-helixtrans-66.7-40175.6-56.80000111.4A232 Y233 R234 H240 I256 L257 F260 S296A232-T236 WeakPolarHBondContact O-CB 3.11Å; A232-T236 PolarHBondContact O-N 3.24Å; A232-T236 PolarHBondContact O-OG1 3.34Å; Y233-T236 WeakPolarHBondContact O-CB 3.47Å; Y233-T236 PolarHBondContact O-N 2.96Å; Y233-T236 VanDerWaalsContact O-N 3.07Å; R234-T236 VanDerWaalsContact C-N 3.32Å; R234-T236 PolarHBondContact O-N 3.05Å; T236-H240 WeakPolarHBondContact O-CB 3.43Å; T236-H240 PolarHBondContact O-N 3.4Å; T236-I256 HydrophobicContact CG2-CB 3.95Å; T236-I256 HydrophobicContact CG2-CG2 3.6Å; T236-L257 HydrophobicContact CG2-CB 3.97Å; T236-L257 HydrophobicContact CG2-CD1 4.01Å; T236-F260 HydrophobicContact CG2-CE2 4.11Å; T236-S296 PolarHBondContact OG1-OG 3.3Å
237T89.6Confident90Very high26 Ų2647.5 Ų47.516%0.1625%0.252CS..Hα-helixtrans-69.8-37.517660.10000112.4Y233 R234 H240 A241 L257Y233-T237 HydrophobicContact CD1-CG2 4.08Å; Y233-T237 HydrophobicContact CE1-CG2 3.65Å; Y233-T237 HydrophobicContact CE2-CG2 4.18Å; Y233-T237 WeakPolarHBondContact O-CG2 3.45Å; Y233-T237 PolarHBondContact O-N 3.17Å; Y233-T237 PolarHBondContact O-OG1 2.82Å; R234-T237 WeakPolarHBondContact CA-OG1 3.36Å; R234-T237 PolarHBondContact O-N 3.43Å; R234-T237 VanDerWaalsContact O-N 3.13Å; R234-T237 PolarHBondContact O-OG1 2.97Å; T237-H240 WeakPolarHBondContact O-CB 3.43Å; T237-H240 PolarHBondContact O-N 3.2Å; T237-A241 PolarHBondContact O-N 3.08Å; T237-L257 HydrophobicContact CG2-CD1 4.16Å
238A89.4Confident89.8Confident2 Ų250.5 Ų50.52%0.01727%0.266CS..Hα-helixtrans-59.3-50.3172.600000111.1R234 D235 H240 A241 A242 V276 Y281R234-A238 WeakPolarHBondContact O-CB 3.15Å; R234-A238 PolarHBondContact O-N 3.1Å; D235-A238 PolarHBondContact O-N 3.31Å; A238-H240 VanDerWaalsContact C-N 3.26Å; A238-H240 PolarHBondContact O-N 3.3Å; A238-A241 PolarHBondContact O-N 2.9Å; A238-A242 WeakPolarHBondContact O-CB 3.3Å; A238-A242 PolarHBondContact O-N 2.98Å; A238-V276 HydrophobicContact CB-CB 4.46Å; A238-V276 HydrophobicContact CB-CG1 3.46Å; A238-V276 VanDerWaalsContact CB-CG1 3.46Å; A238-Y281 HydrophobicContact CB-CD2 3.63Å; A238-Y281 HydrophobicContact CB-CE2 3.95Å
239A90.9Very high89.7Confident0 Ų052.6 Ų52.60%027%0.268CS..Hα-helixtrans-61.2-36.8175.800000111.7D235 A242 L243 V253 Y281 L292D235-A239 WeakPolarHBondContact O-CB 3.31Å; D235-A239 PolarHBondContact O-N 2.83Å; A239-A242 PolarHBondContact O-N 2.99Å; A239-L243 VanDerWaalsContact O-CB 3.29Å; A239-L243 WeakPolarHBondContact O-CB 3.45Å; A239-L243 PolarHBondContact O-N 3.42Å; A239-V253 HydrophobicContact CB-CG1 4.07Å; A239-V253 HydrophobicContact CB-CG2 4.32Å; A239-Y281 HydrophobicContact CB-CD1 3.91Å; A239-Y281 HydrophobicContact CB-CD2 4.47Å; A239-Y281 HydrophobicContact CB-CG 3.87Å; A239-L292 HydrophobicContact CB-CD2 3.96Å
240H90.5Very high89.6Confident52 Ų5252.7 Ų52.724%0.24127%0.269CS..Hα-helixtrans-66.6-45.9177.5-172.562.8000111.2T236 T237 A238 A242 L243 R244 V253T236-H240 WeakPolarHBondContact O-CB 3.43Å; T236-H240 PolarHBondContact O-N 3.4Å; T237-H240 WeakPolarHBondContact O-CB 3.43Å; T237-H240 PolarHBondContact O-N 3.2Å; A238-H240 VanDerWaalsContact C-N 3.26Å; A238-H240 PolarHBondContact O-N 3.3Å; H240-A242 VanDerWaalsContact C-N 3.31Å; H240-A242 PolarHBondContact O-N 3.21Å; H240-L243 PolarHBondContact O-N 3.35Å; H240-R244 WeakPolarHBondContact O-CA 3.27Å; H240-R244 WeakPolarHBondContact O-CB 3.47Å; H240-R244 PolarHBondContact O-N 3.3Å; H240-V253 HydrophobicContact CB-CG1 3.8Å
241A88.6Confident89.6Confident54 Ų5454.8 Ų54.845%0.44629%0.286SS..Hα-helixtrans-59.7-42.117700000111.9T237 A238T237-A241 PolarHBondContact O-N 3.08Å; A238-A241 PolarHBondContact O-N 2.9Å
242A89.5Confident89.6Confident33 Ų3352.1 Ų52.127%0.27327%0.274SS..Hα-helixtrans-72.2-39.6-17900000113.7A238 A239 H240 G278A238-A242 WeakPolarHBondContact O-CB 3.3Å; A238-A242 PolarHBondContact O-N 2.98Å; A239-A242 PolarHBondContact O-N 2.99Å; H240-A242 VanDerWaalsContact C-N 3.31Å; H240-A242 PolarHBondContact O-N 3.21Å; A242-G278 VanDerWaalsContact CB-O 3.23Å; A242-G278 WeakPolarHBondContact CB-O 3.3Å
243L89.9Confident89.6Confident2 Ų252.1 Ų52.11%0.0127%0.274CS..Hα-helixtrans-110.63.7-167.7-58.9172.3000114.1A239 H240 N245 C246 R249 G250 V253 A284 L289A239-L243 VanDerWaalsContact O-CB 3.29Å; A239-L243 WeakPolarHBondContact O-CB 3.45Å; A239-L243 PolarHBondContact O-N 3.42Å; H240-L243 PolarHBondContact O-N 3.35Å; L243-N245 PolarHBondContact O-N 3.34Å; L243-N245 VanDerWaalsContact O-N 3.09Å; L243-C246 WeakPolarHBondContact O-CB 3.46Å; L243-C246 PolarHBondContact O-N 2.93Å; L243-R249 HydrophobicContact CD1-CB 4.37Å; L243-G250 VanDerWaalsContact O-CA 3.27Å; L243-G250 WeakPolarHBondContact O-CA 3.24Å; L243-V253 HydrophobicContact CB-CG2 4.36Å; L243-V253 HydrophobicContact CD1-CG2 3.99Å; L243-A284 HydrophobicContact CD1-CB 4.4Å; L243-L289 HydrophobicContact CD1-CD1 4.25Å; L243-L289 HydrophobicContact CD1-CD2 4.04Å
244R85.9Confident89.6Confident160 Ų16056.1 Ų56.160%0.60429%0.292SS*.THydrogen-bonded Turntrans-53.7-33.3-177.859.1178.2-173.7-175.80.7114.3H240H240-R244 WeakPolarHBondContact O-CA 3.27Å; H240-R244 WeakPolarHBondContact O-CB 3.47Å; H240-R244 PolarHBondContact O-N 3.3Å
245N87.3Confident89.7Confident139 Ų13955.4 Ų55.474%0.74330%0.295SS*.THydrogen-bonded Turntrans-92.8-4.5-178.1-66.4-17.6000112.8L243L243-N245 PolarHBondContact O-N 3.34Å; L243-N245 VanDerWaalsContact O-N 3.09Å
246C87.9Confident89.8Confident36 Ų3653.8 Ų53.824%0.24329%0.287CS..  trans-81.1122178.7-63.80000110.1L243 E248 R249 G250L243-C246 WeakPolarHBondContact O-CB 3.46Å; L243-C246 PolarHBondContact O-N 2.93Å; C246-E248 PolarHBondContact O-N 2.78Å; C246-R249 HydrophobicContact CB-CB 4.27Å; C246-G250 WeakPolarHBondContact O-CA 3.46Å; C246-G250 PolarHBondContact O-N 3.46Å
247P86.9Confident89.8Confident119 Ų11956 Ų5677%0.77330%0.299SS*.THydrogen-bonded Turntrans-65.4-39.3-17323.1-32.7000113.4P251P247-P251 WeakPolarHBondContact O-CD 3.32Å; P247-P251 WeakPolarHBondContact O-CG 3.33Å
248E88.2Confident89.9Confident152 Ų15262.2 Ų62.271%0.7133%0.326SS*.THydrogen-bonded Turntrans-81.3-39.1-177.8-62.6-178.1167.500113.1C246C246-E248 PolarHBondContact O-N 2.78Å
249R90.1Very high89.9Confident73 Ų7367 Ų6728%0.27535%0.346SS..THydrogen-bonded Turntrans-98.1-30.7-169.6-73.4177.4-91.3157.90.2113.5L243 C246 L252 V253 A284 L289L243-R249 HydrophobicContact CD1-CB 4.37Å; C246-R249 HydrophobicContact CB-CB 4.27Å; R249-L252 WeakPolarHBondContact O-CB 3.38Å; R249-L252 PolarHBondContact O-N 3.07Å; R249-L252 VanDerWaalsContact O-N 3.09Å; R249-V253 PolarHBondContact O-N 2.66Å; R249-V253 VanDerWaalsContact O-N 3.15Å; R249-A284 WeakPolarHBondContact CD-O 3.12Å; R249-A284 PolarHBondContact NH1-O 3.16Å; R249-L289 HydrophobicContact CB-CD1 3.94Å; R249-L289 HydrophobicContact CG-CD1 3.93Å
250G89.7Confident89.9Confident3 Ų367.6 Ų67.63%0.03135%0.349CS..Hα-helixtrans-55.1-45.2178.300000113.6L243 C246 L252 V253 K254L243-G250 VanDerWaalsContact O-CA 3.27Å; L243-G250 WeakPolarHBondContact O-CA 3.24Å; C246-G250 WeakPolarHBondContact O-CA 3.46Å; C246-G250 PolarHBondContact O-N 3.46Å; G250-L252 VanDerWaalsContact C-N 3.34Å; G250-L252 PolarHBondContact O-N 3.25Å; G250-V253 PolarHBondContact O-N 3.03Å; G250-K254 WeakPolarHBondContact O-CG 3.23Å; G250-K254 PolarHBondContact O-N 3.34Å; G250-K254 VanDerWaalsContact O-N 3.15Å
251P91.5Very high89.7Confident73 Ų7367.4 Ų67.447%0.47435%0.352SS..Hα-helixtrans-60.8-38.9174.8-25.135.2000113.4P247 K254 V255P247-P251 WeakPolarHBondContact O-CD 3.32Å; P247-P251 WeakPolarHBondContact O-CG 3.33Å; P251-K254 WeakPolarHBondContact O-CB 3.07Å; P251-K254 PolarHBondContact O-N 3.32Å; P251-V255 WeakPolarHBondContact O-CG2 3.03Å; P251-V255 PolarHBondContact O-N 3.48Å; P251-V255 VanDerWaalsContact O-N 3.13Å
252L91.9Very high89.5Confident37 Ų3772.7 Ų72.719%0.19437%0.368CS..Hα-helixtrans-63.6-44.1179.5-60.1178.3000111.3F124 R249 G250 K254 V255 I256 L289F124-L252 HydrophobicContact CB-CD2 4.27Å; F124-L252 HydrophobicContact CD1-CD2 4.06Å; F124-L252 HydrophobicContact CD2-CD1 4.35Å; F124-L252 HydrophobicContact CD2-CD2 3.8Å; F124-L252 HydrophobicContact CE1-CB 4.27Å; F124-L252 HydrophobicContact CE1-CD2 4.35Å; F124-L252 HydrophobicContact CE2-CB 4.22Å; F124-L252 HydrophobicContact CE2-CD1 4.16Å; F124-L252 HydrophobicContact CE2-CD2 4.12Å; F124-L252 HydrophobicContact CE2-CG 4.4Å; F124-L252 HydrophobicContact CG-CD2 3.77Å; F124-L252 HydrophobicContact CZ-CB 3.98Å; F124-L252 HydrophobicContact CZ-CD2 4.38Å; R249-L252 WeakPolarHBondContact O-CB 3.38Å; R249-L252 PolarHBondContact O-N 3.07Å; R249-L252 VanDerWaalsContact O-N 3.09Å; G250-L252 VanDerWaalsContact C-N 3.34Å; G250-L252 PolarHBondContact O-N 3.25Å; L252-K254 VanDerWaalsContact C-N 3.32Å; L252-K254 PolarHBondContact O-N 3.04Å; L252-V255 WeakPolarHBondContact O-CB 3.24Å; L252-V255 PolarHBondContact O-N 3.31Å; L252-I256 WeakPolarHBondContact O-CG1 3.32Å; L252-I256 PolarHBondContact O-N 3.03Å; L252-L289 HydrophobicContact CB-CD1 4.36Å; L252-L289 HydrophobicContact CD1-CD1 4.35Å
253V91.4Very high89.3Confident0 Ų076.1 Ų76.10%039%0.386CS..Hα-helixtrans-65.2-36.8177.7-177.40000111.6A239 H240 L243 R249 G250 V255 I256 L257 L289A239-V253 HydrophobicContact CB-CG1 4.07Å; A239-V253 HydrophobicContact CB-CG2 4.32Å; H240-V253 HydrophobicContact CB-CG1 3.8Å; L243-V253 HydrophobicContact CB-CG2 4.36Å; L243-V253 HydrophobicContact CD1-CG2 3.99Å; R249-V253 PolarHBondContact O-N 2.66Å; R249-V253 VanDerWaalsContact O-N 3.15Å; G250-V253 PolarHBondContact O-N 3.03Å; V253-V255 VanDerWaalsContact C-N 3.29Å; V253-V255 PolarHBondContact O-N 2.88Å; V253-I256 WeakPolarHBondContact O-CB 3.43Å; V253-I256 PolarHBondContact O-N 2.96Å; V253-I256 VanDerWaalsContact O-N 3.11Å; V253-L257 PolarHBondContact O-N 3.29Å; V253-L289 HydrophobicContact CG2-CD1 4.17Å; V253-L289 HydrophobicContact CG2-CD2 3.69Å
254K91.6Very high89Confident111 Ų11176.7 Ų76.748%0.48339%0.388SS..Hα-helixtrans-59.9-39.7173.8-73179.1-179.8-1800112G250 P251 L252 I256 L257 Q258G250-K254 WeakPolarHBondContact O-CG 3.23Å; G250-K254 PolarHBondContact O-N 3.34Å; G250-K254 VanDerWaalsContact O-N 3.15Å; P251-K254 WeakPolarHBondContact O-CB 3.07Å; P251-K254 PolarHBondContact O-N 3.32Å; L252-K254 VanDerWaalsContact C-N 3.32Å; L252-K254 PolarHBondContact O-N 3.04Å; K254-I256 VanDerWaalsContact C-N 3.29Å; K254-I256 PolarHBondContact O-N 3.22Å; K254-L257 PolarHBondContact O-N 3.36Å; K254-Q258 VanDerWaalsContact O-CG 3.31Å; K254-Q258 WeakPolarHBondContact O-CG 3.33Å; K254-Q258 PolarHBondContact O-N 2.9Å
255V92.1Very high89Confident58 Ų5870 Ų7035%0.35237%0.365SS..Hα-helixtrans-60.8-39.91751750000111F124 P251 L252 V253F124-V255 HydrophobicContact CD1-CG1 4.35Å; F124-V255 HydrophobicContact CE1-CG1 4.47Å; P251-V255 WeakPolarHBondContact O-CG2 3.03Å; P251-V255 PolarHBondContact O-N 3.48Å; P251-V255 VanDerWaalsContact O-N 3.13Å; L252-V255 WeakPolarHBondContact O-CB 3.24Å; L252-V255 PolarHBondContact O-N 3.31Å; V253-V255 VanDerWaalsContact C-N 3.29Å; V253-V255 PolarHBondContact O-N 2.88Å
256I92.7Very high88.9Confident0 Ų068.6 Ų68.60%036%0.362CS..Hα-helixtrans-65.2-47.6176.3-54.7173.6000110.3F124 T236 L252 V253 K254 Q258 K259 F260 L289 L292 H293F124-I256 HydrophobicContact CE1-CG1 4.15Å; F124-I256 HydrophobicContact CZ-CD1 4.23Å; F124-I256 HydrophobicContact CZ-CG1 4.28Å; T236-I256 HydrophobicContact CG2-CB 3.95Å; T236-I256 HydrophobicContact CG2-CG2 3.6Å; L252-I256 WeakPolarHBondContact O-CG1 3.32Å; L252-I256 PolarHBondContact O-N 3.03Å; V253-I256 WeakPolarHBondContact O-CB 3.43Å; V253-I256 PolarHBondContact O-N 2.96Å; V253-I256 VanDerWaalsContact O-N 3.11Å; K254-I256 VanDerWaalsContact C-N 3.29Å; K254-I256 PolarHBondContact O-N 3.22Å; I256-Q258 VanDerWaalsContact C-N 3.3Å; I256-Q258 PolarHBondContact O-N 2.67Å; I256-K259 VanDerWaalsContact O-CB 3.31Å; I256-K259 WeakPolarHBondContact O-CB 3.48Å; I256-K259 PolarHBondContact O-N 2.91Å; I256-F260 HydrophobicContact CG2-CE2 4.42Å; I256-L289 WeakPolarHBondContact CD1-O 3.3Å; I256-L292 HydrophobicContact CD1-CB 4.38Å; I256-L292 HydrophobicContact CD1-CD2 4.22Å; I256-L292 HydrophobicContact CD1-CG 4.23Å; I256-H293 HydrophobicContact CD1-CB 3.81Å; I256-H293 HydrophobicContact CG1-CB 3.71Å
257L90.4Very high88.6Confident46 Ų4674.2 Ų74.224%0.24138%0.382CS..Hα-helixtrans-61.8-38.1-177.9-171.263.9000112.2Y233 T236 T237 V253 K254 K259 F260Y233-L257 HydrophobicContact CD2-CD1 4.41Å; Y233-L257 HydrophobicContact CE2-CD1 3.79Å; T236-L257 HydrophobicContact CG2-CB 3.97Å; T236-L257 HydrophobicContact CG2-CD1 4.01Å; T237-L257 HydrophobicContact CG2-CD1 4.16Å; V253-L257 PolarHBondContact O-N 3.29Å; K254-L257 PolarHBondContact O-N 3.36Å; L257-K259 PolarHBondContact O-N 3.19Å; L257-K259 VanDerWaalsContact O-N 3.14Å; L257-F260 PolarHBondContact O-N 3.05Å
258Q91Very high88.3Confident157 Ų15769 Ų6973%0.73435%0.348SS*.THydrogen-bonded Turntrans-64-14.6176.1-75.3175.4-6.700114.1K254 I256 F260K254-Q258 VanDerWaalsContact O-CG 3.31Å; K254-Q258 WeakPolarHBondContact O-CG 3.33Å; K254-Q258 PolarHBondContact O-N 2.9Å; I256-Q258 VanDerWaalsContact C-N 3.3Å; I256-Q258 PolarHBondContact O-N 2.67Å; Q258-F260 VanDerWaalsContact C-N 3.29Å
259K90.2Very high88Confident101 Ų10162.7 Ų62.744%0.43932%0.318SS..THydrogen-bonded Turntrans-72.7-23.5175.4-64.8-60.3-177.4-1760112.8I256 L257 P261 L300I256-K259 VanDerWaalsContact O-CB 3.31Å; I256-K259 WeakPolarHBondContact O-CB 3.48Å; I256-K259 PolarHBondContact O-N 2.91Å; L257-K259 PolarHBondContact O-N 3.19Å; L257-K259 VanDerWaalsContact O-N 3.14Å; K259-P261 WeakPolarHBondContact O-CD 3.4Å; K259-L300 WeakPolarHBondContact O-CD2 3.11Å
260F90.7Very high87.3Confident13 Ų1366.3 Ų66.36%0.05734%0.336CS..SBendtrans-84.1113.2179.4-62.1-88.7000109.7V229 A232 Y233 T236 I256 L257 Q258 V265V229-F260 HydrophobicContact CG1-CE1 4.44Å; A232-F260 HydrophobicContact CB-CE1 4.46Å; A232-F260 HydrophobicContact CB-CZ 4.19Å; Y233-F260 HydrophobicContact CD2-CB 4.02Å; Y233-F260 AromaticContact CD2-CD1 3.87Å; Y233-F260 HydrophobicContact CD2-CD1 3.87Å; Y233-F260 AromaticContact CD2-CD2 3.94Å; Y233-F260 HydrophobicContact CD2-CD2 3.94Å; Y233-F260 HydrophobicContact CD2-CE1 4.26Å; Y233-F260 HydrophobicContact CD2-CE2 4.33Å; Y233-F260 AromaticContact CD2-CG 3.67Å; Y233-F260 HydrophobicContact CD2-CG 3.67Å; Y233-F260 HydrophobicContact CD2-CZ 4.47Å; Y233-F260 HydrophobicContact CE2-CB 4.21Å; Y233-F260 HydrophobicContact CE2-CG 4.31Å; T236-F260 HydrophobicContact CG2-CE2 4.11Å; I256-F260 HydrophobicContact CG2-CE2 4.42Å; L257-F260 PolarHBondContact O-N 3.05Å; Q258-F260 VanDerWaalsContact C-N 3.29Å; F260-V265 HydrophobicContact CB-CG2 3.94Å
261P87.3Confident86.2Confident49 Ų4971.2 Ų71.232%0.31837%0.37SS..  trans-7314417929.7-31.6000110.4K259 T263 I264 V265K259-P261 WeakPolarHBondContact O-CD 3.4Å; P261-T263 PolarHBondContact O-N 2.86Å; P261-T263 VanDerWaalsContact O-N 3.16Å; P261-I264 HydrophobicContact CG-CB 3.89Å; P261-I264 HydrophobicContact CG-CD1 3.51Å; P261-I264 HydrophobicContact CG-CG1 3.73Å; P261-I264 PolarHBondContact O-N 2.95Å; P261-V265 PolarHBondContact O-N 3.44Å; P261-V265 VanDerWaalsContact O-N 3.15Å
262E84.3Confident85Confident165 Ų16571.2 Ų71.277%0.77137%0.372SS*.Hα-helixtrans-58.4-32.1-176.1-64.4-179.3175.500113.1I264 V265 T266E262-I264 VanDerWaalsContact C-N 3.31Å; E262-I264 PolarHBondContact O-N 3.28Å; E262-V265 PolarHBondContact O-N 3.4Å; E262-T266 WeakPolarHBondContact O-CB 3.37Å; E262-T266 VanDerWaalsContact O-CG2 3.3Å; E262-T266 WeakPolarHBondContact O-CG2 3.25Å; E262-T266 PolarHBondContact O-N 3.19Å; E262-T266 PolarHBondContact O-OG1 3.06Å
263T84.8Confident83.8Confident105 Ų10570.3 Ų70.364%0.64437%0.367SS*.Hα-helixtrans-63.3-35.4176.953.10000113.1P261 T266 K267P261-T263 PolarHBondContact O-N 2.86Å; P261-T263 VanDerWaalsContact O-N 3.16Å; T263-T266 PolarHBondContact O-OG1 3.4Å; T263-K267 VanDerWaalsContact O-CB 3.24Å; T263-K267 WeakPolarHBondContact O-CB 3.46Å; T263-K267 PolarHBondContact O-N 2.89Å
264I83.9Confident82.5Confident13 Ų1375.4 Ų75.47%0.06739%0.39CS..Hα-helixtrans-77.6-44.9178.1-71.8-176.6000109V229 P261 E262 T266 K267 L268 L300 Y303 N304V229-I264 HydrophobicContact CG1-CG2 4.24Å; P261-I264 HydrophobicContact CG-CB 3.89Å; P261-I264 HydrophobicContact CG-CD1 3.51Å; P261-I264 HydrophobicContact CG-CG1 3.73Å; P261-I264 PolarHBondContact O-N 2.95Å; E262-I264 VanDerWaalsContact C-N 3.31Å; E262-I264 PolarHBondContact O-N 3.28Å; I264-T266 PolarHBondContact O-N 3.13Å; I264-K267 PolarHBondContact O-N 2.98Å; I264-L268 HydrophobicContact CB-CD1 4.26Å; I264-L268 HydrophobicContact CG2-CD1 3.3Å; I264-L268 WeakPolarHBondContact O-CB 3.28Å; I264-L268 WeakPolarHBondContact O-CD1 2.98Å; I264-L268 PolarHBondContact O-N 3.27Å; I264-L300 HydrophobicContact CD1-CD1 3.63Å; I264-L300 HydrophobicContact CG2-CD1 4.34Å; I264-Y303 HydrophobicContact CD1-CD1 4.2Å; I264-Y303 HydrophobicContact CD1-CE1 4.06Å; I264-Y303 HydrophobicContact CG1-CE1 4.27Å; I264-Y303 HydrophobicContact CG2-CE1 4.34Å; I264-N304 WeakPolarHBondContact CD1-OD1 3.18Å
265V84.7Confident81.1Confident19 Ų1978.6 Ų78.612%0.11541%0.406CS..Hα-helixtrans-58.3-49.6178.3176.70000111.1Y233 F260 P261 E262 K267 L268 M269 F274Y233-V265 HydrophobicContact CD2-CG2 4.14Å; Y233-V265 HydrophobicContact CE1-CG1 4.16Å; Y233-V265 HydrophobicContact CE2-CG1 4.2Å; Y233-V265 HydrophobicContact CE2-CG2 3.66Å; F260-V265 HydrophobicContact CB-CG2 3.94Å; P261-V265 PolarHBondContact O-N 3.44Å; P261-V265 VanDerWaalsContact O-N 3.15Å; E262-V265 PolarHBondContact O-N 3.4Å; V265-K267 VanDerWaalsContact C-N 3.33Å; V265-K267 PolarHBondContact O-N 2.85Å; V265-L268 PolarHBondContact O-N 2.9Å; V265-M269 HydrophobicContact CG1-CG 4.01Å; V265-M269 WeakPolarHBondContact O-CB 3.38Å; V265-M269 VanDerWaalsContact O-CG 3.23Å; V265-M269 WeakPolarHBondContact O-CG 3.45Å; V265-M269 PolarHBondContact O-N 3.39Å; V265-F274 HydrophobicContact CG1-CZ 4.48Å
266T84.8Confident79.9Confident110 Ų11078.3 Ų78.368%0.67541%0.405SS*.Hα-helixtrans-65.4-33.5179.649.50000113.4E262 T263 I264E262-T266 WeakPolarHBondContact O-CB 3.37Å; E262-T266 VanDerWaalsContact O-CG2 3.3Å; E262-T266 WeakPolarHBondContact O-CG2 3.25Å; E262-T266 PolarHBondContact O-N 3.19Å; E262-T266 PolarHBondContact O-OG1 3.06Å; T263-T266 PolarHBondContact O-OG1 3.4Å; I264-T266 PolarHBondContact O-N 3.13Å
267K82.9Confident78.5Confident155 Ų15583 Ų8367%0.67444%0.437SS*.Hα-helixtrans-74.6-39.8179.2-176.5177.6179.9-179.30112.7T263 I264 V265T263-K267 VanDerWaalsContact O-CB 3.24Å; T263-K267 WeakPolarHBondContact O-CB 3.46Å; T263-K267 PolarHBondContact O-N 2.89Å; I264-K267 PolarHBondContact O-N 2.98Å; V265-K267 VanDerWaalsContact C-N 3.33Å; V265-K267 PolarHBondContact O-N 2.85Å
268L80.7Confident77.4Confident10 Ų1081.7 Ų81.75%0.05244%0.435CS..Hα-helixtrans-100.1-30.3-167.6-70.6152000113.8E226 V229 K230 I264 V265 Y303E226-L268 HydrophobicContact CB-CD2 4.11Å; E226-L268 HydrophobicContact CG-CD2 3.44Å; E226-L268 VanDerWaalsContact CG-CD2 3.44Å; E226-L268 WeakPolarHBondContact OE1-CD2 3.26Å; V229-L268 HydrophobicContact CG1-CD1 4.38Å; K230-L268 VanDerWaalsContact CE-O 3.29Å; K230-L268 WeakPolarHBondContact CE-O 3.39Å; I264-L268 HydrophobicContact CB-CD1 4.26Å; I264-L268 HydrophobicContact CG2-CD1 3.3Å; I264-L268 WeakPolarHBondContact O-CB 3.28Å; I264-L268 WeakPolarHBondContact O-CD1 2.98Å; I264-L268 PolarHBondContact O-N 3.27Å; V265-L268 PolarHBondContact O-N 2.9Å; L268-Y303 HydrophobicContact CD1-CE1 3.92Å; L268-Y303 HydrophobicContact CD1-CE2 4.22Å; L268-Y303 HydrophobicContact CD2-CE2 4.03Å
269M82Confident76.5Confident18 Ų1877.5 Ų77.59%0.08943%0.427CS..  trans-93.3129.4-171.6-51.7-63.3149.200110.7V229 K230 Y233 V265 F274V229-M269 HydrophobicContact CG1-CE 4.37Å; K230-M269 HydrophobicContact CB-CE 4.26Å; K230-M269 HydrophobicContact CB-SD 4.4Å; K230-M269 HydrophobicContact CG-CE 3.8Å; K230-M269 HydrophobicContact CG-SD 4.03Å; Y233-M269 HydrophobicContact CD1-CE 4.1Å; Y233-M269 HydrophobicContact CD1-CG 3.93Å; Y233-M269 HydrophobicContact CD1-SD 3.64Å; Y233-M269 HydrophobicContact CE1-CG 4.08Å; Y233-M269 HydrophobicContact CE1-SD 4.36Å; Y233-M269 HydrophobicContact CG-CE 4.04Å; Y233-M269 HydrophobicContact CG-SD 4.2Å; V265-M269 HydrophobicContact CG1-CG 4.01Å; V265-M269 WeakPolarHBondContact O-CB 3.38Å; V265-M269 VanDerWaalsContact O-CG 3.23Å; V265-M269 WeakPolarHBondContact O-CG 3.45Å; V265-M269 PolarHBondContact O-N 3.39Å; M269-F274 HydrophobicContact CB-CE2 3.98Å; M269-F274 HydrophobicContact CB-CZ 3.87Å
270K75.5Confident76Confident149 Ų14979.8 Ų79.865%0.64844%0.444SS*.  trans-91.2161.6171.1-65.1176.9-177.3174.20109.8S272 D273 F274K270-S272 PolarHBondContact O-N 3.24Å; K270-S272 VanDerWaalsContact O-N 3.11Å; K270-D273 PolarHBondContact N-OD2 3.06Å; K270-D273 WeakPolarHBondContact O-CB 3.1Å; K270-D273 PolarHBondContact O-N 3.22Å; K270-F274 WeakPolarHBondContact O-CD2 3.43Å; K270-F274 VanDerWaalsContact O-CE2 3.28Å; K270-F274 WeakPolarHBondContact O-CE2 3.13Å
271S66Low75.7Confident107 Ų10781.2 Ų81.275%0.74845%0.449SS*.G310 helixtrans-54.6-32.817757.40000113.2D273 F274S271-D273 PolarHBondContact O-N 3.24Å; S271-F274 PolarHBondContact O-N 3.46Å
272S66Low75.3Confident73 Ų7381.8 Ų81.851%0.5146%0.458SS..G310 helixtrans-64.4-25.3175.554.60000113.9K270 F274K270-S272 PolarHBondContact O-N 3.24Å; K270-S272 VanDerWaalsContact O-N 3.11Å; S272-F274 PolarHBondContact O-N 2.88Å
273D66Low75.2Confident18 Ų1877.2 Ų77.210%0.09646%0.455CS..G310 helixtrans-78.2-7.9-175.7-59.6-36.4000112.8R234 K270 S271R234-D273 IonicContact CZ-OD1 3.51Å; R234-D273 IonicContact NE-OD1 3.53Å; R234-D273 IonicContact NH2-OD1 2.98Å; R234-D273 PolarHBondContact NH2-OD1 3.28Å; K270-D273 PolarHBondContact N-OD2 3.06Å; K270-D273 WeakPolarHBondContact O-CB 3.1Å; K270-D273 PolarHBondContact O-N 3.22Å; S271-D273 PolarHBondContact O-N 3.24Å
274F64.7Low75.3Confident107 Ų10772.7 Ų72.747%0.46943%0.429SS..G310 helixtrans-92.1-10.8180-63.3-86.2000113.4Y233 V265 M269 K270 S271 S272 V276Y233-F274 HydrophobicContact CE1-CE1 4.06Å; V265-F274 HydrophobicContact CG1-CZ 4.48Å; M269-F274 HydrophobicContact CB-CE2 3.98Å; M269-F274 HydrophobicContact CB-CZ 3.87Å; K270-F274 WeakPolarHBondContact O-CD2 3.43Å; K270-F274 VanDerWaalsContact O-CE2 3.28Å; K270-F274 WeakPolarHBondContact O-CE2 3.13Å; S271-F274 PolarHBondContact O-N 3.46Å; S272-F274 PolarHBondContact O-N 2.88Å; F274-V276 PolarHBondContact O-N 3.19Å; F274-V276 VanDerWaalsContact O-N 3.14Å
275E63.1Low75.5Confident178 Ų17875.7 Ų75.783%0.83245%0.445SS*.  trans-81.488.9175.8-68.1-174.5-179.200109.8
276V65.4Low75.8Confident52 Ų5279.6 Ų79.632%0.31546%0.464SS..  trans-122.6127.6-176.9-165.70000112A238 F274 G278A238-V276 HydrophobicContact CB-CB 4.46Å; A238-V276 HydrophobicContact CB-CG1 3.46Å; A238-V276 VanDerWaalsContact CB-CG1 3.46Å; F274-V276 PolarHBondContact O-N 3.19Å; F274-V276 VanDerWaalsContact O-N 3.14Å; V276-G278 PolarHBondContact O-N 3.42Å
277S64.8Low75.9Confident97 Ų9780.2 Ų80.268%0.67846%0.458SS*.  trans-79.1112.9173.7-162.90000109.7A279S277-A279 PolarHBondContact O-N 3.02Å
278G67.2Low76.3Confident19 Ų1975.4 Ų75.420%0.19644%0.443CS..G310 helixtrans-75.12.7-17600000115.6A242 V276 D280 Y281A242-G278 VanDerWaalsContact CB-O 3.23Å; A242-G278 WeakPolarHBondContact CB-O 3.3Å; V276-G278 PolarHBondContact O-N 3.42Å; G278-D280 VanDerWaalsContact C-N 3.29Å; G278-D280 PolarHBondContact O-N 2.83Å; G278-Y281 PolarHBondContact O-N 3.13Å
279A72.1Confident76.8Confident70 Ų7075 Ų7558%0.57944%0.441SS*.G310 helixtrans-59-38.7-171.400000113S277 Y281 A282S277-A279 PolarHBondContact O-N 3.02Å; A279-Y281 PolarHBondContact O-N 2.76Å; A279-A282 PolarHBondContact O-N 3.24Å
280D78.4Confident77.3Confident148 Ų14874.3 Ų74.379%0.79144%0.439SS*.G310 helixtrans-66.5-24.5-174.5-63.6-18.5000113.4G278G278-D280 VanDerWaalsContact C-N 3.29Å; G278-D280 PolarHBondContact O-N 2.83Å
281Y84.2Confident78Confident43 Ų4370.8 Ų70.817%0.16943%0.427CS..G310 helixtrans-103.3-1.2-175.9-74.1-81.4000114.6D235 A238 A239 G278 A279 G283 A284 L292D235-Y281 HydrophobicContact CB-CE2 4.19Å; D235-Y281 WeakPolarHBondContact CB-OH 3.48Å; D235-Y281 VanDerWaalsContact CG-OH 3.22Å; D235-Y281 PolarHBondContact OD2-OH 3.44Å; A238-Y281 HydrophobicContact CB-CD2 3.63Å; A238-Y281 HydrophobicContact CB-CE2 3.95Å; A239-Y281 HydrophobicContact CB-CD1 3.91Å; A239-Y281 HydrophobicContact CB-CD2 4.47Å; A239-Y281 HydrophobicContact CB-CG 3.87Å; G278-Y281 PolarHBondContact O-N 3.13Å; A279-Y281 PolarHBondContact O-N 2.76Å; Y281-G283 PolarHBondContact O-N 3.47Å; Y281-A284 HydrophobicContact CD1-CB 4.06Å; Y281-A284 WeakPolarHBondContact O-CB 3.17Å; Y281-A284 PolarHBondContact O-N 3.42Å; Y281-A284 VanDerWaalsContact O-N 3.09Å; Y281-L292 HydrophobicContact CE1-CD2 4.34Å
282A79.8Confident79.3Confident61 Ų6165.9 Ų65.950%0.50439%0.392SS..THydrogen-bonded Turntrans-58.6-35.3179.200000112.4A279A279-A282 PolarHBondContact O-N 3.24Å
283G82.8Confident80.6Confident69 Ų6963 Ų6371%0.71137%0.37SS*.THydrogen-bonded Turntrans-92.64.4178.200000115.5Y281 D285Y281-G283 PolarHBondContact O-N 3.47Å; G283-D285 PolarHBondContact O-N 3.04Å
284A85.6Confident81.7Confident10 Ų1064.9 Ų64.98%0.08338%0.378CS..  trans-63.4126.7-172.800000111.9L243 R249 Y281 L289L243-A284 HydrophobicContact CD1-CB 4.4Å; R249-A284 WeakPolarHBondContact CD-O 3.12Å; R249-A284 PolarHBondContact NH1-O 3.16Å; Y281-A284 HydrophobicContact CD1-CB 4.06Å; Y281-A284 WeakPolarHBondContact O-CB 3.17Å; Y281-A284 PolarHBondContact O-N 3.42Å; Y281-A284 VanDerWaalsContact O-N 3.09Å; A284-L289 HydrophobicContact CB-CD2 4.45Å
285D89.6Confident83Confident76 Ų7664 Ų6441%0.40637%0.372SS..  trans-83.1169.5176.873.8-22.8000111.7G283 K287 S288 L289G283-D285 PolarHBondContact O-N 3.04Å; D285-K287 PolarHBondContact O-N 2.96Å; D285-K287 WeakPolarHBondContact OD2-CB 3.02Å; D285-S288 PolarHBondContact O-N 2.68Å; D285-S288 VanDerWaalsContact O-N 3.14Å; D285-S288 WeakPolarHBondContact OD1-CA 3.38Å; D285-S288 WeakPolarHBondContact OD1-CB 3.32Å; D285-S288 PolarHBondContact OD1-N 3.43Å; D285-S288 PolarHBondContact OD1-OG 3.47Å; D285-L289 WeakPolarHBondContact O-CG 3.29Å; D285-L289 PolarHBondContact O-N 2.96Å
286I89.7Confident84.4Confident101 Ų10155.6 Ų55.652%0.51833%0.332SS..Hα-helixtrans-59.5-33.3-179.9-62.3172.7000111L289 A290I286-L289 PolarHBondContact O-N 3.2Å; I286-A290 WeakPolarHBondContact O-CB 3.42Å; I286-A290 PolarHBondContact O-N 2.77Å
287K88.2Confident85.5Confident124 Ų12455.3 Ų55.354%0.53933%0.329SS..Hα-helixtrans-68.1-42.7177.4-172.3-177.4176-173.50111.6D285 L289 A290 N291D285-K287 PolarHBondContact O-N 2.96Å; D285-K287 WeakPolarHBondContact OD2-CB 3.02Å; K287-L289 VanDerWaalsContact C-N 3.33Å; K287-A290 PolarHBondContact O-N 2.96Å; K287-N291 PolarHBondContact O-N 3.1Å
288S90.4Very high86.6Confident54 Ų5455.3 Ų55.338%0.37831%0.314SS..Hα-helixtrans-63.4-40.7174.5-61.40000111D285 N291 L292D285-S288 PolarHBondContact O-N 2.68Å; D285-S288 VanDerWaalsContact O-N 3.14Å; D285-S288 WeakPolarHBondContact OD1-CA 3.38Å; D285-S288 WeakPolarHBondContact OD1-CB 3.32Å; D285-S288 PolarHBondContact OD1-N 3.43Å; D285-S288 PolarHBondContact OD1-OG 3.47Å; S288-N291 PolarHBondContact O-N 3.28Å; S288-L292 WeakPolarHBondContact O-CB 3.49Å; S288-L292 PolarHBondContact O-N 2.68Å
289L92.3Very high87.7Confident0 Ų054.7 Ų54.70%031%0.307CS..Hα-helixtrans-65.1-39.3173.8-67.1-178.9000112.7L243 R249 L252 V253 I256 A284 D285 I286 K287 N291 L292 H293L243-L289 HydrophobicContact CD1-CD1 4.25Å; L243-L289 HydrophobicContact CD1-CD2 4.04Å; R249-L289 HydrophobicContact CB-CD1 3.94Å; R249-L289 HydrophobicContact CG-CD1 3.93Å; L252-L289 HydrophobicContact CB-CD1 4.36Å; L252-L289 HydrophobicContact CD1-CD1 4.35Å; V253-L289 HydrophobicContact CG2-CD1 4.17Å; V253-L289 HydrophobicContact CG2-CD2 3.69Å; I256-L289 WeakPolarHBondContact CD1-O 3.3Å; A284-L289 HydrophobicContact CB-CD2 4.45Å; D285-L289 WeakPolarHBondContact O-CG 3.29Å; D285-L289 PolarHBondContact O-N 2.96Å; I286-L289 PolarHBondContact O-N 3.2Å; K287-L289 VanDerWaalsContact C-N 3.33Å; L289-N291 VanDerWaalsContact C-N 3.34Å; L289-L292 PolarHBondContact O-N 3.28Å; L289-H293 WeakPolarHBondContact O-CB 3.46Å; L289-H293 PolarHBondContact O-N 3.49Å
290A90.7Very high88.5Confident5 Ų552.4 Ų52.44%0.04128%0.284CS..Hα-helixtrans-65.4-38.3174.300000111.7F124 I286 K287 H293 K294F124-A290 HydrophobicContact CE2-CB 4.36Å; I286-A290 WeakPolarHBondContact O-CB 3.42Å; I286-A290 PolarHBondContact O-N 2.77Å; K287-A290 PolarHBondContact O-N 2.96Å; A290-H293 PolarHBondContact O-N 3.04Å; A290-K294 WeakPolarHBondContact O-CB 3.32Å; A290-K294 PolarHBondContact O-N 2.7Å
291N91.6Very high88.8Confident75 Ų7549.9 Ų49.940%0.40127%0.268SS..Hα-helixtrans-66.9-41.8173.9-73.8-20.5000111.9K287 S288 L289 K294 R295K287-N291 PolarHBondContact O-N 3.1Å; S288-N291 PolarHBondContact O-N 3.28Å; L289-N291 VanDerWaalsContact C-N 3.34Å; N291-K294 WeakPolarHBondContact O-CB 3.29Å; N291-K294 PolarHBondContact O-N 3.44Å; N291-R295 WeakPolarHBondContact O-CB 3.15Å; N291-R295 PolarHBondContact O-N 3.09Å
292L92Very high88.9Confident4 Ų449.3 Ų49.32%0.02127%0.268CS..Hα-helixtrans-60.2-48.5174.1178.961.5000110.3D235 A239 I256 Y281 S288 L289 K294 R295 S296D235-L292 HydrophobicContact CB-CD1 3.81Å; A239-L292 HydrophobicContact CB-CD2 3.96Å; I256-L292 HydrophobicContact CD1-CB 4.38Å; I256-L292 HydrophobicContact CD1-CD2 4.22Å; I256-L292 HydrophobicContact CD1-CG 4.23Å; Y281-L292 HydrophobicContact CE1-CD2 4.34Å; S288-L292 WeakPolarHBondContact O-CB 3.49Å; S288-L292 PolarHBondContact O-N 2.68Å; L289-L292 PolarHBondContact O-N 3.28Å; L292-K294 VanDerWaalsContact C-N 3.33Å; L292-K294 PolarHBondContact O-N 3.11Å; L292-R295 VanDerWaalsContact CD1-NH2 3.26Å; L292-R295 PolarHBondContact O-N 3.31Å; L292-R295 VanDerWaalsContact O-N 3.14Å; L292-S296 PolarHBondContact O-N 3.4Å; L292-S296 PolarHBondContact O-OG 3.03Å
293H93.3Very high89.3Confident11 Ų1146.8 Ų46.85%0.05125%0.245CC..Hα-helixtrans-55.7-47.7175.6-176.3-148.5000112.1G122 F124 I256 L289 A290 R295 S296 I297G122-H293 PolarHBondContact O-ND1 2.75Å; F124-H293 AromaticContact CD1-ND1 3.85Å; F124-H293 HydrophobicContact CE1-CB 4.16Å; F124-H293 AromaticContact CE1-CG 3.85Å; F124-H293 AromaticContact CE1-ND1 3.55Å; F124-H293 HydrophobicContact CZ-CB 4Å; I256-H293 HydrophobicContact CD1-CB 3.81Å; I256-H293 HydrophobicContact CG1-CB 3.71Å; L289-H293 WeakPolarHBondContact O-CB 3.46Å; L289-H293 PolarHBondContact O-N 3.49Å; A290-H293 PolarHBondContact O-N 3.04Å; H293-R295 PolarHBondContact O-N 3.08Å; H293-S296 PolarHBondContact O-N 2.85Å; H293-I297 WeakPolarHBondContact NE2-CD1 3.17Å; H293-I297 WeakPolarHBondContact O-CG1 3.36Å; H293-I297 PolarHBondContact O-N 3.29Å
294K90.6Very high89.4Confident59 Ų5945.9 Ų45.926%0.25722%0.224SC..Hα-helixtrans-58.1-46.5176.1-167.3-164.3-162-162.40111.7N120 A290 N291 L292 I297 R298N120-K294 WeakPolarHBondContact O-CE 3.19Å; A290-K294 WeakPolarHBondContact O-CB 3.32Å; A290-K294 PolarHBondContact O-N 2.7Å; N291-K294 WeakPolarHBondContact O-CB 3.29Å; N291-K294 PolarHBondContact O-N 3.44Å; L292-K294 VanDerWaalsContact C-N 3.33Å; L292-K294 PolarHBondContact O-N 3.11Å; K294-I297 PolarHBondContact O-N 3.33Å; K294-R298 VanDerWaalsContact CE-NH2 3.26Å; K294-R298 WeakPolarHBondContact O-CB 3.45Å; K294-R298 WeakPolarHBondContact O-CG 3.46Å; K294-R298 PolarHBondContact O-N 3.09Å
295R92.1Very high89.3Confident89 Ų8946.7 Ų46.734%0.33623%0.225SC..Hα-helixtrans-64.7-44.6179.9-175.4174.755163.8-3.9111E231 D235 N291 L292 H293 I297 R298 S299E231-R295 IonicContact OE1-NH1 3.47Å; E231-R295 PolarHBondContact OE1-NH1 3.31Å; D235-R295 IonicContact OD2-CZ 3.18Å; D235-R295 IonicContact OD2-NH1 3.3Å; D235-R295 PolarHBondContact OD2-NH1 3.41Å; D235-R295 IonicContact OD2-NH2 2.6Å; D235-R295 PolarHBondContact OD2-NH2 2.83Å; N291-R295 WeakPolarHBondContact O-CB 3.15Å; N291-R295 PolarHBondContact O-N 3.09Å; L292-R295 VanDerWaalsContact CD1-NH2 3.26Å; L292-R295 PolarHBondContact O-N 3.31Å; L292-R295 VanDerWaalsContact O-N 3.14Å; H293-R295 PolarHBondContact O-N 3.08Å; R295-I297 PolarHBondContact O-N 3.04Å; R295-R298 PolarHBondContact O-N 2.96Å; R295-S299 PolarHBondContact O-N 3.39Å; R295-S299 PolarHBondContact O-OG 2.79Å
296S92.3Very high89.2Confident1 Ų143.2 Ų43.21%0.00721%0.207CC..Hα-helixtrans-62.1-40.6177.8-580000112.8T236 L292 H293 S299 L300T236-S296 PolarHBondContact OG1-OG 3.3Å; L292-S296 PolarHBondContact O-N 3.4Å; L292-S296 PolarHBondContact O-OG 3.03Å; H293-S296 PolarHBondContact O-N 2.85Å; S296-S299 PolarHBondContact O-OG 3.21Å; S296-L300 VanDerWaalsContact O-CB 3.24Å; S296-L300 WeakPolarHBondContact O-CB 3.35Å; S296-L300 PolarHBondContact O-N 3.05Å
297I88.3Confident89.1Confident46 Ų4639.7 Ų39.724%0.23619%0.19CC..Hα-helixtrans-63.5-48.4174.4-69.9167.1000110.4H293 K294 R295 L300 Q301H293-I297 WeakPolarHBondContact NE2-CD1 3.17Å; H293-I297 WeakPolarHBondContact O-CG1 3.36Å; H293-I297 PolarHBondContact O-N 3.29Å; K294-I297 PolarHBondContact O-N 3.33Å; R295-I297 PolarHBondContact O-N 3.04Å; I297-L300 PolarHBondContact O-N 2.97Å; I297-Q301 HydrophobicContact CG2-CG 4.34Å; I297-Q301 WeakPolarHBondContact O-CB 3.48Å; I297-Q301 VanDerWaalsContact O-CG 3.28Å; I297-Q301 WeakPolarHBondContact O-CG 3.26Å; I297-Q301 PolarHBondContact O-N 3.12Å
298R87.6Confident88.9Confident96 Ų9634.7 Ų34.736%0.36217%0.171SC..Hα-helixtrans-63.5-48.4-177.3-75.7173.9175.1-163.6-14112.3N120 K294 R295 L300 Q301 D302N120-R298 PolarHBondContact OD1-NH2 2.98Å; K294-R298 VanDerWaalsContact CE-NH2 3.26Å; K294-R298 WeakPolarHBondContact O-CB 3.45Å; K294-R298 WeakPolarHBondContact O-CG 3.46Å; K294-R298 PolarHBondContact O-N 3.09Å; R295-R298 PolarHBondContact O-N 2.96Å; R298-L300 VanDerWaalsContact C-N 3.3Å; R298-L300 PolarHBondContact O-N 2.9Å; R298-Q301 PolarHBondContact O-N 3.05Å; R298-D302 WeakPolarHBondContact O-CB 3.37Å; R298-D302 VanDerWaalsContact O-CG 3.24Å; R298-D302 PolarHBondContact O-N 3.27Å
299S90.4Very high88.8Confident7 Ų733.8 Ų33.85%0.04916%0.161CC..Hα-helixtrans-61.6-41.1179.160.60000111.5V229 A232 R295 S296 D302 Y303V229-S299 VanDerWaalsContact CG2-C 3.45Å; V229-S299 WeakPolarHBondContact CG2-O 3.49Å; A232-S299 WeakPolarHBondContact CB-OG 3.07Å; R295-S299 PolarHBondContact O-N 3.39Å; R295-S299 PolarHBondContact O-OG 2.79Å; S296-S299 PolarHBondContact O-OG 3.21Å; S299-D302 PolarHBondContact O-N 3.17Å; S299-Y303 WeakPolarHBondContact O-CB 3.34Å; S299-Y303 PolarHBondContact O-N 3.32Å
300L89Confident88.7Confident21 Ų2134.5 Ų34.511%0.1116%0.164CC..Hα-helixtrans-64.9-39.9176.3-176.464.2000112.6K259 I264 S296 I297 R298 N304K259-L300 WeakPolarHBondContact O-CD2 3.11Å; I264-L300 HydrophobicContact CD1-CD1 3.63Å; I264-L300 HydrophobicContact CG2-CD1 4.34Å; S296-L300 VanDerWaalsContact O-CB 3.24Å; S296-L300 WeakPolarHBondContact O-CB 3.35Å; S296-L300 PolarHBondContact O-N 3.05Å; I297-L300 PolarHBondContact O-N 2.97Å; R298-L300 VanDerWaalsContact C-N 3.3Å; R298-L300 PolarHBondContact O-N 2.9Å; L300-N304 WeakPolarHBondContact O-CB 3.38Å; L300-N304 VanDerWaalsContact O-CG 3.29Å; L300-N304 PolarHBondContact O-N 3.33Å; L300-N304 PolarHBondContact O-ND2 3.26Å
301Q84Confident88.6Confident96 Ų9638.5 Ų38.545%0.44919%0.185SC..Hα-helixtrans-64.5-48.1174.5-75.7172.5-25.200111I297 R298 Y303 N304 R305I297-Q301 HydrophobicContact CG2-CG 4.34Å; I297-Q301 WeakPolarHBondContact O-CB 3.48Å; I297-Q301 VanDerWaalsContact O-CG 3.28Å; I297-Q301 WeakPolarHBondContact O-CG 3.26Å; I297-Q301 PolarHBondContact O-N 3.12Å; R298-Q301 PolarHBondContact O-N 3.05Å; Q301-Y303 VanDerWaalsContact C-N 3.34Å; Q301-Y303 PolarHBondContact O-N 3.45Å; Q301-N304 PolarHBondContact O-N 3.46Å; Q301-R305 VanDerWaalsContact O-CB 3.24Å; Q301-R305 WeakPolarHBondContact O-CB 3.49Å; Q301-R305 PolarHBondContact O-N 2.95Å
302D85.9Confident88.3Confident30 Ų3036 Ų3616%0.1618%0.175CC..Hα-helixtrans-59.7-42.5178.9-71.8-27.1000111.7R298 S299 R305 S306R298-D302 WeakPolarHBondContact O-CB 3.37Å; R298-D302 VanDerWaalsContact O-CG 3.24Å; R298-D302 PolarHBondContact O-N 3.27Å; S299-D302 PolarHBondContact O-N 3.17Å; D302-R305 IonicContact OD1-CZ 3.57Å; D302-R305 IonicContact OD1-NH1 2.83Å; D302-R305 PolarHBondContact OD1-NH1 3.01Å; D302-R305 IonicContact OD1-NH2 3.69Å; D302-R305 PolarHBondContact OD1-NH2 3.46Å; D302-S306 WeakPolarHBondContact O-CB 3.15Å; D302-S306 PolarHBondContact O-N 3.38Å; D302-S306 PolarHBondContact O-OG 2.67Å
303Y89.1Confident88.2Confident8 Ų837.5 Ų37.53%0.03118%0.182CC..Hα-helixtrans-66.2-51.7176.2171.3-101.4000112.3E226 V229 I264 L268 S299 Q301 R305 S306 V307E226-Y303 HydrophobicContact CB-CD2 4.06Å; E226-Y303 HydrophobicContact CB-CE2 4.06Å; V229-Y303 HydrophobicContact CG2-CG 4.12Å; I264-Y303 HydrophobicContact CD1-CD1 4.2Å; I264-Y303 HydrophobicContact CD1-CE1 4.06Å; I264-Y303 HydrophobicContact CG1-CE1 4.27Å; I264-Y303 HydrophobicContact CG2-CE1 4.34Å; L268-Y303 HydrophobicContact CD1-CE1 3.92Å; L268-Y303 HydrophobicContact CD1-CE2 4.22Å; L268-Y303 HydrophobicContact CD2-CE2 4.03Å; S299-Y303 WeakPolarHBondContact O-CB 3.34Å; S299-Y303 PolarHBondContact O-N 3.32Å; Q301-Y303 VanDerWaalsContact C-N 3.34Å; Q301-Y303 PolarHBondContact O-N 3.45Å; Y303-R305 PolarHBondContact O-N 3.47Å; Y303-S306 PolarHBondContact O-N 3.02Å; Y303-S306 VanDerWaalsContact O-N 3.13Å; Y303-V307 HydrophobicContact CD1-CG2 4.41Å; Y303-V307 HydrophobicContact CD2-CG2 4.14Å; Y303-V307 HydrophobicContact CE1-CG2 3.98Å; Y303-V307 HydrophobicContact CE2-CG2 3.68Å; Y303-V307 HydrophobicContact CG-CG2 4.49Å; Y303-V307 WeakPolarHBondContact O-CG2 3.4Å; Y303-V307 PolarHBondContact O-N 3.49Å
304N85.3Confident88.2Confident50 Ų5037.3 Ų37.327%0.26718%0.181SC..Hα-helixtrans-58.9-37.9179.5-76.4-43.5000111.8I264 L300 Q301 A308I264-N304 WeakPolarHBondContact CD1-OD1 3.18Å; L300-N304 WeakPolarHBondContact O-CB 3.38Å; L300-N304 VanDerWaalsContact O-CG 3.29Å; L300-N304 PolarHBondContact O-N 3.33Å; L300-N304 PolarHBondContact O-ND2 3.26Å; Q301-N304 PolarHBondContact O-N 3.46Å; N304-A308 WeakPolarHBondContact O-CB 3.34Å; N304-A308 PolarHBondContact O-N 3.24Å
305R83.3Confident88.1Confident28 Ų2837.1 Ų37.111%0.10619%0.191CC..Hα-helixtrans-63.8-51.2173.7-179.6-175.376.6-139.2-10.6111.6Q301 D302 Y303 V307 A308 Q309 H443 D445 H449Q301-R305 VanDerWaalsContact O-CB 3.24Å; Q301-R305 WeakPolarHBondContact O-CB 3.49Å; Q301-R305 PolarHBondContact O-N 2.95Å; D302-R305 IonicContact OD1-CZ 3.57Å; D302-R305 IonicContact OD1-NH1 2.83Å; D302-R305 PolarHBondContact OD1-NH1 3.01Å; D302-R305 IonicContact OD1-NH2 3.69Å; D302-R305 PolarHBondContact OD1-NH2 3.46Å; Y303-R305 PolarHBondContact O-N 3.47Å; R305-V307 VanDerWaalsContact C-N 3.25Å; R305-V307 PolarHBondContact O-N 2.88Å; R305-A308 PolarHBondContact O-N 3.33Å; R305-Q309 HydrophobicContact CG-CG 4.39Å; R305-Q309 WeakPolarHBondContact O-CG 3.4Å; R305-Q309 PolarHBondContact O-N 3.1Å; R305-H443 WeakPolarHBondContact CD-NE2 3.45Å; R305-H443 PolarHBondContact NH1-CE1 2.83Å; R305-H443 PolarHBondContact NH1-NE2 3.27Å; R305-D445 WeakPolarHBondContact CD-OD2 3.18Å; R305-D445 WeakPolarHBondContact CG-OD2 3.46Å; R305-D445 IonicContact NE-OD2 3.94Å; R305-H449 HydrophobicContact CG-CB 4.33Å
306S87.8Confident87.9Confident3 Ų335.5 Ų35.52%0.02119%0.193CC..Hα-helixtrans-59.8-38.2-179.1-55.50000111.6D302 Y303 W310D302-S306 WeakPolarHBondContact O-CB 3.15Å; D302-S306 PolarHBondContact O-N 3.38Å; D302-S306 PolarHBondContact O-OG 2.67Å; Y303-S306 PolarHBondContact O-N 3.02Å; Y303-S306 VanDerWaalsContact O-N 3.13Å; S306-W310 WeakPolarHBondContact O-CB 3.4Å; S306-W310 PolarHBondContact O-N 3.32Å
307V87.6Confident87.9Confident27 Ų2735.4 Ų35.416%0.16419%0.193CC..Hα-helixtrans-64.3-45.5173.1172.90000111.5Y303 R305 W310 D311Y303-V307 HydrophobicContact CD1-CG2 4.41Å; Y303-V307 HydrophobicContact CD2-CG2 4.14Å; Y303-V307 HydrophobicContact CE1-CG2 3.98Å; Y303-V307 HydrophobicContact CE2-CG2 3.68Å; Y303-V307 HydrophobicContact CG-CG2 4.49Å; Y303-V307 WeakPolarHBondContact O-CG2 3.4Å; Y303-V307 PolarHBondContact O-N 3.49Å; R305-V307 VanDerWaalsContact C-N 3.25Å; R305-V307 PolarHBondContact O-N 2.88Å; V307-W310 VanDerWaalsContact O-CB 3.3Å; V307-W310 WeakPolarHBondContact O-CB 3.22Å; V307-W310 PolarHBondContact O-N 2.83Å; V307-D311 VanDerWaalsContact O-CG 3.23Å; V307-D311 PolarHBondContact O-N 2.9Å
308A84Confident88.1Confident18 Ų1833.8 Ų33.815%0.14918%0.184CC..Hα-helixtrans-69-40.2-179.600000113.6N304 R305 W310 D311 A312 H449N304-A308 WeakPolarHBondContact O-CB 3.34Å; N304-A308 PolarHBondContact O-N 3.24Å; R305-A308 PolarHBondContact O-N 3.33Å; A308-W310 VanDerWaalsContact C-N 3.25Å; A308-W310 PolarHBondContact O-N 3.11Å; A308-D311 PolarHBondContact O-N 3.44Å; A308-A312 WeakPolarHBondContact O-CB 3.48Å; A308-A312 PolarHBondContact O-N 3.19Å; A308-H449 WeakPolarHBondContact CB-CD2 3.27Å; A308-H449 WeakPolarHBondContact CB-CE1 3.4Å; A308-H449 WeakPolarHBondContact CB-NE2 3.27Å
309Q86.7Confident88.2Confident35 Ų3532.8 Ų32.816%0.16418%0.18CC..Hα-helixtrans-59.9-40.9171.3-72.4174-44.300110.6L218 R305 L313 D445L218-Q309 HydrophobicContact CD1-CB 4.32Å; L218-Q309 HydrophobicContact CD2-CB 3.83Å; R305-Q309 HydrophobicContact CG-CG 4.39Å; R305-Q309 WeakPolarHBondContact O-CG 3.4Å; R305-Q309 PolarHBondContact O-N 3.1Å; Q309-L313 WeakPolarHBondContact O-CB 3.36Å; Q309-L313 PolarHBondContact O-N 3.42Å; Q309-D445 PolarHBondContact NE2-OD1 2.96Å; Q309-D445 PolarHBondContact NE2-OD2 2.68Å
310W90.5Very high88.1Confident16 Ų1636.4 Ų36.46%0.06119%0.193CC..Hα-helixtrans-59.4-51.6176.2174.3-85.2000110.5L215 L218 K222 S306 V307 A308 A312 L313 M314 L561L215-W310 HydrophobicContact CD2-CD2 4.48Å; L215-W310 HydrophobicContact CD2-CE3 4.18Å; L215-W310 HydrophobicContact CD2-CZ3 4.32Å; L218-W310 HydrophobicContact CD2-CB 4.18Å; L218-W310 HydrophobicContact CG-CE3 4.44Å; K222-W310 HydrophobicContact CD-CB 4.14Å; K222-W310 HydrophobicContact CD-CD2 3.98Å; K222-W310 HydrophobicContact CD-CE3 4.01Å; K222-W310 HydrophobicContact CD-CG 4.04Å; S306-W310 WeakPolarHBondContact O-CB 3.4Å; S306-W310 PolarHBondContact O-N 3.32Å; V307-W310 VanDerWaalsContact O-CB 3.3Å; V307-W310 WeakPolarHBondContact O-CB 3.22Å; V307-W310 PolarHBondContact O-N 2.83Å; A308-W310 VanDerWaalsContact C-N 3.25Å; A308-W310 PolarHBondContact O-N 3.11Å; W310-A312 PolarHBondContact O-N 3.41Å; W310-L313 PolarHBondContact O-N 3.49Å; W310-M314 HydrophobicContact CH2-CE 4.38Å; W310-M314 HydrophobicContact CZ2-CE 3.63Å; W310-M314 WeakPolarHBondContact O-CB 3.35Å; W310-M314 PolarHBondContact O-N 2.89Å; W310-L561 HydrophobicContact CH2-CB 4.14Å; W310-L561 HydrophobicContact CH2-CD1 3.81Å; W310-L561 HydrophobicContact CH2-CD2 4.06Å; W310-L561 HydrophobicContact CH2-CG 4.21Å; W310-L561 HydrophobicContact CZ3-CD1 4.33Å
311D88.8Confident88.2Confident89 Ų8936.7 Ų36.748%0.47619%0.194SC..Hα-helixtrans-62.8-44.4-179.1-64-19.2000111.8V307 A308 M314 A315V307-D311 VanDerWaalsContact O-CG 3.23Å; V307-D311 PolarHBondContact O-N 2.9Å; A308-D311 PolarHBondContact O-N 3.44Å; D311-M314 PolarHBondContact O-N 3.03Å; D311-A315 VanDerWaalsContact O-CB 3.3Å; D311-A315 WeakPolarHBondContact O-CB 3.12Å; D311-A315 PolarHBondContact O-N 2.98Å
312A86.2Confident88.4Confident23 Ų2332.4 Ų32.419%0.1917%0.174CC..Hα-helixtrans-65.7-41.9179.100000112.5A308 W310 S316A308-A312 WeakPolarHBondContact O-CB 3.48Å; A308-A312 PolarHBondContact O-N 3.19Å; W310-A312 PolarHBondContact O-N 3.41Å; A312-S316 WeakPolarHBondContact O-CB 3.46Å; A312-S316 PolarHBondContact O-N 3.16Å; A312-S316 PolarHBondContact O-OG 3.46Å
313L90Very high88.6Confident35 Ų3532.2 Ų32.218%0.18317%0.173CC..Hα-helixtrans-72.3-39178.3-175.561.8000111.4A211 R214 L215 L218 Q309 W310 S316 A317A211-L313 HydrophobicContact CB-CD1 4.43Å; R214-L313 HydrophobicContact CB-CD2 3.58Å; L215-L313 HydrophobicContact CB-CD2 4.44Å; L215-L313 HydrophobicContact CD2-CB 4.04Å; L215-L313 HydrophobicContact CD2-CD2 3.73Å; L215-L313 HydrophobicContact CD2-CG 3.76Å; L215-L313 HydrophobicContact CG-CD2 3.68Å; L215-L313 HydrophobicContact CG-CG 3.76Å; L218-L313 HydrophobicContact CD2-CD2 4.2Å; Q309-L313 WeakPolarHBondContact O-CB 3.36Å; Q309-L313 PolarHBondContact O-N 3.42Å; W310-L313 PolarHBondContact O-N 3.49Å; L313-S316 CarbonylContact O-C 3.59Å; L313-S316 WeakPolarHBondContact O-CB 3.28Å; L313-S316 PolarHBondContact O-N 3.21Å; L313-A317 WeakPolarHBondContact O-CB 3.47Å; L313-A317 PolarHBondContact O-N 3.46Å
314M92.6Very high88.5Confident7 Ų733 Ų333%0.03418%0.176CC..Hα-helixtrans-61.3-49.6174.8-178.261.773.800110.8L215 W310 D311 S316 A317 L318 V562 E565L215-M314 HydrophobicContact CD1-CE 4.4Å; L215-M314 HydrophobicContact CD1-SD 4.43Å; L215-M314 HydrophobicContact CD2-CB 4.45Å; L215-M314 HydrophobicContact CD2-CE 4.31Å; W310-M314 HydrophobicContact CH2-CE 4.38Å; W310-M314 HydrophobicContact CZ2-CE 3.63Å; W310-M314 WeakPolarHBondContact O-CB 3.35Å; W310-M314 PolarHBondContact O-N 2.89Å; D311-M314 PolarHBondContact O-N 3.03Å; M314-S316 VanDerWaalsContact C-N 3.27Å; M314-S316 PolarHBondContact O-N 3.37Å; M314-A317 PolarHBondContact O-N 2.91Å; M314-A317 VanDerWaalsContact O-N 3.1Å; M314-L318 HydrophobicContact CG-CD1 4.1Å; M314-L318 WeakPolarHBondContact O-CG 3.39Å; M314-L318 PolarHBondContact O-N 2.96Å; M314-L318 HydrophobicContact SD-CD1 4.41Å; M314-L318 HydrophobicContact SD-CG 4.37Å; M314-V562 HydrophobicContact CE-CG2 4.22Å; M314-V562 HydrophobicContact SD-CB 4.2Å; M314-V562 HydrophobicContact SD-CG1 4.34Å; M314-V562 HydrophobicContact SD-CG2 3.72Å; M314-E565 HydrophobicContact CE-CB 3.91Å; M314-E565 HydrophobicContact CE-CG 4.16Å; M314-E565 HydrophobicContact CG-CG 3.99Å; M314-E565 HydrophobicContact SD-CB 3.94Å; M314-E565 HydrophobicContact SD-CG 4.06Å
315A89.2Confident88.6Confident55 Ų5535.1 Ų35.146%0.45518%0.184SC..Hα-helixtrans-58.9-40.4174.900000111.9D311 R319D311-A315 VanDerWaalsContact O-CB 3.3Å; D311-A315 WeakPolarHBondContact O-CB 3.12Å; D311-A315 PolarHBondContact O-N 2.98Å; A315-R319 VanDerWaalsContact O-CB 3.27Å; A315-R319 WeakPolarHBondContact O-CB 3.27Å; A315-R319 PolarHBondContact O-N 3.39Å
316S88.2Confident88.8Confident54 Ų5434 Ų3438%0.37818%0.181SC..Hα-helixtrans-66.1-37.1175.5-63.40000112.8A312 L313 M314 R320A312-S316 WeakPolarHBondContact O-CB 3.46Å; A312-S316 PolarHBondContact O-N 3.16Å; A312-S316 PolarHBondContact O-OG 3.46Å; L313-S316 CarbonylContact O-C 3.59Å; L313-S316 WeakPolarHBondContact O-CB 3.28Å; L313-S316 PolarHBondContact O-N 3.21Å; M314-S316 VanDerWaalsContact C-N 3.27Å; M314-S316 PolarHBondContact O-N 3.37Å; S316-R320 WeakPolarHBondContact O-CB 3.46Å; S316-R320 WeakPolarHBondContact O-CD 3.46Å; S316-R320 WeakPolarHBondContact O-CG 3.22Å; S316-R320 PolarHBondContact O-N 3.01Å; S316-R320 VanDerWaalsContact O-N 3.12Å
317A92.4Very high88.7Confident0 Ų036.1 Ų36.10%019%0.191CC..Hα-helixtrans-69.7-49.2177.900000111.3A211 L215 L313 M314 R319 R320 E321 V562A211-A317 HydrophobicContact CB-CB 4.15Å; L215-A317 HydrophobicContact CD1-CB 3.69Å; L313-A317 WeakPolarHBondContact O-CB 3.47Å; L313-A317 PolarHBondContact O-N 3.46Å; M314-A317 PolarHBondContact O-N 2.91Å; M314-A317 VanDerWaalsContact O-N 3.1Å; A317-R319 VanDerWaalsContact C-N 3.32Å; A317-R319 PolarHBondContact O-N 3.48Å; A317-R320 PolarHBondContact O-N 2.94Å; A317-R320 VanDerWaalsContact O-N 3.11Å; A317-E321 PolarHBondContact O-N 3.08Å; A317-V562 HydrophobicContact CB-CG2 4.05Å
318L92.2Very high88.6Confident11 Ų1141 Ų416%0.05821%0.21CC..Hα-helixtrans-57.1-45.2176.1-70.9168.8000111.6M314 R320 E321 D322 V339 V340 V562 R566M314-L318 HydrophobicContact CG-CD1 4.1Å; M314-L318 WeakPolarHBondContact O-CG 3.39Å; M314-L318 PolarHBondContact O-N 2.96Å; M314-L318 HydrophobicContact SD-CD1 4.41Å; M314-L318 HydrophobicContact SD-CG 4.37Å; L318-R320 VanDerWaalsContact C-N 3.35Å; L318-R320 PolarHBondContact O-N 3.16Å; L318-E321 WeakPolarHBondContact O-CB 3.32Å; L318-E321 PolarHBondContact O-N 2.92Å; L318-D322 PolarHBondContact O-N 3.12Å; L318-V339 HydrophobicContact CD1-CG1 4.12Å; L318-V340 HydrophobicContact CB-CG2 3.77Å; L318-V562 HydrophobicContact CD2-CG1 3.64Å; L318-V562 HydrophobicContact CG-CG1 4.24Å; L318-R566 HydrophobicContact CD2-CB 3.93Å; L318-R566 HydrophobicContact CD2-CG 4.19Å
319R89.3Confident88.6Confident75 Ų7541.8 Ų41.828%0.28321%0.211SC..Hα-helixtrans-60.5-42.7175.7-173.8-178.2-162.2145.410112.6A315 A317 E321 D322 I323 M336 V340 D342 S344A315-R319 VanDerWaalsContact O-CB 3.27Å; A315-R319 WeakPolarHBondContact O-CB 3.27Å; A315-R319 PolarHBondContact O-N 3.39Å; A317-R319 VanDerWaalsContact C-N 3.32Å; A317-R319 PolarHBondContact O-N 3.48Å; R319-E321 VanDerWaalsContact C-N 3.34Å; R319-D322 PolarHBondContact O-N 2.95Å; R319-I323 HydrophobicContact CG-CD1 4.16Å; R319-I323 VanDerWaalsContact O-CG1 3.26Å; R319-I323 WeakPolarHBondContact O-CG1 3.36Å; R319-I323 PolarHBondContact O-N 3.48Å; R319-M336 HydrophobicContact CG-SD 4.25Å; R319-V340 HydrophobicContact CB-CG1 4.09Å; R319-V340 HydrophobicContact CG-CG1 4.34Å; R319-D342 IonicContact CZ-OD1 3.84Å; R319-D342 IonicContact NH1-OD1 3.54Å; R319-D342 IonicContact NH2-OD1 2.77Å; R319-D342 PolarHBondContact NH2-OD1 2.94Å; R319-D342 IonicContact NH2-OD2 3.07Å; R319-D342 PolarHBondContact NH2-OD2 2.91Å; R319-S344 PolarHBondContact NH2-OG 3.07Å
320R88.9Confident88.5Confident83 Ų8345.7 Ų45.731%0.31324%0.24SC..Hα-helixtrans-67.5-36.4178.6-75.5171.2-173.9-137-8.5111.7S207 L208 S316 A317 L318 I323 F324S207-R320 VanDerWaalsContact C-NH1 3.31Å; S207-R320 PolarHBondContact O-NH1 3.2Å; S207-R320 PolarHBondContact OG-NH1 3.19Å; L208-R320 HydrophobicContact CD1-CB 3.86Å; S316-R320 WeakPolarHBondContact O-CB 3.46Å; S316-R320 WeakPolarHBondContact O-CD 3.46Å; S316-R320 WeakPolarHBondContact O-CG 3.22Å; S316-R320 PolarHBondContact O-N 3.01Å; S316-R320 VanDerWaalsContact O-N 3.12Å; A317-R320 PolarHBondContact O-N 2.94Å; A317-R320 VanDerWaalsContact O-N 3.11Å; L318-R320 VanDerWaalsContact C-N 3.35Å; L318-R320 PolarHBondContact O-N 3.16Å; R320-I323 PolarHBondContact O-N 3.1Å; R320-F324 WeakPolarHBondContact O-CB 3.4Å; R320-F324 PolarHBondContact O-N 2.84Å
321E89.8Confident88.2Confident28 Ų2851.4 Ų51.413%0.13127%0.267CS..Hα-helixtrans-63.6-44.4173.8-169.1173.5-126.400111L208 Y212 A317 L318 R319 I323 F324 E325 R566L208-E321 HydrophobicContact CD1-CB 4.36Å; Y212-E321 PolarHBondContact OH-OE1 3.37Å; A317-E321 PolarHBondContact O-N 3.08Å; L318-E321 WeakPolarHBondContact O-CB 3.32Å; L318-E321 PolarHBondContact O-N 2.92Å; R319-E321 VanDerWaalsContact C-N 3.34Å; E321-I323 PolarHBondContact O-N 3.4Å; E321-F324 WeakPolarHBondContact O-CB 3.45Å; E321-F324 PolarHBondContact O-N 3.19Å; E321-E325 PolarHBondContact O-N 2.91Å; E321-R566 IonicContact OE2-CZ 3.99Å; E321-R566 IonicContact OE2-NH1 3.16Å; E321-R566 PolarHBondContact OE2-NH1 3.45Å
322D89.6Confident88.1Confident6 Ų653.5 Ų53.53%0.03227%0.268CS..Hα-helixtrans-65.2-37.8176.7-73.6-5.1000113L318 R319 F324 S326 M336 S337 V340 R566L318-D322 PolarHBondContact O-N 3.12Å; R319-D322 PolarHBondContact O-N 2.95Å; D322-F324 VanDerWaalsContact C-N 3.34Å; D322-S326 VanDerWaalsContact O-CB 3.25Å; D322-S326 WeakPolarHBondContact O-CB 3.35Å; D322-S326 PolarHBondContact O-N 3.42Å; D322-S326 PolarHBondContact O-OG 3.27Å; D322-M336 HydrophobicContact CB-CE 3.5Å; D322-M336 HydrophobicContact CB-SD 3.83Å; D322-S337 VanDerWaalsContact OD2-CB 3.26Å; D322-S337 WeakPolarHBondContact OD2-CB 3.3Å; D322-S337 PolarHBondContact OD2-N 2.82Å; D322-S337 PolarHBondContact OD2-OG 3.14Å; D322-V340 VanDerWaalsContact OD2-CG2 3.32Å; D322-V340 WeakPolarHBondContact OD2-CG2 3.4Å; D322-R566 IonicContact OD1-CZ 3.88Å; D322-R566 IonicContact OD1-NH1 3.18Å; D322-R566 PolarHBondContact OD1-NH1 2.84Å; D322-R566 VanDerWaalsContact OD1-NH1 3.16Å; D322-R566 IonicContact OD1-NH2 3.25Å; D322-R566 PolarHBondContact OD1-NH2 2.92Å
323I88.4Confident88Confident25 Ų2555 Ų5513%0.12827%0.272CS..Hα-helixtrans-63.1-44.4173.1-68.5163.8000109.9R319 R320 E321 S326 E327 L334 M336 E359R319-I323 HydrophobicContact CG-CD1 4.16Å; R319-I323 VanDerWaalsContact O-CG1 3.26Å; R319-I323 WeakPolarHBondContact O-CG1 3.36Å; R319-I323 PolarHBondContact O-N 3.48Å; R320-I323 PolarHBondContact O-N 3.1Å; E321-I323 PolarHBondContact O-N 3.4Å; I323-S326 WeakPolarHBondContact O-CB 3.48Å; I323-S326 PolarHBondContact O-N 3.38Å; I323-E327 PolarHBondContact O-N 3.27Å; I323-E327 VanDerWaalsContact O-N 3.17Å; I323-L334 HydrophobicContact CG1-CD1 4.1Å; I323-M336 HydrophobicContact CG1-CE 3.81Å; I323-E359 HydrophobicContact CD1-CG 4.38Å; I323-E359 HydrophobicContact CG2-CB 4.06Å
324F87.6Confident87.6Confident26 Ų2654.2 Ų54.211%0.11427%0.267CS..Hα-helixtrans-63.4-41.6179.5-177.2-98000112.1L208 R320 E321 D322 E327 W636 Y640L208-F324 HydrophobicContact CD2-CB 4.43Å; L208-F324 HydrophobicContact CD2-CG 4.47Å; R320-F324 WeakPolarHBondContact O-CB 3.4Å; R320-F324 PolarHBondContact O-N 2.84Å; E321-F324 WeakPolarHBondContact O-CB 3.45Å; E321-F324 PolarHBondContact O-N 3.19Å; D322-F324 VanDerWaalsContact C-N 3.34Å; F324-E327 PolarHBondContact O-N 3.29Å; F324-W636 HydrophobicContact CE2-CZ2 4.17Å; F324-W636 AromaticContact CZ-CZ2 3.88Å; F324-W636 HydrophobicContact CZ-CZ2 3.88Å; F324-Y640 HydrophobicContact CE2-CE2 4.42Å; F324-Y640 HydrophobicContact CZ-CE2 4.04Å
325E87Confident87.2Confident93 Ų9358 Ų5844%0.43529%0.291SS..Hα-helixtrans-70.3-35.3174.7-69.8-55.7138.300112.4E321 E327 K328E321-E325 PolarHBondContact O-N 2.91Å; E325-E327 PolarHBondContact O-N 2.88Å; E325-K328 WeakPolarHBondContact O-CB 3.49Å; E325-K328 PolarHBondContact O-N 3.09Å; E325-K328 VanDerWaalsContact O-N 3.15Å; E325-K328 IonicContact OE1-NZ 3.79Å; E325-K328 PolarHBondContact OE1-NZ 3.29Å; E325-K328 IonicContact OE2-NZ 3.96Å; E325-K328 PolarHBondContact OE2-NZ 3.46Å
326S87.5Confident86.9Confident5 Ų557.2 Ų57.24%0.03528%0.278CS..Hα-helixtrans-64.4-23.9176.2-68.90000113.8D322 I323 K328 N329 V335 W356D322-S326 VanDerWaalsContact O-CB 3.25Å; D322-S326 WeakPolarHBondContact O-CB 3.35Å; D322-S326 PolarHBondContact O-N 3.42Å; D322-S326 PolarHBondContact O-OG 3.27Å; I323-S326 WeakPolarHBondContact O-CB 3.48Å; I323-S326 PolarHBondContact O-N 3.38Å; S326-K328 PolarHBondContact O-N 2.98Å; S326-N329 VanDerWaalsContact O-CB 3.26Å; S326-N329 WeakPolarHBondContact O-CB 3.18Å; S326-N329 PolarHBondContact O-N 3.07Å; S326-N329 VanDerWaalsContact O-N 3.1Å; S326-V335 PolarHBondContact OG-N 3.13Å; S326-V335 PolarHBondContact OG-O 3.33Å; S326-W356 PolarHBondContact O-NE1 2.89Å
327E86.6Confident86.5Confident48 Ų4855.9 Ų55.922%0.22427%0.269CS..THydrogen-bonded Turntrans-61.1-30.5175.2-176.3170.3-163.200111.9I323 F324 E325 N329 K361I323-E327 PolarHBondContact O-N 3.27Å; I323-E327 VanDerWaalsContact O-N 3.17Å; F324-E327 PolarHBondContact O-N 3.29Å; E325-E327 PolarHBondContact O-N 2.88Å; E327-N329 VanDerWaalsContact C-N 3.28Å; E327-N329 PolarHBondContact O-N 3.04Å; E327-K361 IonicContact OE1-NZ 3.86Å; E327-K361 PolarHBondContact OE1-NZ 2.88Å
328K86.2Confident85.7Confident129 Ų12959.7 Ų59.756%0.56130%0.295SS*.THydrogen-bonded Turntrans-79.7-10.4178.9-54.4174.7-162.9156.30112.8E325 S326 P330E325-K328 WeakPolarHBondContact O-CB 3.49Å; E325-K328 PolarHBondContact O-N 3.09Å; E325-K328 VanDerWaalsContact O-N 3.15Å; E325-K328 IonicContact OE1-NZ 3.79Å; E325-K328 PolarHBondContact OE1-NZ 3.29Å; E325-K328 IonicContact OE2-NZ 3.96Å; E325-K328 PolarHBondContact OE2-NZ 3.46Å; S326-K328 PolarHBondContact O-N 2.98Å; K328-P330 WeakPolarHBondContact O-CD 3.43Å
329N83.2Confident85Confident34 Ų3460.5 Ų60.518%0.18230%0.301CS..  trans-69.1119.8-177.5-175.7-0.1000110.8S326 E327 Q331 R332 E333 V335S326-N329 VanDerWaalsContact O-CB 3.26Å; S326-N329 WeakPolarHBondContact O-CB 3.18Å; S326-N329 PolarHBondContact O-N 3.07Å; S326-N329 VanDerWaalsContact O-N 3.1Å; E327-N329 VanDerWaalsContact C-N 3.28Å; E327-N329 PolarHBondContact O-N 3.04Å; N329-Q331 PolarHBondContact O-N 2.89Å; N329-Q331 PolarHBondContact OD1-N 3Å; N329-Q331 VanDerWaalsContact OD1-N 3.14Å; N329-R332 PolarHBondContact O-N 2.75Å; N329-R332 VanDerWaalsContact O-N 3.11Å; N329-E333 PolarHBondContact ND2-O 2.72Å; N329-E333 VanDerWaalsContact ND2-O 3.13Å; N329-V335 WeakPolarHBondContact ND2-CG2 3.37Å
330P84Confident84.3Confident118 Ų11857.9 Ų57.977%0.76629%0.293SS*.THydrogen-bonded Turntrans-62.4-26.6-179.324.8-35.4000113.5K328 R332K328-P330 WeakPolarHBondContact O-CD 3.43Å; P330-R332 PolarHBondContact O-N 3.38Å
331Q85.5Confident83.4Confident135 Ų13559.1 Ų59.163%0.63131%0.309SS*.THydrogen-bonded Turntrans-75.1-8.7-179.8-67176.2-2100113.3N329 E333N329-Q331 PolarHBondContact O-N 2.89Å; N329-Q331 PolarHBondContact OD1-N 3Å; N329-Q331 VanDerWaalsContact OD1-N 3.14Å; Q331-E333 PolarHBondContact O-N 3Å
332R85.1Confident82.2Confident133 Ų13359.5 Ų59.550%0.50231%0.313SS..  trans54.437.7-177.8-55-178.8-174.11763.4112.7N329 P330 W356 Y357N329-R332 PolarHBondContact O-N 2.75Å; N329-R332 VanDerWaalsContact O-N 3.11Å; P330-R332 PolarHBondContact O-N 3.38Å; R332-W356 HydrophobicContact CB-CD2 3.86Å; R332-W356 HydrophobicContact CB-CE3 3.75Å; R332-W356 HydrophobicContact CB-CH2 4.07Å; R332-W356 HydrophobicContact CB-CZ2 4.16Å; R332-W356 HydrophobicContact CB-CZ3 3.86Å; R332-W356 HydrophobicContact CG-CE3 4.32Å; R332-W356 HydrophobicContact CG-CH2 3.76Å; R332-W356 HydrophobicContact CG-CZ2 4.01Å; R332-W356 HydrophobicContact CG-CZ3 3.92Å; R332-W356 WeakPolarHBondContact O-CB 3.33Å; R332-Y357 PolarHBondContact NH1-OH 2.65Å; R332-Y357 VanDerWaalsContact NH1-OH 3.14Å
333E84.7Confident81.1Confident56 Ų5669.9 Ų69.926%0.26235%0.351SS..  trans-113.2134176.1-75.2177.4-170.800108.5N329 Q331 V335 R353N329-E333 PolarHBondContact ND2-O 2.72Å; N329-E333 VanDerWaalsContact ND2-O 3.13Å; Q331-E333 PolarHBondContact O-N 3Å; E333-V335 PolarHBondContact O-N 3.36Å; E333-R353 HydrophobicContact CG-CG 3.6Å; E333-R353 IonicContact OE1-CZ 3.72Å; E333-R353 VanDerWaalsContact OE1-CZ 3.3Å; E333-R353 IonicContact OE1-NE 2.78Å; E333-R353 PolarHBondContact OE1-NE 3.11Å; E333-R353 IonicContact OE1-NH2 3.96Å; E333-R353 PolarHBondContact OE1-NH2 3.38Å
334L82.7Confident79.9Confident18 Ų1870 Ų709%0.09435%0.354CS..  trans-73.2113.2178.8-172.967.9000109I323 M336 P352 R355 W356I323-L334 HydrophobicContact CG1-CD1 4.1Å; L334-M336 HydrophobicContact CD1-CE 3.57Å; L334-M336 HydrophobicContact CD2-CE 4.13Å; L334-M336 HydrophobicContact CG-CE 3.66Å; L334-P352 PolarHBondContact N-O 2.77Å; L334-R355 HydrophobicContact CD2-CB 3.85Å; L334-W356 HydrophobicContact CB-CB 4.14Å
335V82.6Confident78.8Confident86 Ų8676.3 Ų76.352%0.52138%0.382SS..  trans-106107.7179.9-178.20000108.2S326 N329 E333S326-V335 PolarHBondContact OG-N 3.13Å; S326-V335 PolarHBondContact OG-O 3.33Å; N329-V335 WeakPolarHBondContact ND2-CG2 3.37Å; E333-V335 PolarHBondContact O-N 3.36Å
336M82.7Confident77.7Confident39 Ų3974.2 Ų74.219%0.19238%0.378CS..  trans-90.6138.8170.9-65.3-67.8101.600109R319 D322 I323 L334R319-M336 HydrophobicContact CG-SD 4.25Å; D322-M336 HydrophobicContact CB-CE 3.5Å; D322-M336 HydrophobicContact CB-SD 3.83Å; I323-M336 HydrophobicContact CG1-CE 3.81Å; L334-M336 HydrophobicContact CD1-CE 3.57Å; L334-M336 HydrophobicContact CD2-CE 4.13Å; L334-M336 HydrophobicContact CG-CE 3.66Å
337S80.7Confident76.7Confident25 Ų2575.5 Ų75.518%0.17539%0.388CS..  trans-68.4153.8173.465.50000111D322 V339 V340 R566D322-S337 VanDerWaalsContact OD2-CB 3.26Å; D322-S337 WeakPolarHBondContact OD2-CB 3.3Å; D322-S337 PolarHBondContact OD2-N 2.82Å; D322-S337 PolarHBondContact OD2-OG 3.14Å; S337-V339 PolarHBondContact O-N 2.81Å; S337-V339 VanDerWaalsContact O-N 3.08Å; S337-V340 PolarHBondContact O-N 3.48Å; S337-R566 PolarHBondContact OG-NH2 3.38Å
338S76.5Confident75.8Confident81 Ų8180.4 Ų80.457%0.56642%0.415SS*.THydrogen-bonded Turntrans-60.2-19.4177.553.30000113.8V340 L573S338-V340 VanDerWaalsContact C-N 3.31Å; S338-L573 WeakPolarHBondContact OG-CD1 3.24Å
339V76.5Confident75.2Confident27 Ų2779.4 Ų79.416%0.16442%0.416CS..THydrogen-bonded Turntrans-69.7-31175.4179.30000111.1L318 S337 V341 A569 L573L318-V339 HydrophobicContact CD1-CG1 4.12Å; S337-V339 PolarHBondContact O-N 2.81Å; S337-V339 VanDerWaalsContact O-N 3.08Å; V339-V341 PolarHBondContact O-N 3.32Å; V339-A569 HydrophobicContact CB-CB 4.46Å; V339-A569 HydrophobicContact CG1-CB 3.6Å; V339-A569 HydrophobicContact CG2-CB 4.05Å; V339-L573 HydrophobicContact CG2-CD1 3.99Å
340V75.8Confident74.9Confident20 Ų2080.2 Ų80.212%0.12142%0.423CS..SBendtrans-92.6105.7-177.4-179.30000109.9L318 R319 D322 S337 S338 D342L318-V340 HydrophobicContact CB-CG2 3.77Å; R319-V340 HydrophobicContact CB-CG1 4.09Å; R319-V340 HydrophobicContact CG-CG1 4.34Å; D322-V340 VanDerWaalsContact OD2-CG2 3.32Å; D322-V340 WeakPolarHBondContact OD2-CG2 3.4Å; S337-V340 PolarHBondContact O-N 3.48Å; S338-V340 VanDerWaalsContact C-N 3.31Å; V340-D342 PolarHBondContact O-N 2.84Å; V340-D342 VanDerWaalsContact O-N 3.08Å
341V69.3Low74.9Confident109 Ų10977.2 Ų77.266%0.66141%0.405SS*.  trans-76.896.4171.6-1740000109.3V339 R343V339-V341 PolarHBondContact O-N 3.32Å; V341-R343 HydrophobicContact CG1-CG 3.93Å; V341-R343 PolarHBondContact O-N 2.96Å
342D65Low74.8Confident37 Ų3773.6 Ų73.620%0.19839%0.393CS..  trans-74.295.5176.4-169.1-6.1000111.2R319 V340 S344 A347 R355R319-D342 IonicContact CZ-OD1 3.84Å; R319-D342 IonicContact NH1-OD1 3.54Å; R319-D342 IonicContact NH2-OD1 2.77Å; R319-D342 PolarHBondContact NH2-OD1 2.94Å; R319-D342 IonicContact NH2-OD2 3.07Å; R319-D342 PolarHBondContact NH2-OD2 2.91Å; V340-D342 PolarHBondContact O-N 2.84Å; V340-D342 VanDerWaalsContact O-N 3.08Å; D342-S344 VanDerWaalsContact C-N 3.32Å; D342-S344 WeakPolarHBondContact OD1-CB 3.21Å; D342-S344 PolarHBondContact OD1-N 2.89Å; D342-S344 PolarHBondContact OD1-OG 3.32Å; D342-S344 PolarHBondContact OD2-OG 3.23Å; D342-A347 HydrophobicContact CB-CB 4.46Å; D342-R355 IonicContact OD2-NH1 3.95Å; D342-R355 PolarHBondContact OD2-NH1 3.43Å
343R64.9Low74.8Confident224 Ų22474.3 Ų74.385%0.84540%0.396SS*.  trans-89.512.5172.8-60.3-170.1179.9-173.30.8113.9V341V341-R343 HydrophobicContact CG1-CG 3.93Å; V341-R343 PolarHBondContact O-N 2.96Å
344S64Low74.9Confident26 Ų2676.3 Ų76.318%0.18241%0.407CS..  trans-68.5137.9-178.165.30000111.2R319 D342 S346 A347R319-S344 PolarHBondContact NH2-OG 3.07Å; D342-S344 VanDerWaalsContact C-N 3.32Å; D342-S344 WeakPolarHBondContact OD1-CB 3.21Å; D342-S344 PolarHBondContact OD1-N 2.89Å; D342-S344 PolarHBondContact OD1-OG 3.32Å; D342-S344 PolarHBondContact OD2-OG 3.23Å; S344-S346 WeakPolarHBondContact CB-OG 3.36Å; S344-S346 PolarHBondContact O-N 3.03Å; S344-S346 PolarHBondContact OG-OG 3.36Å; S344-S346 VanDerWaalsContact OG-OG 3.07Å; S344-A347 VanDerWaalsContact O-CB 3.3Å; S344-A347 WeakPolarHBondContact O-CB 3.38Å; S344-A347 PolarHBondContact O-N 3.19Å; S344-A347 WeakPolarHBondContact OG-CB 3.45Å; S344-A347 PolarHBondContact OG-N 3.15Å
345F63.9Low75.1Confident159 Ų15977.3 Ų77.370%0.69741%0.41SS*.Hα-helixtrans-56.5-32.5173.2-172-109.4000111.6A347 L348 L349F345-A347 VanDerWaalsContact C-N 3.28Å; F345-A347 PolarHBondContact O-N 3.39Å; F345-L348 PolarHBondContact O-N 3.23Å; F345-L348 VanDerWaalsContact O-N 3.15Å; F345-L349 HydrophobicContact CD1-CD1 3.6Å; F345-L349 HydrophobicContact CD2-CD1 3.81Å; F345-L349 HydrophobicContact CE1-CD1 3.3Å; F345-L349 HydrophobicContact CE1-CD2 4.01Å; F345-L349 HydrophobicContact CE1-CG 4.29Å; F345-L349 HydrophobicContact CE2-CD1 3.52Å; F345-L349 HydrophobicContact CG-CD1 3.86Å; F345-L349 HydrophobicContact CZ-CD1 3.26Å; F345-L349 HydrophobicContact CZ-CD2 4.1Å; F345-L349 HydrophobicContact CZ-CG 4.33Å; F345-L349 VanDerWaalsContact O-CD1 3.25Å; F345-L349 WeakPolarHBondContact O-CD1 3.01Å; F345-L349 PolarHBondContact O-N 2.94Å
346S63.7Low75.4Confident50 Ų5073.8 Ų73.835%0.3539%0.387SS..Hα-helixtrans-64.2-29174.255.70000113.3S344 L348 C350S344-S346 WeakPolarHBondContact CB-OG 3.36Å; S344-S346 PolarHBondContact O-N 3.03Å; S344-S346 PolarHBondContact OG-OG 3.36Å; S344-S346 VanDerWaalsContact OG-OG 3.07Å; S346-L348 VanDerWaalsContact C-N 3.25Å; S346-L348 PolarHBondContact O-N 3.5Å; S346-C350 WeakPolarHBondContact O-CA 3.22Å; S346-C350 VanDerWaalsContact O-CB 3.27Å; S346-C350 WeakPolarHBondContact O-CB 3.06Å; S346-C350 PolarHBondContact O-N 3.43Å
347A66.5Low75.7Confident31 Ų3177.2 Ų77.226%0.25640%0.399SS..Hα-helixtrans-66.9-27.8174.500000113.1D342 S344 F345D342-A347 HydrophobicContact CB-CB 4.46Å; S344-A347 VanDerWaalsContact O-CB 3.3Å; S344-A347 WeakPolarHBondContact O-CB 3.38Å; S344-A347 PolarHBondContact O-N 3.19Å; S344-A347 WeakPolarHBondContact OG-CB 3.45Å; S344-A347 PolarHBondContact OG-N 3.15Å; F345-A347 VanDerWaalsContact C-N 3.28Å; F345-A347 PolarHBondContact O-N 3.39Å
348L68.9Low76.2Confident151 Ų15181.7 Ų81.779%0.79141%0.412SS*.Hα-helixtrans-84.2-37.7-179.2-160.3105.5000112.3F345 S346F345-L348 PolarHBondContact O-N 3.23Å; F345-L348 VanDerWaalsContact O-N 3.15Å; S346-L348 VanDerWaalsContact C-N 3.25Å; S346-L348 PolarHBondContact O-N 3.5Å
349L74Confident76.8Confident109 Ų10979.9 Ų79.957%0.57139%0.394SS*.Hα-helixtrans-95.6-31.3-176.6-74.391.8000114.5F345F345-L349 HydrophobicContact CD1-CD1 3.6Å; F345-L349 HydrophobicContact CD2-CD1 3.81Å; F345-L349 HydrophobicContact CE1-CD1 3.3Å; F345-L349 HydrophobicContact CE1-CD2 4.01Å; F345-L349 HydrophobicContact CE1-CG 4.29Å; F345-L349 HydrophobicContact CE2-CD1 3.52Å; F345-L349 HydrophobicContact CG-CD1 3.86Å; F345-L349 HydrophobicContact CZ-CD1 3.26Å; F345-L349 HydrophobicContact CZ-CD2 4.1Å; F345-L349 HydrophobicContact CZ-CG 4.33Å; F345-L349 VanDerWaalsContact O-CD1 3.25Å; F345-L349 WeakPolarHBondContact O-CD1 3.01Å; F345-L349 PolarHBondContact O-N 2.94Å
350C76.9Confident77.3Confident50 Ų5079 Ų7934%0.33839%0.39SS..SBendtrans-103.8135.3-172.1-68.20000112S346 I354 R355S346-C350 WeakPolarHBondContact O-CA 3.22Å; S346-C350 VanDerWaalsContact O-CB 3.27Å; S346-C350 WeakPolarHBondContact O-CB 3.06Å; S346-C350 PolarHBondContact O-N 3.43Å; C350-I354 HydrophobicContact CB-CG2 4.4Å; C350-R355 HydrophobicContact CB-CG 3.93Å; C350-R355 PolarHBondContact O-NE 3.34Å
351S83.9Confident77.8Confident55 Ų5581.1 Ų81.139%0.38540%0.397SS..  trans-59.5150.1174.5740000111.3R353 I354 R355S351-R353 PolarHBondContact O-N 3.24Å; S351-R353 VanDerWaalsContact O-N 3.12Å; S351-I354 PolarHBondContact O-N 3.49Å; S351-I354 VanDerWaalsContact O-N 3.09Å; S351-I354 WeakPolarHBondContact OG-CD1 3.38Å; S351-I354 WeakPolarHBondContact OG-CG1 3.4Å; S351-R355 PolarHBondContact O-N 3.28Å; S351-R355 VanDerWaalsContact O-N 3.17Å
352P82.7Confident78.9Confident59 Ų5980.2 Ų80.238%0.38339%0.388SS..Hα-helixtrans-54.7-31.8-179.7-26.734.3000114.1L334 W356L334-P352 PolarHBondContact N-O 2.77Å; P352-W356 PolarHBondContact O-N 2.9Å
353R84.8Confident80.2Confident148 Ų14882.2 Ų82.256%0.55839%0.393SS*.Hα-helixtrans-68-44.5176.8-66.6-177-175.41741.9112.6E333 S351 R355 W356 Y357E333-R353 HydrophobicContact CG-CG 3.6Å; E333-R353 IonicContact OE1-CZ 3.72Å; E333-R353 VanDerWaalsContact OE1-CZ 3.3Å; E333-R353 IonicContact OE1-NE 2.78Å; E333-R353 PolarHBondContact OE1-NE 3.11Å; E333-R353 IonicContact OE1-NH2 3.96Å; E333-R353 PolarHBondContact OE1-NH2 3.38Å; S351-R353 PolarHBondContact O-N 3.24Å; S351-R353 VanDerWaalsContact O-N 3.12Å; R353-R355 VanDerWaalsContact C-N 3.29Å; R353-R355 PolarHBondContact O-N 2.9Å; R353-W356 WeakPolarHBondContact O-CB 3.47Å; R353-W356 PolarHBondContact O-N 3.05Å; R353-Y357 WeakPolarHBondContact O-CD2 3.28Å; R353-Y357 PolarHBondContact O-N 2.94Å
354I86.8Confident81.6Confident98 Ų9873.9 Ų73.950%0.50336%0.361SS..Hα-helixtrans-62.8-42.8178.1-66.2168.9000109.5C350 S351 W356 Y357 W358C350-I354 HydrophobicContact CB-CG2 4.4Å; S351-I354 PolarHBondContact O-N 3.49Å; S351-I354 VanDerWaalsContact O-N 3.09Å; S351-I354 WeakPolarHBondContact OG-CD1 3.38Å; S351-I354 WeakPolarHBondContact OG-CG1 3.4Å; I354-W356 VanDerWaalsContact C-N 3.32Å; I354-W356 PolarHBondContact O-N 2.88Å; I354-Y357 PolarHBondContact O-N 3.16Å; I354-W358 WeakPolarHBondContact O-CB 3.47Å; I354-W358 PolarHBondContact O-N 3.28Å
355R86.3Confident83Confident39 Ų3978.6 Ų78.615%0.14738%0.376CS..Hα-helixtrans-61.7-39.6175.3-69.4-168.6-75.3149.9-0.5112.3L334 D342 C350 S351 R353 W358 E359L334-R355 HydrophobicContact CD2-CB 3.85Å; D342-R355 IonicContact OD2-NH1 3.95Å; D342-R355 PolarHBondContact OD2-NH1 3.43Å; C350-R355 HydrophobicContact CB-CG 3.93Å; C350-R355 PolarHBondContact O-NE 3.34Å; S351-R355 PolarHBondContact O-N 3.28Å; S351-R355 VanDerWaalsContact O-N 3.17Å; R353-R355 VanDerWaalsContact C-N 3.29Å; R353-R355 PolarHBondContact O-N 2.9Å; R355-W358 PolarHBondContact O-N 3.5Å; R355-E359 WeakPolarHBondContact O-CB 3.36Å; R355-E359 PolarHBondContact O-N 2.84Å
356W89.1Confident84.5Confident12 Ų1273.4 Ų73.45%0.04536%0.357CS..Hα-helixtrans-60.8-49.4174.4-173.394.1000111.8S326 R332 L334 P352 R353 I354 W358 C360 K361S326-W356 PolarHBondContact O-NE1 2.89Å; R332-W356 HydrophobicContact CB-CD2 3.86Å; R332-W356 HydrophobicContact CB-CE3 3.75Å; R332-W356 HydrophobicContact CB-CH2 4.07Å; R332-W356 HydrophobicContact CB-CZ2 4.16Å; R332-W356 HydrophobicContact CB-CZ3 3.86Å; R332-W356 HydrophobicContact CG-CE3 4.32Å; R332-W356 HydrophobicContact CG-CH2 3.76Å; R332-W356 HydrophobicContact CG-CZ2 4.01Å; R332-W356 HydrophobicContact CG-CZ3 3.92Å; R332-W356 WeakPolarHBondContact O-CB 3.33Å; L334-W356 HydrophobicContact CB-CB 4.14Å; P352-W356 PolarHBondContact O-N 2.9Å; R353-W356 WeakPolarHBondContact O-CB 3.47Å; R353-W356 PolarHBondContact O-N 3.05Å; I354-W356 VanDerWaalsContact C-N 3.32Å; I354-W356 PolarHBondContact O-N 2.88Å; W356-W358 VanDerWaalsContact C-N 3.33Å; W356-W358 PolarHBondContact O-N 3.11Å; W356-C360 HydrophobicContact CD2-CB 4.41Å; W356-C360 WeakPolarHBondContact O-CB 3.48Å; W356-C360 PolarHBondContact O-N 3.47Å; W356-C360 PolarHBondContact O-SG 2.89Å; W356-K361 HydrophobicContact CH2-CG 4.36Å; W356-K361 HydrophobicContact CZ3-CG 4.2Å
357Y90.3Very high86.1Confident112 Ų11272.7 Ų72.744%0.43935%0.349SS..Iπ-helixtrans-61.8-40.4176.9-83.3-73.5000112.2R332 R353 I354 K361 L362R332-Y357 PolarHBondContact NH1-OH 2.65Å; R332-Y357 VanDerWaalsContact NH1-OH 3.14Å; R353-Y357 WeakPolarHBondContact O-CD2 3.28Å; R353-Y357 PolarHBondContact O-N 2.94Å; I354-Y357 PolarHBondContact O-N 3.16Å; Y357-K361 PolarHBondContact O-N 3.24Å; Y357-L362 PolarHBondContact O-N 3.03Å
358W90.7Very high87.5Confident118 Ų11875 Ų7545%0.44735%0.352SS..Iπ-helixtrans-61.9-61175.9174.5-105.4000111.7I354 R355 W356 L362 R363 V366I354-W358 WeakPolarHBondContact O-CB 3.47Å; I354-W358 PolarHBondContact O-N 3.28Å; R355-W358 PolarHBondContact O-N 3.5Å; W356-W358 VanDerWaalsContact C-N 3.33Å; W356-W358 PolarHBondContact O-N 3.11Å; W358-L362 HydrophobicContact CE3-CB 4.33Å; W358-L362 HydrophobicContact CE3-CD2 3.83Å; W358-L362 HydrophobicContact CE3-CG 4.09Å; W358-L362 HydrophobicContact CZ3-CD2 4.05Å; W358-L362 HydrophobicContact CZ3-CG 4.2Å; W358-L362 PolarHBondContact O-N 3.44Å; W358-R363 WeakPolarHBondContact O-CB 3.41Å; W358-R363 PolarHBondContact O-N 2.9Å; W358-V366 HydrophobicContact CH2-CG2 4.48Å; W358-V366 HydrophobicContact CZ3-CG2 4.27Å
359E88Confident88.9Confident43 Ų4370.8 Ų70.820%0.20134%0.338CS..Iπ-helixtrans-70.1-41.9-172.1-68.6-63.416500112.9I323 R355 R363I323-E359 HydrophobicContact CD1-CG 4.38Å; I323-E359 HydrophobicContact CG2-CB 4.06Å; R355-E359 WeakPolarHBondContact O-CB 3.36Å; R355-E359 PolarHBondContact O-N 2.84Å; E359-R363 WeakPolarHBondContact OE2-CD 3.24Å; E359-R363 IonicContact OE2-CZ 3.16Å; E359-R363 IonicContact OE2-NE 3.75Å; E359-R363 IonicContact OE2-NH1 3.64Å; E359-R363 PolarHBondContact OE2-NH1 3.32Å
360C87Confident90Very high10 Ų1069 Ų697%0.06833%0.328CS..Iπ-helixtrans-87.8-28.3-172.3-54.60000113.2W356W356-C360 HydrophobicContact CD2-CB 4.41Å; W356-C360 WeakPolarHBondContact O-CB 3.48Å; W356-C360 PolarHBondContact O-N 3.47Å; W356-C360 PolarHBondContact O-SG 2.89Å
361K88.2Confident91Very high64 Ų6466.7 Ų66.728%0.27831%0.313SS..Iπ-helixtrans-125.7-46.4-171.9-62.9-60.6178.4-157.10115.4E327 W356 Y357 R364 Y365E327-K361 IonicContact OE1-NZ 3.86Å; E327-K361 PolarHBondContact OE1-NZ 2.88Å; W356-K361 HydrophobicContact CH2-CG 4.36Å; W356-K361 HydrophobicContact CZ3-CG 4.2Å; Y357-K361 PolarHBondContact O-N 3.24Å; K361-R364 WeakPolarHBondContact O-CG 3.33Å; K361-R364 PolarHBondContact O-NE 3.45Å; K361-R364 VanDerWaalsContact O-NE 3.13Å; K361-Y365 WeakPolarHBondContact O-CD2 3.39Å; K361-Y365 WeakPolarHBondContact O-CE2 3.18Å
362L91.4Very high91.7Very high89 Ų8968.4 Ų68.447%0.46632%0.317SS..Iπ-helixtrans-80.9-41-172.7-17755.1000112.3Y357 W358 R364 Y365 V366Y357-L362 PolarHBondContact O-N 3.03Å; W358-L362 HydrophobicContact CE3-CB 4.33Å; W358-L362 HydrophobicContact CE3-CD2 3.83Å; W358-L362 HydrophobicContact CE3-CG 4.09Å; W358-L362 HydrophobicContact CZ3-CD2 4.05Å; W358-L362 HydrophobicContact CZ3-CG 4.2Å; W358-L362 PolarHBondContact O-N 3.44Å; L362-R364 VanDerWaalsContact C-N 3.28Å; L362-R364 PolarHBondContact O-N 3.28Å; L362-Y365 PolarHBondContact O-N 2.91Å; L362-V366 HydrophobicContact CD1-CG2 4.11Å; L362-V366 HydrophobicContact CG-CG2 4.05Å; L362-V366 PolarHBondContact O-N 3.03Å
363R92.4Very high92.4Very high79 Ų7970.7 Ų70.730%0.29832%0.321SS..Hα-helixtrans-51.5-42.8-177.8175.8177.7175-179-1.8113.2W358 E359 Y365 V366 L367W358-R363 WeakPolarHBondContact O-CB 3.41Å; W358-R363 PolarHBondContact O-N 2.9Å; E359-R363 WeakPolarHBondContact OE2-CD 3.24Å; E359-R363 IonicContact OE2-CZ 3.16Å; E359-R363 IonicContact OE2-NE 3.75Å; E359-R363 IonicContact OE2-NH1 3.64Å; E359-R363 PolarHBondContact OE2-NH1 3.32Å; R363-Y365 VanDerWaalsContact C-N 3.35Å; R363-Y365 PolarHBondContact O-N 2.91Å; R363-V366 PolarHBondContact O-N 3.26Å; R363-L367 HydrophobicContact CG-CD1 3.94Å; R363-L367 HydrophobicContact CG-CG 4.36Å; R363-L367 WeakPolarHBondContact O-CB 3.27Å; R363-L367 VanDerWaalsContact O-CG 3.31Å; R363-L367 WeakPolarHBondContact O-CG 3.23Å; R363-L367 PolarHBondContact O-N 3.29Å
364R93.2Very high93Very high50 Ų5064.8 Ų64.819%0.18930%0.3CS..Hα-helixtrans-59.6-42.4177.160.4-176.6-174.8-1797.5112.5K361 L362 R368K361-R364 WeakPolarHBondContact O-CG 3.33Å; K361-R364 PolarHBondContact O-NE 3.45Å; K361-R364 VanDerWaalsContact O-NE 3.13Å; L362-R364 VanDerWaalsContact C-N 3.28Å; L362-R364 PolarHBondContact O-N 3.28Å; R364-R368 VanDerWaalsContact O-CG 3.29Å; R364-R368 WeakPolarHBondContact O-CG 3.49Å; R364-R368 PolarHBondContact O-N 2.95Å
365Y94.8Very high93.5Very high125 Ų12563.9 Ų63.949%0.4930%0.301SS..Hα-helixtrans-72.6-39.7-179.3-63.7-67.2000111.2K361 L362 R363 R368 A369K361-Y365 WeakPolarHBondContact O-CD2 3.39Å; K361-Y365 WeakPolarHBondContact O-CE2 3.18Å; L362-Y365 PolarHBondContact O-N 2.91Å; R363-Y365 VanDerWaalsContact C-N 3.35Å; R363-Y365 PolarHBondContact O-N 2.91Å; Y365-R368 PolarHBondContact O-N 2.78Å; Y365-A369 PolarHBondContact O-N 3.19Å
366V95.9Very high94.1Very high49 Ų4967.2 Ų67.230%0.29732%0.321SS..Hα-helixtrans-60.5-48.2174.61750000110.7W358 L362 R363 R368 A369 I370W358-V366 HydrophobicContact CH2-CG2 4.48Å; W358-V366 HydrophobicContact CZ3-CG2 4.27Å; L362-V366 HydrophobicContact CD1-CG2 4.11Å; L362-V366 HydrophobicContact CG-CG2 4.05Å; L362-V366 PolarHBondContact O-N 3.03Å; R363-V366 PolarHBondContact O-N 3.26Å; V366-R368 VanDerWaalsContact C-N 3.33Å; V366-R368 PolarHBondContact O-N 2.88Å; V366-A369 PolarHBondContact O-N 3.27Å; V366-I370 HydrophobicContact CG1-CD1 3.82Å; V366-I370 HydrophobicContact CG1-CG1 4.47Å; V366-I370 VanDerWaalsContact O-CG1 3.3Å; V366-I370 WeakPolarHBondContact O-CG1 3.35Å; V366-I370 PolarHBondContact O-N 3.47Å
367L95.7Very high94.5Very high36 Ų3667.4 Ų67.419%0.18832%0.323CS..Hα-helixtrans-61.7-39177.1-71.6174.2000112.3V198 R363 I370 A371V198-L367 HydrophobicContact CG1-CB 4.49Å; V198-L367 HydrophobicContact CG1-CD2 4.13Å; V198-L367 WeakPolarHBondContact CG1-O 3.23Å; R363-L367 HydrophobicContact CG-CD1 3.94Å; R363-L367 HydrophobicContact CG-CG 4.36Å; R363-L367 WeakPolarHBondContact O-CB 3.27Å; R363-L367 VanDerWaalsContact O-CG 3.31Å; R363-L367 WeakPolarHBondContact O-CG 3.23Å; R363-L367 PolarHBondContact O-N 3.29Å; L367-I370 PolarHBondContact O-N 3.06Å; L367-A371 VanDerWaalsContact O-CB 3.28Å; L367-A371 WeakPolarHBondContact O-CB 3.41Å; L367-A371 PolarHBondContact O-N 3.28Å
368R97.1Very high94.8Very high80 Ų8063 Ų6330%0.30231%0.307SS..Hα-helixtrans-63.8-44.6174.5-74177.1-173.8-171.83.3112.1W199 S202 R364 Y365 V366 A371 I372W199-R368 HydrophobicContact CE3-CG 4.27Å; W199-R368 HydrophobicContact CH2-CG 4.39Å; W199-R368 HydrophobicContact CZ3-CB 4.1Å; W199-R368 HydrophobicContact CZ3-CG 4Å; S202-R368 VanDerWaalsContact OG-CG 3.26Å; S202-R368 WeakPolarHBondContact OG-CG 3.26Å; R364-R368 VanDerWaalsContact O-CG 3.29Å; R364-R368 WeakPolarHBondContact O-CG 3.49Å; R364-R368 PolarHBondContact O-N 2.95Å; Y365-R368 PolarHBondContact O-N 2.78Å; V366-R368 VanDerWaalsContact C-N 3.33Å; V366-R368 PolarHBondContact O-N 2.88Å; R368-A371 PolarHBondContact O-N 2.88Å; R368-I372 VanDerWaalsContact O-CG1 3.24Å; R368-I372 WeakPolarHBondContact O-CG1 3.39Å; R368-I372 PolarHBondContact O-N 3.34Å
369A97.6Very high95.1Very high61 Ų6159.3 Ų59.350%0.50431%0.306SS..Hα-helixtrans-61.2-45.3177.400000111.6Y365 V366 A371 I372 F373Y365-A369 PolarHBondContact O-N 3.19Å; V366-A369 PolarHBondContact O-N 3.27Å; A369-A371 PolarHBondContact O-N 3.15Å; A369-I372 PolarHBondContact O-N 3.42Å; A369-F373 PolarHBondContact O-N 3.24Å
370I97.4Very high95.4Very high71 Ų7158.3 Ų58.336%0.36430%0.301SS..Hα-helixtrans-61.8-44.4175.6-65.1169.3000110.7V198 V366 L367 I372 F373 M374V198-I370 HydrophobicContact CG1-CB 4.41Å; V198-I370 HydrophobicContact CG1-CG2 4.18Å; V366-I370 HydrophobicContact CG1-CD1 3.82Å; V366-I370 HydrophobicContact CG1-CG1 4.47Å; V366-I370 VanDerWaalsContact O-CG1 3.3Å; V366-I370 WeakPolarHBondContact O-CG1 3.35Å; V366-I370 PolarHBondContact O-N 3.47Å; L367-I370 PolarHBondContact O-N 3.06Å; I370-I372 PolarHBondContact O-N 3.04Å; I370-F373 PolarHBondContact O-N 2.84Å; I370-M374 HydrophobicContact CG2-CE 3.68Å; I370-M374 HydrophobicContact CG2-CG 4.38Å; I370-M374 HydrophobicContact CG2-SD 3.91Å; I370-M374 WeakPolarHBondContact O-CB 3.26Å; I370-M374 VanDerWaalsContact O-CG 3.31Å; I370-M374 WeakPolarHBondContact O-CG 3.38Å; I370-M374 PolarHBondContact O-N 3.11Å
371A97.5Very high95.9Very high3 Ų357.8 Ų57.83%0.02530%0.298CS..Hα-helixtrans-63.9-39.3178.400000112.7V198 W199 L367 R368 A369 M374 C375V198-A371 HydrophobicContact CB-CB 4.16Å; V198-A371 HydrophobicContact CG1-CB 3.9Å; W199-A371 HydrophobicContact CB-CB 3.92Å; W199-A371 HydrophobicContact CE3-CB 3.91Å; L367-A371 VanDerWaalsContact O-CB 3.28Å; L367-A371 WeakPolarHBondContact O-CB 3.41Å; L367-A371 PolarHBondContact O-N 3.28Å; R368-A371 PolarHBondContact O-N 2.88Å; A369-A371 PolarHBondContact O-N 3.15Å; A371-M374 PolarHBondContact O-N 3.19Å; A371-C375 WeakPolarHBondContact O-CB 3.43Å; A371-C375 PolarHBondContact O-N 3.1Å
372I98.1Very high96.1Very high90 Ų9056.2 Ų56.246%0.46229%0.293SS..Hα-helixtrans-63.4-47.3174.9-69.3163.2000110W199 R368 A369 I370 M374 C375 I376W199-I372 HydrophobicContact CZ3-CD1 4.24Å; W199-I372 HydrophobicContact CZ3-CG1 3.97Å; R368-I372 VanDerWaalsContact O-CG1 3.24Å; R368-I372 WeakPolarHBondContact O-CG1 3.39Å; R368-I372 PolarHBondContact O-N 3.34Å; A369-I372 PolarHBondContact O-N 3.42Å; I370-I372 PolarHBondContact O-N 3.04Å; I372-M374 PolarHBondContact O-N 3.32Å; I372-C375 WeakPolarHBondContact O-CB 3.49Å; I372-C375 PolarHBondContact O-N 3.31Å; I372-C375 VanDerWaalsContact O-N 3.16Å; I372-I376 HydrophobicContact CG2-CD1 4.06Å; I372-I376 WeakPolarHBondContact O-CG1 3.32Å; I372-I376 PolarHBondContact O-N 3.24Å
373F97.8Very high96.3Very high108 Ų10858.2 Ų58.247%0.47430%0.295SS..Hα-helixtrans-58.2-47.5175.9174.2-100.4000111.8A369 I370 C375 I376 M377 I420A369-F373 PolarHBondContact O-N 3.24Å; I370-F373 PolarHBondContact O-N 2.84Å; F373-C375 VanDerWaalsContact C-N 3.31Å; F373-C375 PolarHBondContact O-N 3.1Å; F373-I376 WeakPolarHBondContact O-CB 3.26Å; F373-I376 PolarHBondContact O-N 3.28Å; F373-M377 HydrophobicContact CD1-CG 4.29Å; F373-M377 HydrophobicContact CE1-CG 3.77Å; F373-M377 HydrophobicContact CE2-CG 4.11Å; F373-M377 HydrophobicContact CE2-SD 4.36Å; F373-M377 HydrophobicContact CZ-CG 3.67Å; F373-M377 HydrophobicContact CZ-SD 4.02Å; F373-M377 WeakPolarHBondContact O-CG 3.43Å; F373-M377 PolarHBondContact O-N 2.9Å; F373-I420 HydrophobicContact CZ-CG2 4.21Å
374M98.1Very high96.3Very high24 Ų2454.5 Ų54.512%0.11828%0.281CS..Hα-helixtrans-61.1-39175.6-71.3175.1170.400111.8V194 P195 V198 I370 A371 I372 I376 M377 T378 Y424 L427V194-M374 HydrophobicContact CG1-CE 4.35Å; V194-M374 HydrophobicContact CG1-SD 3.71Å; P195-M374 HydrophobicContact CB-CB 3.93Å; V198-M374 HydrophobicContact CB-SD 4.5Å; V198-M374 HydrophobicContact CG2-SD 3.91Å; I370-M374 HydrophobicContact CG2-CE 3.68Å; I370-M374 HydrophobicContact CG2-CG 4.38Å; I370-M374 HydrophobicContact CG2-SD 3.91Å; I370-M374 WeakPolarHBondContact O-CB 3.26Å; I370-M374 VanDerWaalsContact O-CG 3.31Å; I370-M374 WeakPolarHBondContact O-CG 3.38Å; I370-M374 PolarHBondContact O-N 3.11Å; A371-M374 PolarHBondContact O-N 3.19Å; I372-M374 PolarHBondContact O-N 3.32Å; M374-I376 VanDerWaalsContact C-N 3.34Å; M374-I376 PolarHBondContact O-N 3.15Å; M374-M377 PolarHBondContact O-N 3.28Å; M374-T378 PolarHBondContact O-N 3Å; M374-T378 PolarHBondContact O-OG1 3.14Å; M374-T378 VanDerWaalsContact O-OG1 3.08Å; M374-Y424 HydrophobicContact CB-CE2 3.99Å; M374-Y424 HydrophobicContact CG-CE2 3.81Å; M374-Y424 PolarHBondContact O-OH 2.98Å; M374-L427 HydrophobicContact CE-CD1 4.22Å; M374-L427 HydrophobicContact CE-CD2 4.46Å
375C97.7Very high96.1Very high78 Ų7852.1 Ų52.153%0.52727%0.272SS..Hα-helixtrans-64-38.5176.2-1700000112.2P195 A371 I372 F373 T378 G379P195-C375 HydrophobicContact CB-CB 4.49Å; A371-C375 WeakPolarHBondContact O-CB 3.43Å; A371-C375 PolarHBondContact O-N 3.1Å; I372-C375 WeakPolarHBondContact O-CB 3.49Å; I372-C375 PolarHBondContact O-N 3.31Å; I372-C375 VanDerWaalsContact O-N 3.16Å; F373-C375 VanDerWaalsContact C-N 3.31Å; F373-C375 PolarHBondContact O-N 3.1Å; C375-T378 PolarHBondContact O-N 3.3Å; C375-G379 PolarHBondContact O-N 2.78Å
376I98Very high95.7Very high109 Ų10947.8 Ų47.856%0.55926%0.26SS*.Hα-helixtrans-64-47.1173.4-66.8165.7000109.8I372 F373 M374 T378 G379 F380I372-I376 HydrophobicContact CG2-CD1 4.06Å; I372-I376 WeakPolarHBondContact O-CG1 3.32Å; I372-I376 PolarHBondContact O-N 3.24Å; F373-I376 WeakPolarHBondContact O-CB 3.26Å; F373-I376 PolarHBondContact O-N 3.28Å; M374-I376 VanDerWaalsContact C-N 3.34Å; M374-I376 PolarHBondContact O-N 3.15Å; I376-T378 VanDerWaalsContact C-N 3.35Å; I376-T378 PolarHBondContact O-N 3.2Å; I376-G379 PolarHBondContact O-N 2.83Å; I376-F380 WeakPolarHBondContact O-CB 3.49Å; I376-F380 PolarHBondContact O-N 3.17Å
377M97.4Very high95.3Very high17 Ų1746 Ų468%0.08425%0.249CC..Hα-helixtrans-61.2-40.6177.1-71.3-61.9-62.700112.4F373 M374 F380 I381 I420 Y424F373-M377 HydrophobicContact CD1-CG 4.29Å; F373-M377 HydrophobicContact CE1-CG 3.77Å; F373-M377 HydrophobicContact CE2-CG 4.11Å; F373-M377 HydrophobicContact CE2-SD 4.36Å; F373-M377 HydrophobicContact CZ-CG 3.67Å; F373-M377 HydrophobicContact CZ-SD 4.02Å; F373-M377 WeakPolarHBondContact O-CG 3.43Å; F373-M377 PolarHBondContact O-N 2.9Å; M374-M377 PolarHBondContact O-N 3.28Å; M377-F380 HydrophobicContact CE-CD1 4.24Å; M377-F380 PolarHBondContact O-N 3.27Å; M377-I381 WeakPolarHBondContact O-CG1 3.45Å; M377-I381 PolarHBondContact O-N 3.18Å; M377-I420 HydrophobicContact CE-CG2 4.12Å; M377-I420 HydrophobicContact SD-CG2 4.49Å; M377-Y424 HydrophobicContact CB-CD1 3.48Å; M377-Y424 VanDerWaalsContact CB-CD1 3.48Å; M377-Y424 HydrophobicContact CB-CD2 4.47Å; M377-Y424 HydrophobicContact CB-CE1 3.47Å; M377-Y424 VanDerWaalsContact CB-CE1 3.47Å; M377-Y424 HydrophobicContact CB-CE2 4.46Å; M377-Y424 HydrophobicContact CB-CG 4.03Å; M377-Y424 HydrophobicContact CE-CD1 4.23Å; M377-Y424 HydrophobicContact CE-CG 4.42Å; M377-Y424 HydrophobicContact CG-CD1 4.37Å
378T97.2Very high94.8Very high18 Ų1844.6 Ų44.611%0.1124%0.241CC..Hα-helixtrans-57.3-52171.9-630000110.9L191 M374 C375 I376 F380 I381 V382 Y424L191-T378 HydrophobicContact CB-CG2 4.1Å; L191-T378 WeakPolarHBondContact O-CG2 3.33Å; L191-T378 PolarHBondContact O-OG1 3Å; M374-T378 PolarHBondContact O-N 3Å; M374-T378 PolarHBondContact O-OG1 3.14Å; M374-T378 VanDerWaalsContact O-OG1 3.08Å; C375-T378 PolarHBondContact O-N 3.3Å; I376-T378 VanDerWaalsContact C-N 3.35Å; I376-T378 PolarHBondContact O-N 3.2Å; T378-F380 VanDerWaalsContact C-N 3.3Å; T378-F380 PolarHBondContact O-N 2.89Å; T378-I381 PolarHBondContact O-N 3.46Å; T378-V382 HydrophobicContact CG2-CG2 4.1Å; T378-V382 WeakPolarHBondContact O-CB 3.45Å; T378-V382 VanDerWaalsContact O-CG2 3.27Å; T378-V382 WeakPolarHBondContact O-CG2 3.22Å; T378-V382 PolarHBondContact O-N 3.09Å; T378-Y424 PolarHBondContact OG1-OH 3.23Å
379G96.2Very high94Very high41 Ų4145.3 Ų45.342%0.42325%0.247SC..Hα-helixtrans-59.8-42.1-18000000112.1C375 I376 W383C375-G379 PolarHBondContact O-N 2.78Å; I376-G379 PolarHBondContact O-N 2.83Å; G379-W383 VanDerWaalsContact O-CB 3.27Å; G379-W383 WeakPolarHBondContact O-CB 3.38Å; G379-W383 PolarHBondContact O-N 3.46Å
380F95.9Very high93.1Very high22 Ų2243.9 Ų43.910%0.09623%0.233CC..Hα-helixtrans-60.9-47.3175.5161.8-98.6000112.7I376 M377 T378 S384 L397 A398 F401 F417 T421I376-F380 WeakPolarHBondContact O-CB 3.49Å; I376-F380 PolarHBondContact O-N 3.17Å; M377-F380 HydrophobicContact CE-CD1 4.24Å; M377-F380 PolarHBondContact O-N 3.27Å; T378-F380 VanDerWaalsContact C-N 3.3Å; T378-F380 PolarHBondContact O-N 2.89Å; F380-S384 WeakPolarHBondContact O-CB 3.25Å; F380-S384 PolarHBondContact O-N 3.44Å; F380-S384 PolarHBondContact O-OG 2.9Å; F380-L397 HydrophobicContact CD2-CB 3.65Å; F380-L397 HydrophobicContact CD2-CD1 4.01Å; F380-L397 HydrophobicContact CE2-CB 3.5Å; F380-L397 VanDerWaalsContact CE2-CB 3.5Å; F380-A398 HydrophobicContact CE2-CB 4.26Å; F380-A398 HydrophobicContact CZ-CB 3.63Å; F380-F401 HydrophobicContact CD2-CE2 4.44Å; F380-F401 HydrophobicContact CE2-CD2 4.07Å; F380-F401 HydrophobicContact CE2-CE2 4.1Å; F380-F417 HydrophobicContact CE1-CZ 4.23Å; F380-F417 AromaticContact CE2-CZ 3.95Å; F380-F417 HydrophobicContact CE2-CZ 3.95Å; F380-F417 HydrophobicContact CZ-CE1 4.21Å; F380-F417 HydrophobicContact CZ-CE2 4.34Å; F380-F417 AromaticContact CZ-CZ 3.47Å; F380-F417 HydrophobicContact CZ-CZ 3.47Å; F380-F417 VanDerWaalsContact CZ-CZ 3.47Å; F380-T421 HydrophobicContact CE1-CG2 3.99Å
381I95.5Very high92Very high0 Ų042.1 Ų42.10%022%0.224CC..Hα-helixtrans-67.8-50.5179.1-71.2178.3000110.4L191 M377 T378 W383 S384 E385 Y424 L425L191-I381 HydrophobicContact CD1-CG2 4.14Å; L191-I381 HydrophobicContact CD2-CB 4.32Å; L191-I381 HydrophobicContact CD2-CD1 4.26Å; L191-I381 HydrophobicContact CD2-CG2 4.13Å; M377-I381 WeakPolarHBondContact O-CG1 3.45Å; M377-I381 PolarHBondContact O-N 3.18Å; T378-I381 PolarHBondContact O-N 3.46Å; I381-W383 PolarHBondContact O-N 2.8Å; I381-S384 CarbonylContact O-C 3.54Å; I381-S384 PolarHBondContact O-N 2.93Å; I381-E385 HydrophobicContact CG2-CG 4.01Å; I381-E385 WeakPolarHBondContact O-CG 3.36Å; I381-E385 PolarHBondContact O-N 3.43Å; I381-Y424 HydrophobicContact CD1-CD1 3.47Å; I381-Y424 VanDerWaalsContact CD1-CD1 3.47Å; I381-Y424 HydrophobicContact CD1-CE1 3.98Å; I381-L425 HydrophobicContact CD1-CD2 3.72Å; I381-L425 HydrophobicContact CD1-CG 3.83Å; I381-L425 HydrophobicContact CG2-CD2 3.94Å
382V94.4Very high91Very high30 Ų3049.2 Ų49.218%0.18226%0.256CS..Hα-helixtrans-58.4-39.2-179.1172.70000110.9L191 T378 S386 I521L191-V382 HydrophobicContact CD1-CG2 4.11Å; T378-V382 HydrophobicContact CG2-CG2 4.1Å; T378-V382 WeakPolarHBondContact O-CB 3.45Å; T378-V382 VanDerWaalsContact O-CG2 3.27Å; T378-V382 WeakPolarHBondContact O-CG2 3.22Å; T378-V382 PolarHBondContact O-N 3.09Å; V382-S386 WeakPolarHBondContact O-CB 3.36Å; V382-S386 PolarHBondContact O-N 2.97Å; V382-S386 PolarHBondContact O-OG 3.46Å; V382-I521 HydrophobicContact CG1-CG1 4.28Å
383W93.9Very high90.3Very high132 Ų13249.1 Ų49.150%0.526%0.262SS..Hα-helixtrans-62.6-49.4172.4-179.1-83.9000112G379 I381 E385 S386 T387 L395 L397G379-W383 VanDerWaalsContact O-CB 3.27Å; G379-W383 WeakPolarHBondContact O-CB 3.38Å; G379-W383 PolarHBondContact O-N 3.46Å; I381-W383 PolarHBondContact O-N 2.8Å; W383-E385 VanDerWaalsContact C-N 3.33Å; W383-E385 PolarHBondContact O-N 3.39Å; W383-S386 WeakPolarHBondContact CA-OG 3.39Å; W383-S386 PolarHBondContact O-N 3.06Å; W383-S386 PolarHBondContact O-OG 3.47Å; W383-T387 HydrophobicContact CZ2-CG2 4.25Å; W383-T387 PolarHBondContact O-N 3.01Å; W383-T387 PolarHBondContact O-OG1 3Å; W383-L395 PolarHBondContact NE1-O 3.47Å; W383-L397 HydrophobicContact CB-CD1 4.42Å; W383-L397 HydrophobicContact CG-CD1 4.1Å; W383-L397 HydrophobicContact CG-CG 4.41Å
384S93.1Very high89.7Confident0 Ų046.7 Ų46.70%026%0.257CS..Hα-helixtrans-61.7-40.5-179.4-55.70000111.6F380 I381 S386 T387 F388 S396 A398 L476F380-S384 WeakPolarHBondContact O-CB 3.25Å; F380-S384 PolarHBondContact O-N 3.44Å; F380-S384 PolarHBondContact O-OG 2.9Å; I381-S384 CarbonylContact O-C 3.54Å; I381-S384 PolarHBondContact O-N 2.93Å; S384-S386 VanDerWaalsContact C-N 3.29Å; S384-S386 PolarHBondContact O-N 2.98Å; S384-T387 PolarHBondContact O-N 3.27Å; S384-T387 VanDerWaalsContact O-N 3.15Å; S384-T387 PolarHBondContact O-OG1 3.36Å; S384-F388 WeakPolarHBondContact O-CB 3.45Å; S384-F388 PolarHBondContact O-N 3.15Å; S384-S396 WeakPolarHBondContact CB-OG 3.49Å; S384-A398 PolarHBondContact OG-N 3.05Å; S384-L476 VanDerWaalsContact C-CD2 3.43Å
385E90.1Very high89.2Confident1 Ų149.3 Ų49.31%0.00527%0.271CS..Hα-helixtrans-62.4-34.2172.6-69.5-62.9162.200112.6I381 W383 T387 F388 N472 L476 I520I381-E385 HydrophobicContact CG2-CG 4.01Å; I381-E385 WeakPolarHBondContact O-CG 3.36Å; I381-E385 PolarHBondContact O-N 3.43Å; W383-E385 VanDerWaalsContact C-N 3.33Å; W383-E385 PolarHBondContact O-N 3.39Å; E385-T387 VanDerWaalsContact C-N 3.26Å; E385-T387 PolarHBondContact O-N 2.9Å; E385-F388 WeakPolarHBondContact O-CD1 3.36Å; E385-F388 WeakPolarHBondContact O-CE1 3.26Å; E385-N472 VanDerWaalsContact CD-ND2 3.32Å; E385-N472 PolarHBondContact OE1-ND2 2.98Å; E385-N472 PolarHBondContact OE1-OD1 3.31Å; E385-N472 PolarHBondContact OE2-ND2 3.36Å; E385-L476 HydrophobicContact CB-CD2 4.47Å; E385-L476 HydrophobicContact CG-CD2 3.96Å; E385-L476 WeakPolarHBondContact OE1-CD2 3.18Å; E385-I520 HydrophobicContact CG-CD1 4.38Å
386S86.2Confident88.9Confident33 Ų3345.6 Ų45.623%0.23125%0.246CC..Hα-helixtrans-77.5-10.6177.873.80000114.2V382 W383 S384 F389V382-S386 WeakPolarHBondContact O-CB 3.36Å; V382-S386 PolarHBondContact O-N 2.97Å; V382-S386 PolarHBondContact O-OG 3.46Å; W383-S386 WeakPolarHBondContact CA-OG 3.39Å; W383-S386 PolarHBondContact O-N 3.06Å; W383-S386 PolarHBondContact O-OG 3.47Å; S384-S386 VanDerWaalsContact C-N 3.29Å; S384-S386 PolarHBondContact O-N 2.98Å; S386-F389 WeakPolarHBondContact O-CE1 3.46Å
387T87.4Confident88.7Confident11 Ų1143.1 Ų43.17%0.06723%0.233CC..Hα-helixtrans-130.6-6.2-169.152.10000114.4W383 S384 E385 F389 S390 L395 S396W383-T387 HydrophobicContact CZ2-CG2 4.25Å; W383-T387 PolarHBondContact O-N 3.01Å; W383-T387 PolarHBondContact O-OG1 3Å; S384-T387 PolarHBondContact O-N 3.27Å; S384-T387 VanDerWaalsContact O-N 3.15Å; S384-T387 PolarHBondContact O-OG1 3.36Å; E385-T387 VanDerWaalsContact C-N 3.26Å; E385-T387 PolarHBondContact O-N 2.9Å; T387-F389 PolarHBondContact O-N 3.4Å; T387-F389 VanDerWaalsContact O-N 3.1Å; T387-S390 WeakPolarHBondContact O-CB 3.2Å; T387-S390 PolarHBondContact O-N 3.46Å; T387-L395 HydrophobicContact CG2-CB 3.91Å; T387-L395 PolarHBondContact OG1-O 3.39Å; T387-S396 VanDerWaalsContact OG1-CA 3.3Å; T387-S396 WeakPolarHBondContact OG1-CA 3.32Å; T387-S396 PolarHBondContact OG1-N 2.81Å
388F84.9Confident88.5Confident8 Ų842.3 Ų42.34%0.03523%0.229CC..THydrogen-bonded Turntrans-62.1-21.2-176.180.3-93.8000114.4S384 E385 S390 H478 V483 I514 P517 M518S384-F388 WeakPolarHBondContact O-CB 3.45Å; S384-F388 PolarHBondContact O-N 3.15Å; E385-F388 WeakPolarHBondContact O-CD1 3.36Å; E385-F388 WeakPolarHBondContact O-CE1 3.26Å; F388-S390 VanDerWaalsContact C-N 3.26Å; F388-S390 PolarHBondContact O-N 3.01Å; F388-H478 PolarHBondContact O-CD2 2.93Å; F388-H478 PolarHBondContact O-NE2 2.89Å; F388-V483 HydrophobicContact CD2-CG1 3.94Å; F388-V483 HydrophobicContact CE2-CG1 3.46Å; F388-V483 VanDerWaalsContact CE2-CG1 3.46Å; F388-I514 VanDerWaalsContact CZ-O 3.26Å; F388-I514 WeakPolarHBondContact CZ-O 3.48Å; F388-P517 HydrophobicContact CE1-CB 4.32Å; F388-M518 HydrophobicContact CE1-CG 4.46Å
389F80.3Confident88.3Confident95 Ų9541.4 Ų41.442%0.41722%0.224SC..THydrogen-bonded Turntrans-75.5-16.617564.3-93.7000112.8S386 T387 L391 I514 M518S386-F389 WeakPolarHBondContact O-CE1 3.46Å; T387-F389 PolarHBondContact O-N 3.4Å; T387-F389 VanDerWaalsContact O-N 3.1Å; F389-L391 PolarHBondContact O-N 3.48Å; F389-I514 HydrophobicContact CB-CG2 4.46Å; F389-M518 HydrophobicContact CB-CE 4.07Å; F389-M518 HydrophobicContact CD1-CE 3.2Å; F389-M518 HydrophobicContact CD1-SD 3.92Å; F389-M518 HydrophobicContact CE1-CE 3.75Å; F389-M518 HydrophobicContact CE1-SD 3.85Å; F389-M518 HydrophobicContact CG-CE 3.81Å
390S78.6Confident88.2Confident31 Ų3143.3 Ų43.322%0.21722%0.224CC..  trans-88.495.2179.3-65.10000110.2T387 F388 P393 L395 H478T387-S390 WeakPolarHBondContact O-CB 3.2Å; T387-S390 PolarHBondContact O-N 3.46Å; F388-S390 VanDerWaalsContact C-N 3.26Å; F388-S390 PolarHBondContact O-N 3.01Å; S390-P393 VanDerWaalsContact O-O 3.07Å; S390-L395 PolarHBondContact O-N 3.12Å; S390-H478 PolarHBondContact O-CE1 3.37Å; S390-H478 VanDerWaalsContact O-CE1 3.31Å
391L74.5Confident88.1Confident34 Ų3446.2 Ų46.218%0.17824%0.237CC..THydrogen-bonded Turntrans-76.7-41.5-178.8-81.9133.8000114.1F389 P393 P394 T484 D486F389-L391 PolarHBondContact O-N 3.48Å; L391-P393 CarbonylContact C-O 3.58Å; L391-P393 CarbonylContact O-C 3.58Å; L391-P393 VanDerWaalsContact O-C 3.31Å; L391-P394 WeakPolarHBondContact O-CD 3.34Å; L391-P394 VanDerWaalsContact O-N 3.13Å; L391-T484 HydrophobicContact CD1-CG2 3.94Å; L391-T484 WeakPolarHBondContact CD1-O 3.45Å; L391-T484 HydrophobicContact CD2-CG2 3.55Å; L391-T484 HydrophobicContact CG-CG2 3.83Å; L391-D486 HydrophobicContact CD2-CB 3.95Å
392H76.6Confident88.1Confident151 Ų15146.2 Ų46.270%0.69924%0.237SC*.THydrogen-bonded Turntrans-134100.8-172.5-59.2-40.8000110.3
393P83.2Confident88Confident88 Ų8847.9 Ų47.957%0.57124%0.242SC*.THydrogen-bonded Turncis-73.5155.7-1.131.6-35.8000113.1S390 L391 L395S390-P393 VanDerWaalsContact O-O 3.07Å; L391-P393 CarbonylContact C-O 3.58Å; L391-P393 CarbonylContact O-C 3.58Å; L391-P393 VanDerWaalsContact O-C 3.31Å; P393-L395 HydrophobicContact CG-CD2 4.1Å; P393-L395 HydrophobicContact CG-CG 4.41Å; P393-L395 PolarHBondContact O-N 3.11Å; P393-L395 VanDerWaalsContact O-N 3.08Å
394P84.1Confident87.9Confident58 Ų5846.4 Ų46.438%0.37724%0.244SC..THydrogen-bonded Turntrans-70105.5174.628.3-33.2000109.8L391L391-P394 WeakPolarHBondContact O-CD 3.34Å; L391-P394 VanDerWaalsContact O-N 3.13Å
395L87.8Confident87.9Confident78 Ų7846.8 Ų46.841%0.40825%0.247SC..  trans-91.6-19.1-177.6-68-179.4000113.5W383 T387 S390 P393 L397W383-L395 PolarHBondContact NE1-O 3.47Å; T387-L395 HydrophobicContact CG2-CB 3.91Å; T387-L395 PolarHBondContact OG1-O 3.39Å; S390-L395 PolarHBondContact O-N 3.12Å; P393-L395 HydrophobicContact CG-CD2 4.1Å; P393-L395 HydrophobicContact CG-CG 4.41Å; P393-L395 PolarHBondContact O-N 3.11Å; P393-L395 VanDerWaalsContact O-N 3.08Å; L395-L397 PolarHBondContact O-N 3.1Å
396S91.8Very high88Confident0 Ų047.7 Ų47.70%025%0.254CS..  trans-64.4121.9172.7172.80000110.2S384 T387 A398 A399 L400 L476S384-S396 WeakPolarHBondContact CB-OG 3.49Å; T387-S396 VanDerWaalsContact OG1-CA 3.3Å; T387-S396 WeakPolarHBondContact OG1-CA 3.32Å; T387-S396 PolarHBondContact OG1-N 2.81Å; S396-A398 PolarHBondContact O-N 3.4Å; S396-A398 PolarHBondContact OG-N 2.94Å; S396-A399 PolarHBondContact O-N 3.12Å; S396-A399 PolarHBondContact OG-N 2.96Å; S396-L400 PolarHBondContact O-N 2.96Å; S396-L476 WeakPolarHBondContact CB-O 3.34Å; S396-L476 PolarHBondContact OG-O 3.48Å
397L93.5Very high88.1Confident57 Ų5751.8 Ų51.830%0.29828%0.278SS..Hα-helixtrans-63.7-35.2178.3-67.1173.3000111F380 W383 L395 L400 F401F380-L397 HydrophobicContact CD2-CB 3.65Å; F380-L397 HydrophobicContact CD2-CD1 4.01Å; F380-L397 HydrophobicContact CE2-CB 3.5Å; F380-L397 VanDerWaalsContact CE2-CB 3.5Å; W383-L397 HydrophobicContact CB-CD1 4.42Å; W383-L397 HydrophobicContact CG-CD1 4.1Å; W383-L397 HydrophobicContact CG-CG 4.41Å; L395-L397 PolarHBondContact O-N 3.1Å; L397-L400 PolarHBondContact O-N 3.34Å; L397-F401 HydrophobicContact CB-CE2 4.32Å; L397-F401 WeakPolarHBondContact O-CD2 3.46Å; L397-F401 WeakPolarHBondContact O-CG 3.35Å; L397-F401 PolarHBondContact O-N 3.29Å
398A94.2Very high88.3Confident0 Ų056.8 Ų56.80%030%0.304CS..Hα-helixtrans-61.6-47.8175.800000111.2F380 S384 S396 V402 L476 I477F380-A398 HydrophobicContact CE2-CB 4.26Å; F380-A398 HydrophobicContact CZ-CB 3.63Å; S384-A398 PolarHBondContact OG-N 3.05Å; S396-A398 PolarHBondContact O-N 3.4Å; S396-A398 PolarHBondContact OG-N 2.94Å; A398-V402 WeakPolarHBondContact O-CB 3.47Å; A398-V402 WeakPolarHBondContact O-CG2 3.39Å; A398-V402 PolarHBondContact O-N 3.46Å; A398-V402 VanDerWaalsContact O-N 3.12Å; A398-L476 HydrophobicContact CB-CB 4.05Å; A398-I477 HydrophobicContact CB-CG2 4.05Å
399A93.2Very high88.5Confident0 Ų058.7 Ų58.70%031%0.313CS..Hα-helixtrans-61.3-47.217500000111S396 F401 V402 H403 L476 H478S396-A399 PolarHBondContact O-N 3.12Å; S396-A399 PolarHBondContact OG-N 2.96Å; A399-F401 PolarHBondContact O-N 2.91Å; A399-V402 PolarHBondContact O-N 2.86Å; A399-H403 WeakPolarHBondContact O-CB 3.45Å; A399-H403 PolarHBondContact O-CD2 2.81Å; A399-H403 PolarHBondContact O-N 3.27Å; A399-L476 PolarHBondContact N-O 3.35Å; A399-H478 HydrophobicContact CB-CB 4.37Å
400L92.8Very high89.1Confident80 Ų8057.7 Ų57.742%0.41931%0.312SS..Hα-helixtrans-56-49.3-179.6-179.563.7000112.2S396 L397 L404S396-L400 PolarHBondContact O-N 2.96Å; L397-L400 PolarHBondContact O-N 3.34Å; L400-L404 WeakPolarHBondContact O-CB 3.15Å; L400-L404 PolarHBondContact O-N 3.41Å
401F94.6Very high89.8Confident83 Ų8356.9 Ų56.936%0.36430%0.304SS..Hα-helixtrans-66.9-42.9-179-68.2-42.8000112.7F380 L397 A399 A405 F413 F417F380-F401 HydrophobicContact CD2-CE2 4.44Å; F380-F401 HydrophobicContact CE2-CD2 4.07Å; F380-F401 HydrophobicContact CE2-CE2 4.1Å; L397-F401 HydrophobicContact CB-CE2 4.32Å; L397-F401 WeakPolarHBondContact O-CD2 3.46Å; L397-F401 WeakPolarHBondContact O-CG 3.35Å; L397-F401 PolarHBondContact O-N 3.29Å; A399-F401 PolarHBondContact O-N 2.91Å; F401-A405 WeakPolarHBondContact O-CB 3.36Å; F401-A405 PolarHBondContact O-N 3.42Å; F401-F413 HydrophobicContact CB-CE1 4.43Å; F401-F417 HydrophobicContact CB-CE1 4.29Å; F401-F417 HydrophobicContact CB-CE2 4.44Å; F401-F417 HydrophobicContact CB-CZ 4.08Å; F401-F417 AromaticContact CD2-CE2 3.88Å; F401-F417 HydrophobicContact CD2-CE2 3.88Å; F401-F417 AromaticContact CD2-CZ 3.69Å; F401-F417 HydrophobicContact CD2-CZ 3.69Å; F401-F417 HydrophobicContact CG-CZ 4.35Å
402V94.5Very high90.7Very high0 Ų059.3 Ų59.30%032%0.321CS..Hα-helixtrans-70-45.4-177.8170.40000111.5F60 A398 A399 A405 A406 I414 F417 I477F60-V402 HydrophobicContact CD2-CG1 4.31Å; F60-V402 HydrophobicContact CE2-CG1 3.28Å; F60-V402 HydrophobicContact CZ-CG1 3.59Å; A398-V402 WeakPolarHBondContact O-CB 3.47Å; A398-V402 WeakPolarHBondContact O-CG2 3.39Å; A398-V402 PolarHBondContact O-N 3.46Å; A398-V402 VanDerWaalsContact O-N 3.12Å; A399-V402 PolarHBondContact O-N 2.86Å; V402-A405 PolarHBondContact O-N 3.23Å; V402-A406 WeakPolarHBondContact O-CB 3.13Å; V402-A406 PolarHBondContact O-N 3.26Å; V402-I414 HydrophobicContact CG1-CG1 4.48Å; V402-I414 HydrophobicContact CG1-CG2 4.05Å; V402-F417 HydrophobicContact CG2-CD1 3.72Å; V402-F417 HydrophobicContact CG2-CE1 3.89Å; V402-I477 HydrophobicContact CB-CG2 4.39Å; V402-I477 HydrophobicContact CG2-CG2 3.95Å
403H92Very high91.6Very high66 Ų6656.2 Ų56.231%0.30631%0.305SS..Hα-helixtrans-67.6-37.8178.2-76.6-76.8000112F60 A399 A405 A406 V407 I477F60-H403 AromaticContact CE1-CE1 3.77Å; F60-H403 AromaticContact CE1-ND1 3.74Å; F60-H403 AromaticContact CZ-CE1 3.92Å; A399-H403 WeakPolarHBondContact O-CB 3.45Å; A399-H403 PolarHBondContact O-CD2 2.81Å; A399-H403 PolarHBondContact O-N 3.27Å; H403-A405 PolarHBondContact O-N 3.41Å; H403-A406 PolarHBondContact O-N 2.93Å; H403-V407 WeakPolarHBondContact O-CG2 3.33Å; H403-V407 PolarHBondContact O-N 2.92Å; H403-I477 PolarHBondContact NE2-O 2.93Å
404L92.4Very high92.2Very high101 Ų10152 Ų5253%0.52928%0.278SS..Hα-helixtrans-62.3-43.3173.9-177.167.3000111.7L400 A406 V407 N408L400-L404 WeakPolarHBondContact O-CB 3.15Å; L400-L404 PolarHBondContact O-N 3.41Å; L404-A406 VanDerWaalsContact C-N 3.33Å; L404-V407 PolarHBondContact O-N 3.25Å; L404-N408 PolarHBondContact O-N 3.05Å; L404-N408 PolarHBondContact O-ND2 3.42Å
405A94.1Very high92.7Very high7 Ų750.4 Ų50.46%0.05827%0.265CS..Hα-helixtrans-66.7-35.6175.400000112.2F401 V402 H403 N408 Q409 D410 F413 I414F401-A405 WeakPolarHBondContact O-CB 3.36Å; F401-A405 PolarHBondContact O-N 3.42Å; V402-A405 PolarHBondContact O-N 3.23Å; H403-A405 PolarHBondContact O-N 3.41Å; A405-N408 CarbonylContact O-C 3.39Å; A405-N408 PolarHBondContact O-N 3.23Å; A405-Q409 PolarHBondContact O-N 3.38Å; A405-Q409 VanDerWaalsContact O-N 3.09Å; A405-D410 PolarHBondContact O-N 2.82Å; A405-F413 HydrophobicContact CB-CD1 3.5Å; A405-F413 VanDerWaalsContact CB-CD1 3.5Å; A405-F413 HydrophobicContact CB-CE1 4.11Å; A405-F413 HydrophobicContact CB-CG 4.4Å; A405-I414 HydrophobicContact CB-CD1 4.26Å; A405-I414 HydrophobicContact CB-CG1 3.67Å
406A91.4Very high93.1Very high20 Ų2050.2 Ų50.217%0.16527%0.267CS..Hα-helixtrans-65.8-40177.500000112.1F60 V402 H403 L404 N408 Q409 I414F60-A406 HydrophobicContact CB-CB 4.38Å; F60-A406 HydrophobicContact CD1-CB 3.58Å; F60-A406 HydrophobicContact CD2-CB 4.4Å; F60-A406 HydrophobicContact CE1-CB 3.88Å; F60-A406 HydrophobicContact CG-CB 3.87Å; F60-A406 HydrophobicContact CZ-CB 4.41Å; V402-A406 WeakPolarHBondContact O-CB 3.13Å; V402-A406 PolarHBondContact O-N 3.26Å; H403-A406 PolarHBondContact O-N 2.93Å; L404-A406 VanDerWaalsContact C-N 3.33Å; A406-N408 VanDerWaalsContact C-N 3.25Å; A406-N408 PolarHBondContact O-N 2.86Å; A406-Q409 PolarHBondContact O-N 2.71Å; A406-I414 HydrophobicContact CB-CD1 3.89Å
407V88.9Confident93.3Very high119 Ų11951.7 Ų51.772%0.72127%0.274SS*.Hα-helixtrans-59.5-38.9172.7170.70000111.3H403 L404 Q409H403-V407 WeakPolarHBondContact O-CG2 3.33Å; H403-V407 PolarHBondContact O-N 2.92Å; L404-V407 PolarHBondContact O-N 3.25Å; V407-Q409 PolarHBondContact O-N 3.4Å
408N90.6Very high93.5Very high116 Ų11649 Ų4962%0.6226%0.259SS*.THydrogen-bonded Turntrans-81.11.6176.9-66.3-30.2000113.9L404 A405 A406 D410L404-N408 PolarHBondContact O-N 3.05Å; L404-N408 PolarHBondContact O-ND2 3.42Å; A405-N408 CarbonylContact O-C 3.39Å; A405-N408 PolarHBondContact O-N 3.23Å; A406-N408 VanDerWaalsContact C-N 3.25Å; A406-N408 PolarHBondContact O-N 2.86Å; N408-D410 PolarHBondContact O-N 3.5Å
409Q89.9Confident93.6Very high49 Ų4950.7 Ų50.723%0.22927%0.268CS..THydrogen-bonded Turntrans54.227.7-173.5-57.5-178.3-3.900113.8C64 P80 H82 A405 A406 V407 Y411C64-Q409 PolarHBondContact SG-NE2 3.43Å; C64-Q409 VanDerWaalsContact SG-NE2 3.44Å; P80-Q409 PolarHBondContact O-NE2 2.76Å; H82-Q409 PolarHBondContact ND1-OE1 2.96Å; A405-Q409 PolarHBondContact O-N 3.38Å; A405-Q409 VanDerWaalsContact O-N 3.09Å; A406-Q409 PolarHBondContact O-N 2.71Å; V407-Q409 PolarHBondContact O-N 3.4Å; Q409-Y411 VanDerWaalsContact C-N 3.31Å; Q409-Y411 HydrophobicContact CB-CE2 4.04Å; Q409-Y411 VanDerWaalsContact O-CD2 3.29Å; Q409-Y411 WeakPolarHBondContact O-CD2 3.17Å; Q409-Y411 PolarHBondContact O-N 2.86Å
410D93.4Very high93.8Very high74 Ų7453.6 Ų53.640%0.39628%0.283SS..  trans-8673177.6-167.9-10.7000110.9A405 N408 V412 F413 I414A405-D410 PolarHBondContact O-N 2.82Å; N408-D410 PolarHBondContact O-N 3.5Å; D410-V412 PolarHBondContact O-N 3.38Å; D410-F413 HydrophobicContact CB-CB 4.2Å; D410-F413 VanDerWaalsContact CG-CB 3.43Å; D410-F413 PolarHBondContact O-N 3.13Å; D410-F413 WeakPolarHBondContact OD1-CB 3.49Å; D410-F413 PolarHBondContact OD1-N 2.86Å; D410-F413 WeakPolarHBondContact OD2-CB 3.28Å; D410-I414 WeakPolarHBondContact O-CG1 3.27Å; D410-I414 PolarHBondContact O-N 3.04Å
411Y93.2Very high94Very high14 Ų1449.9 Ų49.96%0.05526%0.264CS..Hα-helixtrans-64.5-29.2-178.5-58.8-66.3000113.4V57 F60 H61 H82 P84 Q409 I414 E415V57-Y411 HydrophobicContact CG1-CD1 3.9Å; V57-Y411 HydrophobicContact CG1-CG 4.08Å; F60-Y411 HydrophobicContact CB-CE1 4.27Å; H61-Y411 HydrophobicContact CB-CE1 4.14Å; H82-Y411 WeakPolarHBondContact O-CE2 3.27Å; P84-Y411 HydrophobicContact CB-CD2 4Å; P84-Y411 HydrophobicContact CB-CG 3.9Å; Q409-Y411 VanDerWaalsContact C-N 3.31Å; Q409-Y411 HydrophobicContact CB-CE2 4.04Å; Q409-Y411 VanDerWaalsContact O-CD2 3.29Å; Q409-Y411 WeakPolarHBondContact O-CD2 3.17Å; Q409-Y411 PolarHBondContact O-N 2.86Å; Y411-I414 HydrophobicContact CD1-CD1 4.37Å; Y411-I414 PolarHBondContact O-N 3Å; Y411-E415 WeakPolarHBondContact O-CB 3.27Å; Y411-E415 PolarHBondContact O-N 3.32Å
412V93.2Very high94.1Very high85 Ų8546.1 Ų46.152%0.51525%0.247SC..Hα-helixtrans-67.3-43.6178.6177.10000109.8D410 E415 V416D410-V412 PolarHBondContact O-N 3.38Å; V412-E415 PolarHBondContact O-N 3.46Å; V412-V416 HydrophobicContact CG1-CG2 4.43Å; V412-V416 WeakPolarHBondContact O-CG2 3.42Å; V412-V416 PolarHBondContact O-N 3.45Å
413F95.8Very high94.2Very high86 Ų8650.8 Ų50.838%0.37727%0.27SS..Hα-helixtrans-60.8-46.3173.7179.8-90.5000111.7F401 A405 D410 E415 V416 F417F401-F413 HydrophobicContact CB-CE1 4.43Å; A405-F413 HydrophobicContact CB-CD1 3.5Å; A405-F413 VanDerWaalsContact CB-CD1 3.5Å; A405-F413 HydrophobicContact CB-CE1 4.11Å; A405-F413 HydrophobicContact CB-CG 4.4Å; D410-F413 HydrophobicContact CB-CB 4.2Å; D410-F413 VanDerWaalsContact CG-CB 3.43Å; D410-F413 PolarHBondContact O-N 3.13Å; D410-F413 WeakPolarHBondContact OD1-CB 3.49Å; D410-F413 PolarHBondContact OD1-N 2.86Å; D410-F413 WeakPolarHBondContact OD2-CB 3.28Å; F413-E415 VanDerWaalsContact C-N 3.32Å; F413-E415 PolarHBondContact O-N 3.43Å; F413-V416 PolarHBondContact O-N 2.98Å; F413-F417 HydrophobicContact CD1-CB 4.44Å; F413-F417 HydrophobicContact CE1-CB 4.19Å; F413-F417 HydrophobicContact CE1-CG 4.33Å; F413-F417 HydrophobicContact CZ-CB 4.42Å; F413-F417 HydrophobicContact CZ-CD2 4.24Å; F413-F417 HydrophobicContact CZ-CG 4.48Å; F413-F417 WeakPolarHBondContact O-CB 3.44Å; F413-F417 PolarHBondContact O-N 2.94Å
414I95.3Very high94.5Very high0 Ų048 Ų480%026%0.257CS..Hα-helixtrans-57.4-46.7178.1-63.2168.7000110.6V56 V57 F60 V402 A405 A406 D410 Y411 S418V56-I414 HydrophobicContact CG1-CG2 4Å; V57-I414 HydrophobicContact CG2-CB 4.06Å; V57-I414 HydrophobicContact CG2-CG2 3.83Å; F60-I414 HydrophobicContact CD2-CD1 4.18Å; F60-I414 HydrophobicContact CD2-CG2 4.44Å; V402-I414 HydrophobicContact CG1-CG1 4.48Å; V402-I414 HydrophobicContact CG1-CG2 4.05Å; A405-I414 HydrophobicContact CB-CD1 4.26Å; A405-I414 HydrophobicContact CB-CG1 3.67Å; A406-I414 HydrophobicContact CB-CD1 3.89Å; D410-I414 WeakPolarHBondContact O-CG1 3.27Å; D410-I414 PolarHBondContact O-N 3.04Å; Y411-I414 HydrophobicContact CD1-CD1 4.37Å; Y411-I414 PolarHBondContact O-N 3Å; I414-S418 WeakPolarHBondContact O-CB 3.23Å; I414-S418 PolarHBondContact O-N 2.78Å; I414-S418 PolarHBondContact O-OG 3.25Å
415E94.4Very high94.8Very high23 Ų2343.3 Ų43.311%0.10723%0.232CC..Hα-helixtrans-61.1-54.5-179.7-165.8167.2-171.800111.2P53 V57 S86 Y411 V412 F413 F417 S418 I419P53-E415 HydrophobicContact CB-CG 4.23Å; V57-E415 HydrophobicContact CG2-CB 4Å; S86-E415 PolarHBondContact OG-OE1 2.91Å; S86-E415 PolarHBondContact OG-OE2 3.2Å; Y411-E415 WeakPolarHBondContact O-CB 3.27Å; Y411-E415 PolarHBondContact O-N 3.32Å; V412-E415 PolarHBondContact O-N 3.46Å; F413-E415 VanDerWaalsContact C-N 3.32Å; F413-E415 PolarHBondContact O-N 3.43Å; E415-F417 PolarHBondContact O-N 3.1Å; E415-S418 PolarHBondContact O-N 3.09Å; E415-I419 HydrophobicContact CG-CD1 4.09Å; E415-I419 VanDerWaalsContact O-CG1 3.25Å; E415-I419 WeakPolarHBondContact O-CG1 3.2Å; E415-I419 PolarHBondContact O-N 3.19Å
416V95.3Very high94.9Very high74 Ų7443.2 Ų43.245%0.44823%0.232SC..Hα-helixtrans-63.7-43.9-178172.90000111.8V412 F413 S418 I419 I420V412-V416 HydrophobicContact CG1-CG2 4.43Å; V412-V416 WeakPolarHBondContact O-CG2 3.42Å; V412-V416 PolarHBondContact O-N 3.45Å; F413-V416 PolarHBondContact O-N 2.98Å; V416-S418 VanDerWaalsContact C-N 3.34Å; V416-S418 PolarHBondContact O-N 3.27Å; V416-I419 PolarHBondContact O-N 2.97Å; V416-I420 HydrophobicContact CG1-CD1 3.83Å; V416-I420 VanDerWaalsContact O-CG1 3.3Å; V416-I420 WeakPolarHBondContact O-CG1 3.49Å; V416-I420 PolarHBondContact O-N 2.98Å
417F97Very high95.1Very high31 Ų3145.6 Ų45.614%0.13624%0.241CC..Hα-helixtrans-62.2-42.6178179.1-97.7000111.8F380 F401 V402 F413 E415 I420 T421F380-F417 HydrophobicContact CE1-CZ 4.23Å; F380-F417 AromaticContact CE2-CZ 3.95Å; F380-F417 HydrophobicContact CE2-CZ 3.95Å; F380-F417 HydrophobicContact CZ-CE1 4.21Å; F380-F417 HydrophobicContact CZ-CE2 4.34Å; F380-F417 AromaticContact CZ-CZ 3.47Å; F380-F417 HydrophobicContact CZ-CZ 3.47Å; F380-F417 VanDerWaalsContact CZ-CZ 3.47Å; F401-F417 HydrophobicContact CB-CE1 4.29Å; F401-F417 HydrophobicContact CB-CE2 4.44Å; F401-F417 HydrophobicContact CB-CZ 4.08Å; F401-F417 AromaticContact CD2-CE2 3.88Å; F401-F417 HydrophobicContact CD2-CE2 3.88Å; F401-F417 AromaticContact CD2-CZ 3.69Å; F401-F417 HydrophobicContact CD2-CZ 3.69Å; F401-F417 HydrophobicContact CG-CZ 4.35Å; V402-F417 HydrophobicContact CG2-CD1 3.72Å; V402-F417 HydrophobicContact CG2-CE1 3.89Å; F413-F417 HydrophobicContact CD1-CB 4.44Å; F413-F417 HydrophobicContact CE1-CB 4.19Å; F413-F417 HydrophobicContact CE1-CG 4.33Å; F413-F417 HydrophobicContact CZ-CB 4.42Å; F413-F417 HydrophobicContact CZ-CD2 4.24Å; F413-F417 HydrophobicContact CZ-CG 4.48Å; F413-F417 WeakPolarHBondContact O-CB 3.44Å; F413-F417 PolarHBondContact O-N 2.94Å; E415-F417 PolarHBondContact O-N 3.1Å; F417-I420 PolarHBondContact O-N 3.26Å; F417-T421 WeakPolarHBondContact O-CB 2.92Å; F417-T421 PolarHBondContact O-N 3.24Å; F417-T421 PolarHBondContact O-OG1 3.44Å
418S97Very high95.4Very high0 Ų040 Ų400%021%0.207CC..Hα-helixtrans-66.2-43.7177.1-58.10000111.3I414 E415 V416 I420 T421 I422 F473I414-S418 WeakPolarHBondContact O-CB 3.23Å; I414-S418 PolarHBondContact O-N 2.78Å; I414-S418 PolarHBondContact O-OG 3.25Å; E415-S418 PolarHBondContact O-N 3.09Å; V416-S418 VanDerWaalsContact C-N 3.34Å; V416-S418 PolarHBondContact O-N 3.27Å; S418-I420 PolarHBondContact O-N 2.93Å; S418-T421 PolarHBondContact O-N 3.47Å; S418-I422 WeakPolarHBondContact O-CB 3.45Å; S418-I422 WeakPolarHBondContact O-CD1 3.48Å; S418-I422 VanDerWaalsContact O-CG1 3.23Å; S418-I422 WeakPolarHBondContact O-CG1 3.17Å; S418-I422 PolarHBondContact O-N 2.77Å; S418-F473 WeakPolarHBondContact OG-CZ 3.22Å
419I96.5Very high95.6Very high37 Ų3734.4 Ų34.419%0.1918%0.177CC..Hα-helixtrans-56.7-49.4174.7-70.3167000110.4V49 F50 P53 E415 V416 T421 M423V49-I419 HydrophobicContact CG1-CG2 4.15Å; F50-I419 HydrophobicContact CD1-CD1 4.11Å; F50-I419 HydrophobicContact CD1-CG1 4.44Å; F50-I419 HydrophobicContact CE1-CD1 4.41Å; F50-I419 HydrophobicContact CE1-CG2 4.45Å; P53-I419 HydrophobicContact CB-CG1 3.99Å; P53-I419 HydrophobicContact CG-CG1 3.68Å; E415-I419 HydrophobicContact CG-CD1 4.09Å; E415-I419 VanDerWaalsContact O-CG1 3.25Å; E415-I419 WeakPolarHBondContact O-CG1 3.2Å; E415-I419 PolarHBondContact O-N 3.19Å; V416-I419 PolarHBondContact O-N 2.97Å; I419-T421 VanDerWaalsContact C-N 3.33Å; I419-T421 PolarHBondContact O-N 2.94Å; I419-M423 WeakPolarHBondContact O-CB 3.02Å; I419-M423 PolarHBondContact O-N 2.58Å
420I97.3Very high95.7Very high61 Ų6133 Ų3331%0.31317%0.17SC..Hα-helixtrans-61.4-43.9-179.3-69.7168.1000111F373 M377 V416 F417 S418 Y424F373-I420 HydrophobicContact CZ-CG2 4.21Å; M377-I420 HydrophobicContact CE-CG2 4.12Å; M377-I420 HydrophobicContact SD-CG2 4.49Å; V416-I420 HydrophobicContact CG1-CD1 3.83Å; V416-I420 VanDerWaalsContact O-CG1 3.3Å; V416-I420 WeakPolarHBondContact O-CG1 3.49Å; V416-I420 PolarHBondContact O-N 2.98Å; F417-I420 PolarHBondContact O-N 3.26Å; S418-I420 PolarHBondContact O-N 2.93Å; I420-Y424 WeakPolarHBondContact O-CB 3.34Å; I420-Y424 PolarHBondContact O-N 3.38Å
421T97.4Very high95.5Very high1 Ų131.5 Ų31.51%0.00616%0.159CC..Hα-helixtrans-67.3-49.8-178.4-56.80000111.6F380 F417 S418 I419 Y424 L425 F473F380-T421 HydrophobicContact CE1-CG2 3.99Å; F417-T421 WeakPolarHBondContact O-CB 2.92Å; F417-T421 PolarHBondContact O-N 3.24Å; F417-T421 PolarHBondContact O-OG1 3.44Å; S418-T421 PolarHBondContact O-N 3.47Å; I419-T421 VanDerWaalsContact C-N 3.33Å; I419-T421 PolarHBondContact O-N 2.94Å; T421-Y424 PolarHBondContact O-N 3.42Å; T421-L425 HydrophobicContact CG2-CD1 4.46Å; T421-L425 PolarHBondContact O-N 3.18Å; T421-F473 HydrophobicContact CG2-CD2 4.03Å; T421-F473 HydrophobicContact CG2-CE2 3.79Å
422I97.4Very high95.4Very high4 Ų430.9 Ų30.92%0.02116%0.157CC..Hα-helixtrans-65-42.7179-62.6163.8000110.5V49 L52 P53 S418 Y424 L425 C426 F473V49-I422 HydrophobicContact CG2-CG2 4.2Å; L52-I422 HydrophobicContact CB-CD1 4.05Å; L52-I422 HydrophobicContact CD2-CD1 3.85Å; L52-I422 HydrophobicContact CG-CD1 4.18Å; P53-I422 HydrophobicContact CG-CD1 3.68Å; S418-I422 WeakPolarHBondContact O-CB 3.45Å; S418-I422 WeakPolarHBondContact O-CD1 3.48Å; S418-I422 VanDerWaalsContact O-CG1 3.23Å; S418-I422 WeakPolarHBondContact O-CG1 3.17Å; S418-I422 PolarHBondContact O-N 2.77Å; I422-Y424 VanDerWaalsContact C-N 3.25Å; I422-Y424 PolarHBondContact O-N 3.32Å; I422-L425 WeakPolarHBondContact O-CB 3.45Å; I422-L425 PolarHBondContact O-N 3.05Å; I422-C426 WeakPolarHBondContact O-CB 3.17Å; I422-C426 PolarHBondContact O-N 2.96Å; I422-C426 PolarHBondContact O-SG 2.75Å; I422-C426 VanDerWaalsContact O-SG 3.4Å; I422-F473 HydrophobicContact CD1-CD1 3.72Å; I422-F473 HydrophobicContact CD1-CD2 4.31Å; I422-F473 HydrophobicContact CD1-CE1 3.79Å; I422-F473 HydrophobicContact CD1-CE2 4.39Å; I422-F473 HydrophobicContact CD1-CG 3.99Å; I422-F473 HydrophobicContact CD1-CZ 4.14Å; I422-F473 HydrophobicContact CG1-CB 4.2Å; I422-F473 HydrophobicContact CG1-CD1 3.86Å; I422-F473 HydrophobicContact CG1-CD2 3.57Å; I422-F473 HydrophobicContact CG1-CE1 4.12Å; I422-F473 HydrophobicContact CG1-CE2 3.87Å; I422-F473 HydrophobicContact CG1-CG 3.57Å; I422-F473 HydrophobicContact CG1-CZ 4.14Å
423M96.7Very high95.1Very high98 Ų9826.8 Ų26.848%0.48313%0.132SC..Hα-helixtrans-58.1-40.8176.1179.9-177.55600111.1V49 I419 L427V49-M423 HydrophobicContact CG1-CB 4.04Å; I419-M423 WeakPolarHBondContact O-CB 3.02Å; I419-M423 PolarHBondContact O-N 2.58Å; M423-L427 VanDerWaalsContact O-CB 3.23Å; M423-L427 WeakPolarHBondContact O-CB 3.39Å; M423-L427 PolarHBondContact O-N 3.4Å
424Y97.8Very high94.4Very high9 Ų925.1 Ų25.14%0.03512%0.124CC..Hα-helixtrans-70.8-39.2177.6-174.2-113.1000112.8L191 M374 M377 T378 I381 I420 T421 I422 L427 C428L191-Y424 HydrophobicContact CD2-CE1 3.95Å; M374-Y424 HydrophobicContact CB-CE2 3.99Å; M374-Y424 HydrophobicContact CG-CE2 3.81Å; M374-Y424 PolarHBondContact O-OH 2.98Å; M377-Y424 HydrophobicContact CB-CD1 3.48Å; M377-Y424 VanDerWaalsContact CB-CD1 3.48Å; M377-Y424 HydrophobicContact CB-CD2 4.47Å; M377-Y424 HydrophobicContact CB-CE1 3.47Å; M377-Y424 VanDerWaalsContact CB-CE1 3.47Å; M377-Y424 HydrophobicContact CB-CE2 4.46Å; M377-Y424 HydrophobicContact CB-CG 4.03Å; M377-Y424 HydrophobicContact CE-CD1 4.23Å; M377-Y424 HydrophobicContact CE-CG 4.42Å; M377-Y424 HydrophobicContact CG-CD1 4.37Å; T378-Y424 PolarHBondContact OG1-OH 3.23Å; I381-Y424 HydrophobicContact CD1-CD1 3.47Å; I381-Y424 VanDerWaalsContact CD1-CD1 3.47Å; I381-Y424 HydrophobicContact CD1-CE1 3.98Å; I420-Y424 WeakPolarHBondContact O-CB 3.34Å; I420-Y424 PolarHBondContact O-N 3.38Å; T421-Y424 PolarHBondContact O-N 3.42Å; I422-Y424 VanDerWaalsContact C-N 3.25Å; I422-Y424 PolarHBondContact O-N 3.32Å; Y424-L427 PolarHBondContact O-N 3.44Å; Y424-C428 PolarHBondContact O-N 2.96Å; Y424-C428 PolarHBondContact O-SG 2.89Å
425L97.2Very high93.5Very high1 Ų128.4 Ų28.41%0.00514%0.137CC..Hα-helixtrans-57.6-51.5170.5-76.2168.5000111.2L187 I381 T421 I422 L427 C428 A429 M469 F473 L476L187-L425 HydrophobicContact CD1-CD2 4.03Å; L187-L425 HydrophobicContact CD2-CD2 4.01Å; L187-L425 WeakPolarHBondContact CD2-O 3.23Å; I381-L425 HydrophobicContact CD1-CD2 3.72Å; I381-L425 HydrophobicContact CD1-CG 3.83Å; I381-L425 HydrophobicContact CG2-CD2 3.94Å; T421-L425 HydrophobicContact CG2-CD1 4.46Å; T421-L425 PolarHBondContact O-N 3.18Å; I422-L425 WeakPolarHBondContact O-CB 3.45Å; I422-L425 PolarHBondContact O-N 3.05Å; L425-L427 VanDerWaalsContact C-N 3.35Å; L425-L427 PolarHBondContact O-N 3.4Å; L425-C428 PolarHBondContact O-N 3.41Å; L425-A429 PolarHBondContact O-N 2.94Å; L425-M469 HydrophobicContact CB-CE 4.36Å; L425-M469 HydrophobicContact CB-SD 4.09Å; L425-M469 WeakPolarHBondContact O-CE 3.46Å; L425-F473 HydrophobicContact CD1-CB 4.42Å; L425-F473 HydrophobicContact CD1-CD2 4.36Å; L425-L476 HydrophobicContact CD1-CD1 4.31Å
426C96.5Very high92.4Very high6 Ų628 Ų284%0.04114%0.136CC..Hα-helixtrans-57.9-45.5175.4-72.90000111.6I422 C428 A429 Y430I422-C426 WeakPolarHBondContact O-CB 3.17Å; I422-C426 PolarHBondContact O-N 2.96Å; I422-C426 PolarHBondContact O-SG 2.75Å; I422-C426 VanDerWaalsContact O-SG 3.4Å; C426-C428 VanDerWaalsContact C-N 3.31Å; C426-C428 PolarHBondContact O-N 3.05Å; C426-A429 PolarHBondContact O-N 2.8Å; C426-Y430 HydrophobicContact CB-CD2 4.08Å; C426-Y430 HydrophobicContact CB-CE2 3.75Å; C426-Y430 WeakPolarHBondContact O-CB 3.37Å; C426-Y430 WeakPolarHBondContact O-CD2 3.38Å; C426-Y430 PolarHBondContact O-N 2.75Å
427L95.6Very high91Very high70 Ų7027.6 Ų27.637%0.36613%0.128SC..Hα-helixtrans-58.8-44.2177.5-175.3155.6000111V194 M374 M423 Y424 L425 Y431V194-L427 HydrophobicContact CB-CD2 4.37Å; V194-L427 HydrophobicContact CG1-CD2 3.46Å; V194-L427 VanDerWaalsContact CG1-CD2 3.46Å; V194-L427 HydrophobicContact CG2-CD2 3.99Å; M374-L427 HydrophobicContact CE-CD1 4.22Å; M374-L427 HydrophobicContact CE-CD2 4.46Å; M423-L427 VanDerWaalsContact O-CB 3.23Å; M423-L427 WeakPolarHBondContact O-CB 3.39Å; M423-L427 PolarHBondContact O-N 3.4Å; Y424-L427 PolarHBondContact O-N 3.44Å; L425-L427 VanDerWaalsContact C-N 3.35Å; L425-L427 PolarHBondContact O-N 3.4Å; L427-Y431 WeakPolarHBondContact O-CA 3.38Å; L427-Y431 WeakPolarHBondContact O-CB 3.14Å; L427-Y431 PolarHBondContact O-N 3.27Å
428C96.2Very high89.6Confident0 Ų029.4 Ų29.40%014%0.141CC..Hα-helixtrans-65-50.8178.9-68.20000112.3L187 L191 Y424 L425 C426 T432L187-C428 HydrophobicContact CD2-CB 3.96Å; L191-C428 HydrophobicContact CD2-CB 4.4Å; L191-C428 HydrophobicContact CG-CB 4.45Å; Y424-C428 PolarHBondContact O-N 2.96Å; Y424-C428 PolarHBondContact O-SG 2.89Å; L425-C428 PolarHBondContact O-N 3.41Å; C426-C428 VanDerWaalsContact C-N 3.31Å; C426-C428 PolarHBondContact O-N 3.05Å; C428-T432 PolarHBondContact O-N 3.27Å; C428-T432 PolarHBondContact O-OG1 3.39Å
429A94.6Very high87.9Confident0 Ų038.4 Ų38.40%018%0.176CC..Hα-helixtrans-64.3-47.3179.700000111.4L183 L186 L187 L425 C426 T432 V433 M469L183-A429 HydrophobicContact CD1-CB 4.31Å; L186-A429 HydrophobicContact CB-CB 4.46Å; L187-A429 HydrophobicContact CD2-CB 3.98Å; L187-A429 HydrophobicContact CG-CB 4.34Å; L425-A429 PolarHBondContact O-N 2.94Å; C426-A429 PolarHBondContact O-N 2.8Å; A429-T432 WeakPolarHBondContact O-CB 3.32Å; A429-T432 PolarHBondContact O-N 2.91Å; A429-V433 WeakPolarHBondContact O-CG2 3.09Å; A429-V433 PolarHBondContact O-N 3.44Å; A429-M469 HydrophobicContact CB-CE 3.2Å
430Y91.8Very high86.4Confident18 Ų1842.7 Ų42.77%0.07119%0.19CC..Hα-helixtrans-70-36.1-177.5-58.2-16.1000111.4A45 F46 C426 T432 V433 F434 F462A45-Y430 PolarHBondContact O-OH 3.16Å; A45-Y430 VanDerWaalsContact O-OH 3.05Å; F46-Y430 HydrophobicContact CD1-CD2 4.49Å; F46-Y430 AromaticContact CD1-CE2 3.78Å; F46-Y430 HydrophobicContact CD1-CE2 3.78Å; F46-Y430 AromaticContact CE1-CD2 3.85Å; F46-Y430 HydrophobicContact CE1-CD2 3.85Å; F46-Y430 AromaticContact CE1-CE2 3.53Å; F46-Y430 HydrophobicContact CE1-CE2 3.53Å; C426-Y430 HydrophobicContact CB-CD2 4.08Å; C426-Y430 HydrophobicContact CB-CE2 3.75Å; C426-Y430 WeakPolarHBondContact O-CB 3.37Å; C426-Y430 WeakPolarHBondContact O-CD2 3.38Å; C426-Y430 PolarHBondContact O-N 2.75Å; Y430-T432 PolarHBondContact O-N 3.49Å; Y430-V433 CarbonylContact O-C 3.49Å; Y430-V433 WeakPolarHBondContact O-CA 3.32Å; Y430-V433 WeakPolarHBondContact O-CB 3.35Å; Y430-V433 PolarHBondContact O-N 2.9Å; Y430-F434 VanDerWaalsContact O-CD2 3.25Å; Y430-F434 WeakPolarHBondContact O-CD2 3.41Å; Y430-F434 PolarHBondContact O-N 3.45Å; Y430-F462 AromaticContact CD1-CD1 3.62Å; Y430-F462 HydrophobicContact CD1-CD1 3.62Å; Y430-F462 AromaticContact CD1-CE1 3.31Å; Y430-F462 HydrophobicContact CD1-CE1 3.31Å; Y430-F462 HydrophobicContact CD1-CZ 4.2Å; Y430-F462 HydrophobicContact CD2-CE1 4.43Å; Y430-F462 AromaticContact CE1-CD1 3.56Å; Y430-F462 HydrophobicContact CE1-CD1 3.56Å; Y430-F462 AromaticContact CE1-CE1 3.77Å; Y430-F462 HydrophobicContact CE1-CE1 3.77Å; Y430-F462 HydrophobicContact CE1-CG 4.38Å; Y430-F462 HydrophobicContact CG-CD1 4.36Å; Y430-F462 AromaticContact CG-CE1 3.7Å; Y430-F462 HydrophobicContact CG-CE1 3.7Å; Y430-F462 HydrophobicContact CG-CZ 4.16Å
431Y90.3Very high85Confident44 Ų4445 Ų4517%0.17320%0.196CC..Hα-helixtrans-53.6-45.4171.4173-94.1000111.4E193 V194 N197 L427 F434 R435E193-Y431 HydrophobicContact CB-CE1 4.22Å; E193-Y431 HydrophobicContact CG-CE1 4Å; V194-Y431 HydrophobicContact CG2-CD1 3.38Å; V194-Y431 HydrophobicContact CG2-CD2 4.11Å; V194-Y431 HydrophobicContact CG2-CE1 4.05Å; V194-Y431 HydrophobicContact CG2-CG 3.41Å; V194-Y431 VanDerWaalsContact CG2-CG 3.41Å; N197-Y431 WeakPolarHBondContact CB-OH 3.15Å; N197-Y431 PolarHBondContact ND2-OH 3.48Å; L427-Y431 WeakPolarHBondContact O-CA 3.38Å; L427-Y431 WeakPolarHBondContact O-CB 3.14Å; L427-Y431 PolarHBondContact O-N 3.27Å; Y431-F434 PolarHBondContact O-N 3.46Å; Y431-R435 HydrophobicContact CD1-CG 4.36Å; Y431-R435 HydrophobicContact CD2-CG 4.5Å; Y431-R435 HydrophobicContact CE1-CG 3.94Å; Y431-R435 HydrophobicContact CE2-CG 4.08Å; Y431-R435 WeakPolarHBondContact O-CB 3.5Å; Y431-R435 WeakPolarHBondContact O-CG 3.34Å; Y431-R435 PolarHBondContact O-N 3.26Å; Y431-R435 VanDerWaalsContact O-N 3.09Å; Y431-R435 PolarHBondContact OH-NE 3.41Å
432T89.6Confident84.2Confident0 Ų045 Ų450%020%0.196CC..Hα-helixtrans-62.3-45.4175.4-51.10000110.5L186 Y189 G190 C428 A429 Y430 F434 R435 L436 F651L186-T432 HydrophobicContact CB-CG2 4.45Å; L186-T432 HydrophobicContact CD2-CG2 3.52Å; L186-T432 PolarHBondContact O-OG1 3.33Å; Y189-T432 HydrophobicContact CD1-CG2 3.62Å; Y189-T432 HydrophobicContact CE1-CG2 4.37Å; Y189-T432 HydrophobicContact CG-CG2 4.22Å; G190-T432 VanDerWaalsContact CA-OG1 3.26Å; G190-T432 WeakPolarHBondContact CA-OG1 3.29Å; G190-T432 PolarHBondContact N-OG1 2.98Å; C428-T432 PolarHBondContact O-N 3.27Å; C428-T432 PolarHBondContact O-OG1 3.39Å; A429-T432 WeakPolarHBondContact O-CB 3.32Å; A429-T432 PolarHBondContact O-N 2.91Å; Y430-T432 PolarHBondContact O-N 3.49Å; T432-F434 PolarHBondContact O-N 2.81Å; T432-R435 CarbonylContact O-C 3.25Å; T432-R435 PolarHBondContact O-N 2.95Å; T432-R435 VanDerWaalsContact O-N 3.08Å; T432-L436 WeakPolarHBondContact O-CB 3.26Å; T432-L436 PolarHBondContact O-N 3.12Å; T432-F651 HydrophobicContact CG2-CD2 4.45Å; T432-F651 HydrophobicContact CG2-CE2 4.06Å
433V87.4Confident83.2Confident0 Ų045.4 Ų45.40%020%0.197CC..Hα-helixtrans-56-47.5176.31740000112.3L186 A429 Y430 R435 L436 Y442 L461 F462 L465L186-V433 HydrophobicContact CD1-CG2 3.8Å; L186-V433 HydrophobicContact CD2-CG2 4.18Å; A429-V433 WeakPolarHBondContact O-CG2 3.09Å; A429-V433 PolarHBondContact O-N 3.44Å; Y430-V433 CarbonylContact O-C 3.49Å; Y430-V433 WeakPolarHBondContact O-CA 3.32Å; Y430-V433 WeakPolarHBondContact O-CB 3.35Å; Y430-V433 PolarHBondContact O-N 2.9Å; V433-R435 PolarHBondContact O-N 2.91Å; V433-L436 PolarHBondContact O-N 2.94Å; V433-Y442 HydrophobicContact CG1-CE1 4.44Å; V433-Y442 WeakPolarHBondContact CG1-OH 3.37Å; V433-Y442 VanDerWaalsContact O-CE1 3.29Å; V433-Y442 WeakPolarHBondContact O-CE1 3.48Å; V433-Y442 PolarHBondContact O-OH 3.08Å; V433-L461 HydrophobicContact CB-CD2 4.32Å; V433-L461 HydrophobicContact CG1-CD2 3.9Å; V433-L461 HydrophobicContact CG2-CD2 3.54Å; V433-L461 HydrophobicContact CG2-CG 4.21Å; V433-F462 HydrophobicContact CB-CE1 4.11Å; V433-F462 HydrophobicContact CG1-CE1 3.75Å; V433-F462 HydrophobicContact CG1-CZ 4.19Å; V433-F462 HydrophobicContact CG2-CE1 4.26Å; V433-L465 HydrophobicContact CG2-CD1 4.21Å
434F81.7Confident82.3Confident50 Ų5041.4 Ų41.422%0.21918%0.178CC..Hα-helixtrans-68.3-21178.1-82.4-86.9000113.9V20 Y24 Y430 Y431 T432 L444 F462V20-F434 HydrophobicContact CG1-CZ 4.45Å; Y24-F434 HydrophobicContact CD1-CE1 4.22Å; Y24-F434 AromaticContact CD2-CE1 3.93Å; Y24-F434 HydrophobicContact CD2-CE1 3.93Å; Y24-F434 AromaticContact CE1-CD1 3.87Å; Y24-F434 HydrophobicContact CE1-CD1 3.87Å; Y24-F434 AromaticContact CE1-CE1 3.75Å; Y24-F434 HydrophobicContact CE1-CE1 3.75Å; Y24-F434 HydrophobicContact CE2-CD1 4.22Å; Y24-F434 AromaticContact CE2-CE1 3.44Å; Y24-F434 HydrophobicContact CE2-CE1 3.44Å; Y24-F434 VanDerWaalsContact CE2-CE1 3.44Å; Y24-F434 HydrophobicContact CE2-CZ 4.14Å; Y24-F434 HydrophobicContact CG-CE1 4.32Å; Y24-F434 AromaticContact CZ-CD1 3.64Å; Y24-F434 AromaticContact CZ-CE1 3.33Å; Y430-F434 VanDerWaalsContact O-CD2 3.25Å; Y430-F434 WeakPolarHBondContact O-CD2 3.41Å; Y430-F434 PolarHBondContact O-N 3.45Å; Y431-F434 PolarHBondContact O-N 3.46Å; T432-F434 PolarHBondContact O-N 2.81Å; F434-L444 HydrophobicContact CD1-CB 3.75Å; F434-L444 HydrophobicContact CD1-CD1 3.49Å; F434-L444 VanDerWaalsContact CD1-CD1 3.49Å; F434-L444 HydrophobicContact CD1-CG 4.2Å; F434-L444 HydrophobicContact CD2-CD1 4.43Å; F434-L444 HydrophobicContact CE1-CB 4.17Å; F434-L444 HydrophobicContact CE1-CD1 3.56Å; F434-L444 HydrophobicContact CE1-CG 4.31Å; F434-L444 HydrophobicContact CE2-CD1 4.49Å; F434-L444 HydrophobicContact CG-CD1 3.95Å; F434-L444 HydrophobicContact CZ-CD1 4.07Å; F434-F462 AromaticContact CE2-CZ 3.87Å; F434-F462 HydrophobicContact CE2-CZ 3.87Å; F434-F462 HydrophobicContact CZ-CZ 4.48Å
435R75.8Confident81.3Confident70 Ų7042 Ų4226%0.26418%0.182SC..Hα-helixtrans-94.7-22.9178.1-77.5-69.5-159.4-148.3-5113.6Y431 T432 V433 K437Y431-R435 HydrophobicContact CD1-CG 4.36Å; Y431-R435 HydrophobicContact CD2-CG 4.5Å; Y431-R435 HydrophobicContact CE1-CG 3.94Å; Y431-R435 HydrophobicContact CE2-CG 4.08Å; Y431-R435 WeakPolarHBondContact O-CB 3.5Å; Y431-R435 WeakPolarHBondContact O-CG 3.34Å; Y431-R435 PolarHBondContact O-N 3.26Å; Y431-R435 VanDerWaalsContact O-N 3.09Å; Y431-R435 PolarHBondContact OH-NE 3.41Å; T432-R435 CarbonylContact O-C 3.25Å; T432-R435 PolarHBondContact O-N 2.95Å; T432-R435 VanDerWaalsContact O-N 3.08Å; V433-R435 PolarHBondContact O-N 2.91Å; R435-K437 PolarHBondContact O-N 3.41Å; R435-K437 VanDerWaalsContact O-N 3.11Å
436L71.4Confident80.2Confident15 Ų1544.2 Ų44.28%0.07920%0.197CC..  trans-71.6109-175-172.7154.8000107.4L186 T432 V433 V438 Y442 F651L186-L436 HydrophobicContact CD2-CD1 3.85Å; T432-L436 WeakPolarHBondContact O-CB 3.26Å; T432-L436 PolarHBondContact O-N 3.12Å; V433-L436 PolarHBondContact O-N 2.94Å; L436-V438 HydrophobicContact CD2-CB 4.43Å; L436-V438 HydrophobicContact CD2-CG2 3.12Å; L436-V438 HydrophobicContact CG-CG2 4.29Å; L436-Y442 HydrophobicContact CD2-CD1 3.72Å; L436-Y442 HydrophobicContact CD2-CE1 4.08Å; L436-Y442 WeakPolarHBondContact O-CD1 3.48Å; L436-Y442 VanDerWaalsContact O-CE1 3.3Å; L436-Y442 WeakPolarHBondContact O-CE1 3.46Å; L436-F651 HydrophobicContact CD1-CE1 4.23Å; L436-F651 HydrophobicContact CD1-CZ 4.44Å; L436-F651 HydrophobicContact CG-CD1 4.33Å; L436-F651 HydrophobicContact CG-CE1 4.29Å
437K66.9Low79.3Confident64 Ų6449.4 Ų49.428%0.27822%0.221SC..  trans-96.4124.4163.6-72.4176.6171.8-165.70105.5E221 R435 Y442 L654E221-K437 IonicContact OE1-NZ 2.67Å; R435-K437 PolarHBondContact O-N 3.41Å; R435-K437 VanDerWaalsContact O-N 3.11Å; K437-Y442 WeakPolarHBondContact CA-O 3.27Å; K437-L654 CarbonylContact C-O 3.46Å; K437-L654 VanDerWaalsContact C-O 3.25Å; K437-L654 WeakPolarHBondContact CB-O 3.38Å; K437-L654 WeakPolarHBondContact CB-OXT 3.48Å; K437-L654 VanDerWaalsContact CD-OXT 3.28Å; K437-L654 WeakPolarHBondContact CD-OXT 3.09Å; K437-L654 CarbonylContact O-C 3.31Å; K437-L654 VanDerWaalsContact O-C 3.31Å; K437-L654 WeakPolarHBondContact O-CB 3.41Å; K437-L654 VanDerWaalsContact O-O 3.06Å
438V66.1Low78.3Confident70 Ų7049 Ų4942%0.42422%0.217SC..BIsolated β-bridgetrans-10784.3168.6-172.20000106.2L436 Y441 Y442L436-V438 HydrophobicContact CD2-CB 4.43Å; L436-V438 HydrophobicContact CD2-CG2 3.12Å; L436-V438 HydrophobicContact CG-CG2 4.29Å; V438-Y441 WeakPolarHBondContact O-CB 3.5Å; V438-Y441 PolarHBondContact O-N 2.88Å; V438-Y442 PolarHBondContact N-O 2.88Å
439Y61.7Low77.4Confident188 Ų18851.9 Ų51.974%0.73723%0.23SC*.THydrogen-bonded Turntrans53.2-147.8-176.7-163.3-111.5000109.8Y441 L654Y439-Y441 PolarHBondContact O-N 3.36Å; Y439-L654 PolarHBondContact N-O 2.88Å
440R65.1Low76.9Confident128 Ų12852 Ų5248%0.48323%0.231SC..THydrogen-bonded Turntrans-78.610.5174.5-57.4-176.3-177.4-179.90.5114.3D224D224-R440 IonicContact OD2-NH2 3.18Å
441Y69.2Low76.4Confident109 Ų10952.8 Ų52.843%0.42724%0.236SC..THydrogen-bonded Turntrans-90.4-37.5-173.9-177.1-102000114.1Q116 V438 Y439 N453 F457Q116-Y441 PolarHBondContact NE2-OH 3.41Å; V438-Y441 WeakPolarHBondContact O-CB 3.5Å; V438-Y441 PolarHBondContact O-N 2.88Å; Y439-Y441 PolarHBondContact O-N 3.36Å; Y441-N453 PolarHBondContact O-ND2 2.93Å; Y441-F457 AromaticContact CE1-CD2 3.72Å; Y441-F457 HydrophobicContact CE1-CD2 3.72Å; Y441-F457 AromaticContact CE1-CE2 3.8Å; Y441-F457 HydrophobicContact CE1-CE2 3.8Å; Y441-F457 HydrophobicContact CE1-CG 4.45Å
442Y79.3Confident76.3Confident0 Ų052.7 Ų52.70%024%0.238CC..BIsolated β-bridgetrans-140.8127.8-176.3172.7-112.5000111V433 L436 K437 V438 L444 S454 F457V433-Y442 HydrophobicContact CG1-CE1 4.44Å; V433-Y442 WeakPolarHBondContact CG1-OH 3.37Å; V433-Y442 VanDerWaalsContact O-CE1 3.29Å; V433-Y442 WeakPolarHBondContact O-CE1 3.48Å; V433-Y442 PolarHBondContact O-OH 3.08Å; L436-Y442 HydrophobicContact CD2-CD1 3.72Å; L436-Y442 HydrophobicContact CD2-CE1 4.08Å; L436-Y442 WeakPolarHBondContact O-CD1 3.48Å; L436-Y442 VanDerWaalsContact O-CE1 3.3Å; L436-Y442 WeakPolarHBondContact O-CE1 3.46Å; K437-Y442 WeakPolarHBondContact CA-O 3.27Å; V438-Y442 PolarHBondContact N-O 2.88Å; Y442-L444 HydrophobicContact CE2-CD1 4.37Å; Y442-L444 HydrophobicContact CE2-CG 4.16Å; Y442-L444 WeakPolarHBondContact OH-CD1 3.26Å; Y442-S454 WeakPolarHBondContact CE2-O 3.49Å; Y442-F457 AromaticContact CD1-CD1 3.96Å; Y442-F457 HydrophobicContact CD1-CD1 3.96Å; Y442-F457 AromaticContact CD1-CE1 3.97Å; Y442-F457 HydrophobicContact CD1-CE1 3.97Å; Y442-F457 HydrophobicContact CD2-CB 3.83Å; Y442-F457 AromaticContact CD2-CD1 3.23Å; Y442-F457 HydrophobicContact CD2-CD1 3.23Å; Y442-F457 HydrophobicContact CD2-CE1 4.06Å; Y442-F457 AromaticContact CD2-CG 3.86Å; Y442-F457 HydrophobicContact CD2-CG 3.86Å; Y442-F457 HydrophobicContact CE1-CD1 4.24Å; Y442-F457 HydrophobicContact CE1-CE1 4.34Å; Y442-F457 HydrophobicContact CE2-CB 4.27Å; Y442-F457 AromaticContact CE2-CD1 3.59Å; Y442-F457 HydrophobicContact CE2-CD1 3.59Å; Y442-F457 HydrophobicContact CE2-CE1 4.46Å; Y442-F457 HydrophobicContact CE2-CG 4.4Å; Y442-F457 AromaticContact CG-CD1 3.42Å; Y442-F457 HydrophobicContact CG-CD1 3.42Å; Y442-F457 VanDerWaalsContact CG-CD1 3.42Å; Y442-F457 AromaticContact CG-CE1 3.78Å; Y442-F457 HydrophobicContact CG-CE1 3.78Å; Y442-F457 HydrophobicContact CG-CG 4.24Å
443H77.5Confident76.2Confident13 Ų1353.1 Ų53.16%0.0624%0.24CC..  trans-158.5144.6175.155-77000110.2R305 D445 D451 S454R305-H443 WeakPolarHBondContact CD-NE2 3.45Å; R305-H443 PolarHBondContact NH1-CE1 2.83Å; R305-H443 PolarHBondContact NH1-NE2 3.27Å; H443-D445 IonicContact CD2-OD2 3.03Å; H443-D445 PolarHBondContact CD2-OD2 2.98Å; H443-D445 IonicContact CG-OD2 3.06Å; H443-D445 IonicContact NE2-OD2 2.63Å; H443-D451 IonicContact CE1-OD1 2.78Å; H443-D451 PolarHBondContact CE1-OD1 3.13Å; H443-D451 IonicContact NE2-OD1 2.98Å; H443-D451 PolarHBondContact NE2-OD1 3.12Å; H443-S454 PolarHBondContact CE1-OG 3.49Å; H443-S454 PolarHBondContact N-OG 3.01Å; H443-S454 VanDerWaalsContact N-OG 3.16Å; H443-S454 PolarHBondContact ND1-OG 2.87Å; H443-S454 WeakPolarHBondContact O-CB 3.32Å; H443-S454 PolarHBondContact O-OG 3.28Å
444L77.8Confident76.3Confident15 Ų1553.1 Ų53.18%0.07924%0.24CC..  trans-114105.3174.2-81.2167.7000109.9Y24 F434 Y442 T450Y24-L444 HydrophobicContact CD1-CB 4.28Å; Y24-L444 HydrophobicContact CE1-CB 4.34Å; F434-L444 HydrophobicContact CD1-CB 3.75Å; F434-L444 HydrophobicContact CD1-CD1 3.49Å; F434-L444 VanDerWaalsContact CD1-CD1 3.49Å; F434-L444 HydrophobicContact CD1-CG 4.2Å; F434-L444 HydrophobicContact CD2-CD1 4.43Å; F434-L444 HydrophobicContact CE1-CB 4.17Å; F434-L444 HydrophobicContact CE1-CD1 3.56Å; F434-L444 HydrophobicContact CE1-CG 4.31Å; F434-L444 HydrophobicContact CE2-CD1 4.49Å; F434-L444 HydrophobicContact CG-CD1 3.95Å; F434-L444 HydrophobicContact CZ-CD1 4.07Å; Y442-L444 HydrophobicContact CE2-CD1 4.37Å; Y442-L444 HydrophobicContact CE2-CG 4.16Å; Y442-L444 WeakPolarHBondContact OH-CD1 3.26Å; L444-T450 HydrophobicContact CD2-CG2 3.7Å
445D75.8Confident76.7Confident22 Ų2250.7 Ų50.712%0.11823%0.229CC..  trans-107.2125.1-177.3-75.6-42.7000112.4R305 Q309 H443 H449 T450R305-D445 WeakPolarHBondContact CD-OD2 3.18Å; R305-D445 WeakPolarHBondContact CG-OD2 3.46Å; R305-D445 IonicContact NE-OD2 3.94Å; Q309-D445 PolarHBondContact NE2-OD1 2.96Å; Q309-D445 PolarHBondContact NE2-OD2 2.68Å; H443-D445 IonicContact CD2-OD2 3.03Å; H443-D445 PolarHBondContact CD2-OD2 2.98Å; H443-D445 IonicContact CG-OD2 3.06Å; H443-D445 IonicContact NE2-OD2 2.63Å; D445-H449 HydrophobicContact CB-CB 4.33Å; D445-T450 PolarHBondContact N-OG1 2.98Å; D445-T450 PolarHBondContact O-N 3.17Å; D445-T450 PolarHBondContact O-OG1 2.94Å
446S74.9Confident77.5Confident46 Ų4647.4 Ų47.432%0.32222%0.217SC..THydrogen-bonded Turntrans-64.4165.1173.8620000112.4Q23Q23-S446 CarbonylContact O-C 3.57Å
447H75.9Confident78.5Confident115 Ų11548.6 Ų48.653%0.53222%0.221SC..THydrogen-bonded Turntrans72.536.9-179.8-49.383.5000113.8Q23 H449Q23-H447 PolarHBondContact O-N 3.46Å; H447-H449 VanDerWaalsContact C-N 3.27Å; H447-H449 PolarHBondContact O-CD2 3.34Å; H447-H449 PolarHBondContact O-N 3.44Å
448H75.6Confident79.7Confident63 Ų6345.5 Ų45.529%0.29221%0.208SC..THydrogen-bonded Turntrans66.719.5175.9-48.6-87.2000115.4H22 Q23 Y24 G25 D26H22-H448 AromaticContact CD2-CE1 3.86Å; H22-H448 AromaticContact CE1-CE1 3.48Å; H22-H448 PolarHBondContact CE1-CE1 3.35Å; H22-H448 VanDerWaalsContact CE1-CE1 3.48Å; H22-H448 AromaticContact CG-CE1 3.87Å; H22-H448 AromaticContact ND1-CE1 3.64Å; H22-H448 AromaticContact NE2-CE1 3.63Å; H22-H448 AromaticContact NE2-NE2 3.88Å; H22-H448 PolarHBondContact O-CE1 3.19Å; H22-H448 PolarHBondContact O-ND1 3.31Å; Q23-H448 PolarHBondContact O-N 2.93Å; Y24-H448 CarbonylContact O-C 3.45Å; Y24-H448 VanDerWaalsContact O-CA 3.3Å; Y24-H448 WeakPolarHBondContact O-CA 3.37Å; G25-H448 PolarHBondContact O-ND1 3.42Å; D26-H448 HydrophobicContact CB-CB 3.83Å
449H77.2Confident81.1Confident59 Ų5942.2 Ų42.227%0.27319%0.188SC..THydrogen-bonded Turntrans-101.11-178-74.5-74.9000114.5R305 A308 D445 H447 D451R305-H449 HydrophobicContact CG-CB 4.33Å; A308-H449 WeakPolarHBondContact CB-CD2 3.27Å; A308-H449 WeakPolarHBondContact CB-CE1 3.4Å; A308-H449 WeakPolarHBondContact CB-NE2 3.27Å; D445-H449 HydrophobicContact CB-CB 4.33Å; H447-H449 VanDerWaalsContact C-N 3.27Å; H447-H449 PolarHBondContact O-CD2 3.34Å; H447-H449 PolarHBondContact O-N 3.44Å; H449-D451 PolarHBondContact O-N 2.64Å
450T83.2Confident82.7Confident4 Ų433.4 Ų33.43%0.02515%0.154CC..  trans-66.6126.4172.3-59.20000109.7Y24 Q30 L444 D445 L455Y24-T450 WeakPolarHBondContact O-CB 3.49Å; Y24-T450 PolarHBondContact O-N 2.67Å; Y24-T450 PolarHBondContact O-OG1 3.16Å; Q30-T450 PolarHBondContact NE2-O 2.76Å; L444-T450 HydrophobicContact CD2-CG2 3.7Å; D445-T450 PolarHBondContact N-OG1 2.98Å; D445-T450 PolarHBondContact O-N 3.17Å; D445-T450 PolarHBondContact O-OG1 2.94Å; T450-L455 HydrophobicContact CG2-CB 4.06Å; T450-L455 HydrophobicContact CG2-CD1 4.24Å
451D83Confident84Confident33 Ų3327.8 Ų27.818%0.17613%0.133CC..  trans-72.8157.9175.668.4-47.9000111.8H443 H449 N453 S454 L455H443-D451 IonicContact CE1-OD1 2.78Å; H443-D451 PolarHBondContact CE1-OD1 3.13Å; H443-D451 IonicContact NE2-OD1 2.98Å; H443-D451 PolarHBondContact NE2-OD1 3.12Å; H449-D451 PolarHBondContact O-N 2.64Å; D451-N453 PolarHBondContact O-N 2.97Å; D451-N453 WeakPolarHBondContact OD2-CB 3.08Å; D451-S454 PolarHBondContact O-N 3.2Å; D451-S454 WeakPolarHBondContact OD1-CB 3.46Å; D451-S454 PolarHBondContact OD1-N 2.63Å; D451-S454 PolarHBondContact OD1-OG 3.07Å; D451-S454 PolarHBondContact OD2-N 3.25Å; D451-L455 WeakPolarHBondContact O-CB 3.42Å; D451-L455 PolarHBondContact O-N 2.81Å
452E87.1Confident85.2Confident43 Ų4322.6 Ų22.620%0.20111%0.113CC..Hα-helixtrans-57.9-36.5-179.7-67.5-176.9171.300112.2Q30 H31 V34 S119 L456Q30-E452 WeakPolarHBondContact CA-OE1 3.35Å; Q30-E452 HydrophobicContact CB-CG 4.23Å; Q30-E452 HydrophobicContact CG-CG 3.98Å; H31-E452 PolarHBondContact N-OE1 3.42Å; V34-E452 HydrophobicContact CG1-CB 4.15Å; V34-E452 HydrophobicContact CG1-CG 4.22Å; S119-E452 WeakPolarHBondContact CB-OE2 3.38Å; S119-E452 VanDerWaalsContact OG-CB 3.3Å; S119-E452 WeakPolarHBondContact OG-CB 3.3Å; S119-E452 PolarHBondContact OG-OE2 2.91Å; E452-L456 WeakPolarHBondContact O-CB 3.3Å; E452-L456 WeakPolarHBondContact O-CD1 3.35Å; E452-L456 WeakPolarHBondContact O-CG 3.19Å; E452-L456 PolarHBondContact O-N 3.18Å
453N87.6Confident85.9Confident8 Ų822.6 Ų22.64%0.04311%0.113CC..Hα-helixtrans-67.6-46.3-178.8163.885000111.8Q116 N120 Y441 D451 L455 L456 F457Q116-N453 WeakPolarHBondContact CG-OD1 3.4Å; Q116-N453 PolarHBondContact NE2-OD1 3.19Å; N120-N453 PolarHBondContact ND2-OD1 3.44Å; Y441-N453 PolarHBondContact O-ND2 2.93Å; D451-N453 PolarHBondContact O-N 2.97Å; D451-N453 WeakPolarHBondContact OD2-CB 3.08Å; N453-L455 VanDerWaalsContact C-N 3.34Å; N453-L456 PolarHBondContact O-N 3.43Å; N453-F457 WeakPolarHBondContact O-CB 3.25Å; N453-F457 PolarHBondContact O-N 3.37Å
454S88.9Confident86.7Confident0 Ų023.9 Ų23.90%012%0.117CC..Hα-helixtrans-68.5-35.4177.2-56.10000112.4Y442 H443 D451 F457 S458Y442-S454 WeakPolarHBondContact CE2-O 3.49Å; H443-S454 PolarHBondContact CE1-OG 3.49Å; H443-S454 PolarHBondContact N-OG 3.01Å; H443-S454 VanDerWaalsContact N-OG 3.16Å; H443-S454 PolarHBondContact ND1-OG 2.87Å; H443-S454 WeakPolarHBondContact O-CB 3.32Å; H443-S454 PolarHBondContact O-OG 3.28Å; D451-S454 PolarHBondContact O-N 3.2Å; D451-S454 WeakPolarHBondContact OD1-CB 3.46Å; D451-S454 PolarHBondContact OD1-N 2.63Å; D451-S454 PolarHBondContact OD1-OG 3.07Å; D451-S454 PolarHBondContact OD2-N 3.25Å; S454-F457 PolarHBondContact O-N 2.91Å; S454-S458 PolarHBondContact O-N 2.92Å
455L90.9Very high87.4Confident0 Ų023.1 Ų23.10%011%0.113CC..Hα-helixtrans-61.3-48.6175.1-166.175.7000111.1L21 V34 T38 W42 T450 D451 N453 F457 S458 A459L21-L455 HydrophobicContact CD1-CD1 3.75Å; L21-L455 HydrophobicContact CD1-CD2 3.78Å; L21-L455 HydrophobicContact CD1-CG 4.32Å; V34-L455 HydrophobicContact CG1-CD2 4.23Å; T38-L455 HydrophobicContact CG2-CD1 3.87Å; T38-L455 HydrophobicContact CG2-CD2 3.83Å; T38-L455 HydrophobicContact CG2-CG 3.56Å; T38-L455 WeakPolarHBondContact OG1-CD2 3.46Å; W42-L455 HydrophobicContact CH2-CD1 3.63Å; W42-L455 HydrophobicContact CZ2-CD1 3.55Å; T450-L455 HydrophobicContact CG2-CB 4.06Å; T450-L455 HydrophobicContact CG2-CD1 4.24Å; D451-L455 WeakPolarHBondContact O-CB 3.42Å; D451-L455 PolarHBondContact O-N 2.81Å; N453-L455 VanDerWaalsContact C-N 3.34Å; L455-F457 VanDerWaalsContact C-N 3.33Å; L455-F457 PolarHBondContact O-N 3.19Å; L455-S458 PolarHBondContact O-N 3.45Å; L455-S458 PolarHBondContact O-OG 3.27Å; L455-A459 PolarHBondContact O-N 3.32Å
456L93Very high88.3Confident0 Ų022.3 Ų22.30%011%0.109CC..Hα-helixtrans-63.6-38.5176.1-70.4169.3000112.1V34 L112 M115 Q116 E452 N453 A459 I460V34-L456 HydrophobicContact CG1-CD1 4.18Å; V34-L456 HydrophobicContact CG1-CD2 3.95Å; V34-L456 HydrophobicContact CG1-CG 3.86Å; V34-L456 HydrophobicContact CG2-CD1 4.23Å; L112-L456 HydrophobicContact CD2-CD2 3.64Å; M115-L456 HydrophobicContact CB-CD1 3.88Å; M115-L456 HydrophobicContact CB-CD2 4.22Å; Q116-L456 HydrophobicContact CB-CB 4.28Å; Q116-L456 HydrophobicContact CB-CD1 4.2Å; E452-L456 WeakPolarHBondContact O-CB 3.3Å; E452-L456 WeakPolarHBondContact O-CD1 3.35Å; E452-L456 WeakPolarHBondContact O-CG 3.19Å; E452-L456 PolarHBondContact O-N 3.18Å; N453-L456 PolarHBondContact O-N 3.43Å; L456-A459 WeakPolarHBondContact O-CB 3.44Å; L456-A459 PolarHBondContact O-N 2.94Å; L456-I460 VanDerWaalsContact O-CG1 3.28Å; L456-I460 WeakPolarHBondContact O-CG1 3.3Å; L456-I460 PolarHBondContact O-N 2.63Å
457F91.8Very high89.1Confident40 Ų4020.3 Ų20.318%0.17510%0.095CC..Hα-helixtrans-62.7-43.1175.3-173.5-92.7000112Y441 Y442 N453 S454 L455 A459 I460 L461Y441-F457 AromaticContact CE1-CD2 3.72Å; Y441-F457 HydrophobicContact CE1-CD2 3.72Å; Y441-F457 AromaticContact CE1-CE2 3.8Å; Y441-F457 HydrophobicContact CE1-CE2 3.8Å; Y441-F457 HydrophobicContact CE1-CG 4.45Å; Y442-F457 AromaticContact CD1-CD1 3.96Å; Y442-F457 HydrophobicContact CD1-CD1 3.96Å; Y442-F457 AromaticContact CD1-CE1 3.97Å; Y442-F457 HydrophobicContact CD1-CE1 3.97Å; Y442-F457 HydrophobicContact CD2-CB 3.83Å; Y442-F457 AromaticContact CD2-CD1 3.23Å; Y442-F457 HydrophobicContact CD2-CD1 3.23Å; Y442-F457 HydrophobicContact CD2-CE1 4.06Å; Y442-F457 AromaticContact CD2-CG 3.86Å; Y442-F457 HydrophobicContact CD2-CG 3.86Å; Y442-F457 HydrophobicContact CE1-CD1 4.24Å; Y442-F457 HydrophobicContact CE1-CE1 4.34Å; Y442-F457 HydrophobicContact CE2-CB 4.27Å; Y442-F457 AromaticContact CE2-CD1 3.59Å; Y442-F457 HydrophobicContact CE2-CD1 3.59Å; Y442-F457 HydrophobicContact CE2-CE1 4.46Å; Y442-F457 HydrophobicContact CE2-CG 4.4Å; Y442-F457 AromaticContact CG-CD1 3.42Å; Y442-F457 HydrophobicContact CG-CD1 3.42Å; Y442-F457 VanDerWaalsContact CG-CD1 3.42Å; Y442-F457 AromaticContact CG-CE1 3.78Å; Y442-F457 HydrophobicContact CG-CE1 3.78Å; Y442-F457 HydrophobicContact CG-CG 4.24Å; N453-F457 WeakPolarHBondContact O-CB 3.25Å; N453-F457 PolarHBondContact O-N 3.37Å; S454-F457 PolarHBondContact O-N 2.91Å; L455-F457 VanDerWaalsContact C-N 3.33Å; L455-F457 PolarHBondContact O-N 3.19Å; F457-A459 VanDerWaalsContact C-N 3.32Å; F457-A459 PolarHBondContact O-N 3.49Å; F457-I460 WeakPolarHBondContact O-CB 3.39Å; F457-I460 PolarHBondContact O-N 3.47Å; F457-L461 HydrophobicContact CE1-CD2 4.42Å; F457-L461 WeakPolarHBondContact O-CB 3.4Å; F457-L461 PolarHBondContact O-N 2.9Å
458S92.2Very high89.8Confident0 Ų014.9 Ų14.90%07%0.07CC..Hα-helixtrans-61.9-40.3175.175.30000112.1W42 S454 L455 L461 F462W42-S458 WeakPolarHBondContact CZ2-OG 3.48Å; W42-S458 PolarHBondContact NE1-OG 3.03Å; S454-S458 PolarHBondContact O-N 2.92Å; L455-S458 PolarHBondContact O-N 3.45Å; L455-S458 PolarHBondContact O-OG 3.27Å; S458-L461 PolarHBondContact O-N 3.42Å; S458-F462 WeakPolarHBondContact O-CG 3.24Å; S458-F462 PolarHBondContact O-N 2.89Å
459A95.1Very high90.7Very high0 Ų012.1 Ų12.10%06%0.057CC..Hα-helixtrans-63-43.6176.100000111.8T38 A41 L112 L455 L456 F457 L461 F462 C463T38-A459 HydrophobicContact CG2-CB 4.39Å; A41-A459 HydrophobicContact CB-CB 3.62Å; L112-A459 HydrophobicContact CD1-CB 3.79Å; L112-A459 HydrophobicContact CD2-CB 4.36Å; L455-A459 PolarHBondContact O-N 3.32Å; L456-A459 WeakPolarHBondContact O-CB 3.44Å; L456-A459 PolarHBondContact O-N 2.94Å; F457-A459 VanDerWaalsContact C-N 3.32Å; F457-A459 PolarHBondContact O-N 3.49Å; A459-L461 VanDerWaalsContact C-N 3.33Å; A459-L461 PolarHBondContact O-N 3.04Å; A459-F462 PolarHBondContact O-N 2.97Å; A459-C463 PolarHBondContact O-N 3.33Å; A459-C463 PolarHBondContact O-SG 3.49Å
460I94.9Very high91.5Very high4 Ų49.3 Ų9.32%0.0214%0.044CC..Hα-helixtrans-57.4-49173.3-70.6163.9000109.9T108 L112 P113 L456 F457 C463 R464T108-I460 PolarHBondContact OG1-O 3.38Å; L112-I460 HydrophobicContact CB-CD1 3.85Å; L112-I460 HydrophobicContact CB-CG1 3.37Å; L112-I460 HydrophobicContact CD1-CG1 3.85Å; L112-I460 HydrophobicContact CG-CG1 4.27Å; P113-I460 HydrophobicContact CG-CD1 4.01Å; L456-I460 VanDerWaalsContact O-CG1 3.28Å; L456-I460 WeakPolarHBondContact O-CG1 3.3Å; L456-I460 PolarHBondContact O-N 2.63Å; F457-I460 WeakPolarHBondContact O-CB 3.39Å; F457-I460 PolarHBondContact O-N 3.47Å; I460-C463 PolarHBondContact O-N 3.48Å; I460-R464 WeakPolarHBondContact O-CG 3.36Å; I460-R464 PolarHBondContact O-N 3.05Å
461L92.7Very high91.8Very high9 Ų99.6 Ų9.65%0.0475%0.045CC..Hα-helixtrans-64.6-45.5-176.5-170.655.4000111.5W182 L186 V433 F457 S458 A459 C463 R464 L465W182-L461 HydrophobicContact CB-CD1 4.44Å; W182-L461 HydrophobicContact CG-CD1 4.44Å; L186-L461 HydrophobicContact CD1-CD1 4.38Å; L186-L461 HydrophobicContact CD1-CD2 4.31Å; V433-L461 HydrophobicContact CB-CD2 4.32Å; V433-L461 HydrophobicContact CG1-CD2 3.9Å; V433-L461 HydrophobicContact CG2-CD2 3.54Å; V433-L461 HydrophobicContact CG2-CG 4.21Å; F457-L461 HydrophobicContact CE1-CD2 4.42Å; F457-L461 WeakPolarHBondContact O-CB 3.4Å; F457-L461 PolarHBondContact O-N 2.9Å; S458-L461 PolarHBondContact O-N 3.42Å; A459-L461 VanDerWaalsContact C-N 3.33Å; A459-L461 PolarHBondContact O-N 3.04Å; L461-C463 PolarHBondContact O-N 2.79Å; L461-R464 PolarHBondContact O-N 3.39Å; L461-R464 VanDerWaalsContact O-N 3.1Å; L461-L465 HydrophobicContact CD1-CD1 4.13Å; L461-L465 HydrophobicContact CD1-CG 4.15Å; L461-L465 HydrophobicContact CG-CD1 3.85Å; L461-L465 HydrophobicContact CG-CG 4.32Å; L461-L465 WeakPolarHBondContact O-CB 3.45Å; L461-L465 WeakPolarHBondContact O-CG 3.3Å; L461-L465 PolarHBondContact O-N 3.35Å
462F94.5Very high92.1Very high0 Ų08.6 Ų8.60%04%0.04CC..Hα-helixtrans-61-43.7175.4-69.8-16.6000112.7W42 A45 F46 Y430 V433 F434 S458 A459 R464 L465 T466W42-F462 AromaticContact CD1-CD2 3.39Å; W42-F462 AromaticContact CD1-CE2 3.9Å; W42-F462 HydrophobicContact CD2-CE2 4.36Å; W42-F462 AromaticContact CG-CD2 4Å; W42-F462 HydrophobicContact CG-CD2 4Å; W42-F462 HydrophobicContact CG-CE2 4.27Å; W42-F462 AromaticContact NE1-CD2 3.53Å; W42-F462 AromaticContact NE1-CE2 3.68Å; A45-F462 HydrophobicContact CB-CB 3.69Å; A45-F462 HydrophobicContact CB-CG 4.39Å; F46-F462 HydrophobicContact CE1-CD2 4.44Å; F46-F462 HydrophobicContact CE1-CE2 4.24Å; Y430-F462 AromaticContact CD1-CD1 3.62Å; Y430-F462 HydrophobicContact CD1-CD1 3.62Å; Y430-F462 AromaticContact CD1-CE1 3.31Å; Y430-F462 HydrophobicContact CD1-CE1 3.31Å; Y430-F462 HydrophobicContact CD1-CZ 4.2Å; Y430-F462 HydrophobicContact CD2-CE1 4.43Å; Y430-F462 AromaticContact CE1-CD1 3.56Å; Y430-F462 HydrophobicContact CE1-CD1 3.56Å; Y430-F462 AromaticContact CE1-CE1 3.77Å; Y430-F462 HydrophobicContact CE1-CE1 3.77Å; Y430-F462 HydrophobicContact CE1-CG 4.38Å; Y430-F462 HydrophobicContact CG-CD1 4.36Å; Y430-F462 AromaticContact CG-CE1 3.7Å; Y430-F462 HydrophobicContact CG-CE1 3.7Å; Y430-F462 HydrophobicContact CG-CZ 4.16Å; V433-F462 HydrophobicContact CB-CE1 4.11Å; V433-F462 HydrophobicContact CG1-CE1 3.75Å; V433-F462 HydrophobicContact CG1-CZ 4.19Å; V433-F462 HydrophobicContact CG2-CE1 4.26Å; F434-F462 AromaticContact CE2-CZ 3.87Å; F434-F462 HydrophobicContact CE2-CZ 3.87Å; F434-F462 HydrophobicContact CZ-CZ 4.48Å; S458-F462 WeakPolarHBondContact O-CG 3.24Å; S458-F462 PolarHBondContact O-N 2.89Å; A459-F462 PolarHBondContact O-N 2.97Å; F462-R464 VanDerWaalsContact C-N 3.27Å; F462-R464 PolarHBondContact O-N 2.9Å; F462-L465 PolarHBondContact O-N 3.47Å; F462-T466 WeakPolarHBondContact O-CB 3.37Å; F462-T466 PolarHBondContact O-N 3.23Å; F462-T466 PolarHBondContact O-OG1 2.9Å
463C95.1Very high92.4Very high0 Ų06.6 Ų6.60%03%0.031CC..Hα-helixtrans-61-34.2173.8-74.40000112.9A41 A459 I460 L461 P467A41-C463 VanDerWaalsContact CB-SG 3.54Å; A459-C463 PolarHBondContact O-N 3.33Å; A459-C463 PolarHBondContact O-SG 3.49Å; I460-C463 PolarHBondContact O-N 3.48Å; L461-C463 PolarHBondContact O-N 2.79Å; C463-P467 WeakPolarHBondContact O-CD 3.32Å
464R93.4Very high92.6Very high40 Ų406.2 Ų6.215%0.1513%0.029CC..Hα-helixtrans-74.1-36.5177-70.6175.9-175.7175.9-1.2113.3T108 I460 L461 F462 P468T108-R464 HydrophobicContact CG2-CG 4.36Å; T108-R464 WeakPolarHBondContact OG1-CG 3.41Å; T108-R464 PolarHBondContact OG1-NE 2.92Å; T108-R464 VanDerWaalsContact OG1-NE 3.16Å; I460-R464 WeakPolarHBondContact O-CG 3.36Å; I460-R464 PolarHBondContact O-N 3.05Å; L461-R464 PolarHBondContact O-N 3.39Å; L461-R464 VanDerWaalsContact O-N 3.1Å; F462-R464 VanDerWaalsContact C-N 3.27Å; F462-R464 PolarHBondContact O-N 2.9Å; R464-P468 WeakPolarHBondContact O-CD 3.28Å; R464-P468 WeakPolarHBondContact O-CG 3.35Å
465L93.8Very high92.6Very high0 Ų06.5 Ų6.50%03%0.031CC..Hα-helixtrans-78.5-24.4-178.8-66172.6000112.3W182 L183 L186 V433 L461 F462 P468 M469W182-L465 HydrophobicContact CB-CD2 3.98Å; L183-L465 HydrophobicContact CB-CD2 3.88Å; L183-L465 HydrophobicContact CD1-CD2 4.2Å; L186-L465 HydrophobicContact CD1-CD1 3.53Å; L186-L465 HydrophobicContact CD1-CD2 3.88Å; L186-L465 HydrophobicContact CD1-CG 4.29Å; V433-L465 HydrophobicContact CG2-CD1 4.21Å; L461-L465 HydrophobicContact CD1-CD1 4.13Å; L461-L465 HydrophobicContact CD1-CG 4.15Å; L461-L465 HydrophobicContact CG-CD1 3.85Å; L461-L465 HydrophobicContact CG-CG 4.32Å; L461-L465 WeakPolarHBondContact O-CB 3.45Å; L461-L465 WeakPolarHBondContact O-CG 3.3Å; L461-L465 PolarHBondContact O-N 3.35Å; F462-L465 PolarHBondContact O-N 3.47Å; L465-P468 VanDerWaalsContact O-CD 3.25Å; L465-P468 WeakPolarHBondContact O-CD 3.39Å; L465-P468 VanDerWaalsContact O-CG 3.28Å; L465-P468 WeakPolarHBondContact O-CG 3.47Å; L465-M469 WeakPolarHBondContact O-CB 3.44Å; L465-M469 WeakPolarHBondContact O-CG 2.86Å; L465-M469 PolarHBondContact O-N 3.46Å
466T94.2Very high92.6Very high5 Ų56.5 Ų6.53%0.0313%0.031CC..Hα-helixtrans-57.4-50.8-177.4-63.10000112A45 I48 F462 M469 C470A45-T466 VanDerWaalsContact CA-OG1 3.3Å; A45-T466 WeakPolarHBondContact CA-OG1 3.47Å; A45-T466 WeakPolarHBondContact CB-OG1 3.44Å; I48-T466 HydrophobicContact CD1-CG2 4.23Å; I48-T466 HydrophobicContact CG2-CG2 3.53Å; F462-T466 WeakPolarHBondContact O-CB 3.37Å; F462-T466 PolarHBondContact O-N 3.23Å; F462-T466 PolarHBondContact O-OG1 2.9Å; T466-M469 PolarHBondContact O-N 2.92Å; T466-C470 PolarHBondContact O-N 2.94Å; T466-C470 PolarHBondContact O-SG 3.28Å
467P92.2Very high92.6Very high4 Ų46.5 Ų6.53%0.0263%0.031CC..Hα-helixtrans-62.1-53178-22.532.7000116.4Y101 N176 C463 M469 C470 L471 Y495 M499Y101-P467 HydrophobicContact CD2-CG 4.34Å; Y101-P467 HydrophobicContact CE2-CB 4.2Å; Y101-P467 HydrophobicContact CE2-CG 4.05Å; N176-P467 VanDerWaalsContact OD1-CB 3.29Å; N176-P467 WeakPolarHBondContact OD1-CB 3.48Å; C463-P467 WeakPolarHBondContact O-CD 3.32Å; P467-M469 PolarHBondContact O-N 3.35Å; P467-C470 PolarHBondContact O-N 3.47Å; P467-C470 VanDerWaalsContact O-N 3.16Å; P467-L471 PolarHBondContact O-N 3.11Å; P467-Y495 WeakPolarHBondContact CA-OH 3.38Å; P467-Y495 PolarHBondContact O-OH 2.96Å; P467-M499 HydrophobicContact CB-CE 3.72Å
468P90.8Very high92.4Very high0 Ų04.9 Ų4.90%02%0.024CC..Hα-helixtrans-65.6-25.417930.2-39.4000112.2G179 M180 L183 R464 L465 N472G179-P468 VanDerWaalsContact C-CG 3.46Å; M180-P468 HydrophobicContact CB-CB 4Å; L183-P468 HydrophobicContact CB-CB 4.45Å; L183-P468 HydrophobicContact CB-CG 4.35Å; L183-P468 VanDerWaalsContact CD2-C 3.47Å; L183-P468 HydrophobicContact CD2-CB 3.85Å; L183-P468 HydrophobicContact CD2-CG 4.21Å; L183-P468 WeakPolarHBondContact CD2-O 3.23Å; R464-P468 WeakPolarHBondContact O-CD 3.28Å; R464-P468 WeakPolarHBondContact O-CG 3.35Å; L465-P468 VanDerWaalsContact O-CD 3.25Å; L465-P468 WeakPolarHBondContact O-CD 3.39Å; L465-P468 VanDerWaalsContact O-CG 3.28Å; L465-P468 WeakPolarHBondContact O-CG 3.47Å; P468-N472 WeakPolarHBondContact O-CB 3.35Å; P468-N472 PolarHBondContact O-N 3.06Å
469M92.9Very high92.1Very high5 Ų55 Ų53%0.0253%0.025CC..Hα-helixtrans-62.6-45.9171.6-87.2-70.7-160.700111.8I48 L183 L187 L425 A429 L465 T466 P467 N472 F473I48-M469 HydrophobicContact CD1-CB 4.12Å; L183-M469 HydrophobicContact CD1-CE 3.43Å; L183-M469 VanDerWaalsContact CD1-CE 3.43Å; L183-M469 HydrophobicContact CD1-CG 3.77Å; L183-M469 HydrophobicContact CD1-SD 3.56Å; L183-M469 VanDerWaalsContact CD1-SD 3.56Å; L183-M469 HydrophobicContact CD2-CG 4.18Å; L183-M469 HydrophobicContact CD2-SD 4.21Å; L187-M469 HydrophobicContact CD2-CE 4.19Å; L425-M469 HydrophobicContact CB-CE 4.36Å; L425-M469 HydrophobicContact CB-SD 4.09Å; L425-M469 WeakPolarHBondContact O-CE 3.46Å; A429-M469 HydrophobicContact CB-CE 3.2Å; L465-M469 WeakPolarHBondContact O-CB 3.44Å; L465-M469 WeakPolarHBondContact O-CG 2.86Å; L465-M469 PolarHBondContact O-N 3.46Å; T466-M469 PolarHBondContact O-N 2.92Å; P467-M469 PolarHBondContact O-N 3.35Å; M469-N472 PolarHBondContact O-N 2.85Å; M469-F473 PolarHBondContact O-N 3.39Å
470C93.9Very high91.3Very high0 Ų05.2 Ų5.20%03%0.026CC..Hα-helixtrans-63.7-47.3176.6-63.20000111.1L52 T466 P467 N472 F473 L474 Y495L52-C470 HydrophobicContact CD1-CB 4.3Å; L52-C470 HydrophobicContact CD2-CB 3.88Å; T466-C470 PolarHBondContact O-N 2.94Å; T466-C470 PolarHBondContact O-SG 3.28Å; P467-C470 PolarHBondContact O-N 3.47Å; P467-C470 VanDerWaalsContact O-N 3.16Å; C470-N472 VanDerWaalsContact C-N 3.34Å; C470-N472 PolarHBondContact O-N 3.31Å; C470-F473 PolarHBondContact O-N 3.47Å; C470-L474 WeakPolarHBondContact O-CB 3.39Å; C470-L474 VanDerWaalsContact O-CG 3.27Å; C470-L474 WeakPolarHBondContact O-CG 3.47Å; C470-L474 PolarHBondContact O-N 2.88Å; C470-Y495 HydrophobicContact CB-CD1 4.1Å; C470-Y495 HydrophobicContact CB-CE1 3.47Å; C470-Y495 VanDerWaalsContact CB-CE1 3.47Å; C470-Y495 HydrophobicContact CB-CE2 4.03Å; C470-Y495 WeakPolarHBondContact CB-OH 3.43Å
471L89.1Confident89.9Confident11 Ų116.1 Ų6.16%0.0583%0.034CC..Hα-helixtrans-61.3-42177.5-71.9176000112.2N176 P467 L474 G475 Y495 M499N176-L471 HydrophobicContact CB-CD1 4.27Å; P467-L471 PolarHBondContact O-N 3.11Å; L471-L474 PolarHBondContact O-N 3.31Å; L471-G475 PolarHBondContact O-N 2.91Å; L471-Y495 HydrophobicContact CD2-CE1 4.06Å; L471-Y495 HydrophobicContact CG-CE1 4.16Å; L471-M499 HydrophobicContact CD1-CE 3.99Å; L471-M499 HydrophobicContact CD1-SD 3.77Å; L471-M499 HydrophobicContact CD2-SD 3.59Å; L471-M499 VanDerWaalsContact CD2-SD 3.59Å; L471-M499 HydrophobicContact CG-CE 4.13Å; L471-M499 HydrophobicContact CG-SD 3.8Å
472N90.4Very high88.5Confident12 Ų126.7 Ų6.76%0.0644%0.036CC..Hα-helixtrans-59.1-50176.7174.6-111.7000111L183 E385 P468 M469 C470 L474 G475 L476L183-N472 HydrophobicContact CD2-CB 4.01Å; E385-N472 VanDerWaalsContact CD-ND2 3.32Å; E385-N472 PolarHBondContact OE1-ND2 2.98Å; E385-N472 PolarHBondContact OE1-OD1 3.31Å; E385-N472 PolarHBondContact OE2-ND2 3.36Å; P468-N472 WeakPolarHBondContact O-CB 3.35Å; P468-N472 PolarHBondContact O-N 3.06Å; M469-N472 PolarHBondContact O-N 2.85Å; C470-N472 VanDerWaalsContact C-N 3.34Å; C470-N472 PolarHBondContact O-N 3.31Å; N472-L474 PolarHBondContact O-N 3.2Å; N472-G475 PolarHBondContact O-N 2.84Å; N472-L476 WeakPolarHBondContact O-CG 3.36Å; N472-L476 PolarHBondContact O-N 2.84Å
473F93.9Very high86.7Confident1 Ų17.7 Ų7.70%0.0044%0.042CC..Hα-helixtrans-62.4-43.8176.4179.4-102.3000112.9L52 V56 S418 T421 I422 L425 M469 C470 G475 L476 I477L52-F473 HydrophobicContact CD2-CB 4.08Å; L52-F473 HydrophobicContact CD2-CD1 3.61Å; L52-F473 HydrophobicContact CD2-CG 4.21Å; L52-F473 HydrophobicContact CG-CD1 4.17Å; V56-F473 HydrophobicContact CG2-CE1 4.28Å; S418-F473 WeakPolarHBondContact OG-CZ 3.22Å; T421-F473 HydrophobicContact CG2-CD2 4.03Å; T421-F473 HydrophobicContact CG2-CE2 3.79Å; I422-F473 HydrophobicContact CD1-CD1 3.72Å; I422-F473 HydrophobicContact CD1-CD2 4.31Å; I422-F473 HydrophobicContact CD1-CE1 3.79Å; I422-F473 HydrophobicContact CD1-CE2 4.39Å; I422-F473 HydrophobicContact CD1-CG 3.99Å; I422-F473 HydrophobicContact CD1-CZ 4.14Å; I422-F473 HydrophobicContact CG1-CB 4.2Å; I422-F473 HydrophobicContact CG1-CD1 3.86Å; I422-F473 HydrophobicContact CG1-CD2 3.57Å; I422-F473 HydrophobicContact CG1-CE1 4.12Å; I422-F473 HydrophobicContact CG1-CE2 3.87Å; I422-F473 HydrophobicContact CG1-CG 3.57Å; I422-F473 HydrophobicContact CG1-CZ 4.14Å; L425-F473 HydrophobicContact CD1-CB 4.42Å; L425-F473 HydrophobicContact CD1-CD2 4.36Å; M469-F473 PolarHBondContact O-N 3.39Å; C470-F473 PolarHBondContact O-N 3.47Å; F473-G475 VanDerWaalsContact C-N 3.29Å; F473-G475 PolarHBondContact O-N 2.73Å; F473-L476 WeakPolarHBondContact O-CB 3.43Å; F473-L476 PolarHBondContact O-N 2.76Å; F473-I477 HydrophobicContact CD1-CD1 4.48Å; F473-I477 HydrophobicContact CE1-CD1 3.92Å; F473-I477 HydrophobicContact CE1-CG2 4.41Å; F473-I477 HydrophobicContact CE2-CG2 4.17Å; F473-I477 HydrophobicContact CZ-CD1 4.41Å; F473-I477 HydrophobicContact CZ-CG2 3.95Å; F473-I477 PolarHBondContact O-N 2.97Å
474L91.9Very high84.9Confident0 Ų08.1 Ų8.10%05%0.045CC..Hα-helixtrans-62.6-36.8176.8-70.1177000112L52 V56 C470 L471 N472 I477 H478 M479 D480 T493 Y495 T496L52-L474 HydrophobicContact CD1-CD1 4.2Å; L52-L474 HydrophobicContact CD1-CD2 4.07Å; L52-L474 HydrophobicContact CD1-CG 4.14Å; V56-L474 HydrophobicContact CG2-CD2 3.74Å; C470-L474 WeakPolarHBondContact O-CB 3.39Å; C470-L474 VanDerWaalsContact O-CG 3.27Å; C470-L474 WeakPolarHBondContact O-CG 3.47Å; C470-L474 PolarHBondContact O-N 2.88Å; L471-L474 PolarHBondContact O-N 3.31Å; N472-L474 PolarHBondContact O-N 3.2Å; L474-I477 HydrophobicContact CD2-CD1 4.24Å; L474-I477 WeakPolarHBondContact O-CG1 3.43Å; L474-I477 PolarHBondContact O-N 3.29Å; L474-H478 PolarHBondContact O-N 2.95Å; L474-M479 HydrophobicContact CD2-CB 4.12Å; L474-M479 PolarHBondContact O-N 3.43Å; L474-D480 HydrophobicContact CB-CB 4.08Å; L474-D480 PolarHBondContact O-N 2.92Å; L474-T493 HydrophobicContact CD1-CG2 4.44Å; L474-T493 HydrophobicContact CD2-CG2 3.94Å; L474-Y495 HydrophobicContact CD1-CD1 3.77Å; L474-Y495 HydrophobicContact CD1-CE1 4.42Å; L474-T496 HydrophobicContact CD1-CG2 3.78Å
475G88.2Confident83.2Confident5 Ų512.8 Ų12.85%0.0527%0.066CC..Hα-helixtrans-61.1-47.8171.300000111.9L471 N472 F473 I477 H478L471-G475 PolarHBondContact O-N 2.91Å; N472-G475 PolarHBondContact O-N 2.84Å; F473-G475 VanDerWaalsContact C-N 3.29Å; F473-G475 PolarHBondContact O-N 2.73Å; G475-I477 PolarHBondContact O-N 3.49Å; G475-H478 PolarHBondContact O-CD2 3.13Å; G475-H478 PolarHBondContact O-N 2.69Å
476L91.2Very high81.4Confident0 Ų014.4 Ų14.40%08%0.075CC..Hα-helixtrans-56.6-35178.1-69.8179.6000113.1S384 E385 S396 A398 A399 L425 N472 F473S384-L476 VanDerWaalsContact C-CD2 3.43Å; E385-L476 HydrophobicContact CB-CD2 4.47Å; E385-L476 HydrophobicContact CG-CD2 3.96Å; E385-L476 WeakPolarHBondContact OE1-CD2 3.18Å; S396-L476 WeakPolarHBondContact CB-O 3.34Å; S396-L476 PolarHBondContact OG-O 3.48Å; A398-L476 HydrophobicContact CB-CB 4.05Å; A399-L476 PolarHBondContact N-O 3.35Å; L425-L476 HydrophobicContact CD1-CD1 4.31Å; N472-L476 WeakPolarHBondContact O-CG 3.36Å; N472-L476 PolarHBondContact O-N 2.84Å; F473-L476 WeakPolarHBondContact O-CB 3.43Å; F473-L476 PolarHBondContact O-N 2.76Å
477I91.8Very high79.3Confident0 Ų022.3 Ų22.30%012%0.116CC..THydrogen-bonded Turntrans-95.77.1-179.666.7168.7000114V56 A398 V402 H403 F473 L474 G475 M479V56-I477 HydrophobicContact CB-CD1 4.42Å; V56-I477 HydrophobicContact CG1-CD1 3.69Å; V56-I477 HydrophobicContact CG2-CD1 3.76Å; A398-I477 HydrophobicContact CB-CG2 4.05Å; V402-I477 HydrophobicContact CB-CG2 4.39Å; V402-I477 HydrophobicContact CG2-CG2 3.95Å; H403-I477 PolarHBondContact NE2-O 2.93Å; F473-I477 HydrophobicContact CD1-CD1 4.48Å; F473-I477 HydrophobicContact CE1-CD1 3.92Å; F473-I477 HydrophobicContact CE1-CG2 4.41Å; F473-I477 HydrophobicContact CE2-CG2 4.17Å; F473-I477 HydrophobicContact CZ-CD1 4.41Å; F473-I477 HydrophobicContact CZ-CG2 3.95Å; F473-I477 PolarHBondContact O-N 2.97Å; L474-I477 HydrophobicContact CD2-CD1 4.24Å; L474-I477 WeakPolarHBondContact O-CG1 3.43Å; L474-I477 PolarHBondContact O-N 3.29Å; G475-I477 PolarHBondContact O-N 3.49Å; I477-M479 VanDerWaalsContact C-N 3.3Å; I477-M479 HydrophobicContact CD1-CB 3.95Å; I477-M479 HydrophobicContact CD1-CG 3.66Å; I477-M479 HydrophobicContact CG1-CB 3.89Å; I477-M479 HydrophobicContact CG1-CG 3.78Å; I477-M479 PolarHBondContact O-N 3.37Å
478H88.4Confident77.4Confident7 Ų728.9 Ų28.93%0.03215%0.148CC..THydrogen-bonded Turntrans56.337.9-176.1-57.9178.9000114F388 S390 A399 L474 G475 T484F388-H478 PolarHBondContact O-CD2 2.93Å; F388-H478 PolarHBondContact O-NE2 2.89Å; S390-H478 PolarHBondContact O-CE1 3.37Å; S390-H478 VanDerWaalsContact O-CE1 3.31Å; A399-H478 HydrophobicContact CB-CB 4.37Å; L474-H478 PolarHBondContact O-N 2.95Å; G475-H478 PolarHBondContact O-CD2 3.13Å; G475-H478 PolarHBondContact O-N 2.69Å; H478-T484 HydrophobicContact CB-CG2 4.16Å
479M85.4Confident76.1Confident1 Ų130 Ų301%0.00515%0.154CC..  trans-108.77.4174.6-69.1-71.2-75.700112.7T59 F60 L63 L474 I477 L489T59-M479 HydrophobicContact CG2-CE 3.45Å; T59-M479 VanDerWaalsContact CG2-CE 3.45Å; F60-M479 HydrophobicContact CD1-CE 4.46Å; F60-M479 HydrophobicContact CD2-CE 4.47Å; F60-M479 HydrophobicContact CE1-CE 4.19Å; F60-M479 HydrophobicContact CE1-SD 3.73Å; F60-M479 HydrophobicContact CE2-CE 4.19Å; F60-M479 HydrophobicContact CE2-CG 4.3Å; F60-M479 HydrophobicContact CE2-SD 4.2Å; F60-M479 HydrophobicContact CZ-CE 4.04Å; F60-M479 HydrophobicContact CZ-CG 3.9Å; F60-M479 HydrophobicContact CZ-SD 3.54Å; F60-M479 VanDerWaalsContact CZ-SD 3.54Å; L63-M479 HydrophobicContact CD1-CE 4.11Å; L63-M479 HydrophobicContact CD1-SD 4.43Å; L474-M479 HydrophobicContact CD2-CB 4.12Å; L474-M479 PolarHBondContact O-N 3.43Å; I477-M479 VanDerWaalsContact C-N 3.3Å; I477-M479 HydrophobicContact CD1-CB 3.95Å; I477-M479 HydrophobicContact CD1-CG 3.66Å; I477-M479 HydrophobicContact CG1-CB 3.89Å; I477-M479 HydrophobicContact CG1-CG 3.78Å; I477-M479 PolarHBondContact O-N 3.37Å; M479-L489 HydrophobicContact SD-CD1 4.05Å; M479-L489 HydrophobicContact SD-CD2 4.2Å
480D78.1Confident74.6Confident6 Ų635.7 Ų35.73%0.03218%0.181CC..  trans-9995.3174.7-173.8-0.5000110.9L474 H482 V483 T484L474-D480 HydrophobicContact CB-CB 4.08Å; L474-D480 PolarHBondContact O-N 2.92Å; D480-H482 PolarHBondContact O-N 3.38Å; D480-H482 VanDerWaalsContact O-N 3.14Å; D480-H482 WeakPolarHBondContact OD1-CB 3.36Å; D480-H482 IonicContact OD1-CD2 3.78Å; D480-H482 PolarHBondContact OD1-CD2 3.26Å; D480-H482 IonicContact OD1-CG 3.86Å; D480-H482 PolarHBondContact OD1-N 3.36Å; D480-H482 VanDerWaalsContact OD1-N 3.14Å; D480-V483 HydrophobicContact CB-CB 4.32Å; D480-V483 PolarHBondContact O-N 2.91Å; D480-V483 VanDerWaalsContact O-N 3.1Å; D480-V483 VanDerWaalsContact OD2-CG2 3.26Å; D480-V483 WeakPolarHBondContact OD2-CG2 3.39Å; D480-T484 PolarHBondContact O-N 2.99Å; D480-T484 PolarHBondContact O-OG1 3.48Å
481A66.8Low73.8Confident22 Ų2237 Ų3718%0.18219%0.188CC..Hα-helixtrans-57.2-28-179.500000113.3V483 K485 E492A481-V483 VanDerWaalsContact C-N 3.31Å; A481-V483 PolarHBondContact O-N 3.18Å; A481-K485 WeakPolarHBondContact O-CA 3.3Å; A481-K485 PolarHBondContact O-N 3.42Å; A481-K485 VanDerWaalsContact O-N 3.12Å; A481-E492 HydrophobicContact CB-CG 4.41Å
482H61.8Low73.5Confident22 Ų2238.4 Ų38.410%0.10220%0.195CC..Hα-helixtrans-69.8-31.2-179.5-54.6-46.6000112.5D480 E492 G500D480-H482 PolarHBondContact O-N 3.38Å; D480-H482 VanDerWaalsContact O-N 3.14Å; D480-H482 WeakPolarHBondContact OD1-CB 3.36Å; D480-H482 IonicContact OD1-CD2 3.78Å; D480-H482 PolarHBondContact OD1-CD2 3.26Å; D480-H482 IonicContact OD1-CG 3.86Å; D480-H482 PolarHBondContact OD1-N 3.36Å; D480-H482 VanDerWaalsContact OD1-N 3.14Å; H482-E492 IonicContact CE1-OE1 3.33Å; H482-G500 PolarHBondContact CE1-O 3.22Å; H482-G500 PolarHBondContact NE2-O 3.07Å
483V57.5Low73.5Confident21 Ų2137.9 Ų37.913%0.12719%0.192CC..Hα-helixtrans-94.7-45.7-175.61660000110.9F388 D480 A481 I514F388-V483 HydrophobicContact CD2-CG1 3.94Å; F388-V483 HydrophobicContact CE2-CG1 3.46Å; F388-V483 VanDerWaalsContact CE2-CG1 3.46Å; D480-V483 HydrophobicContact CB-CB 4.32Å; D480-V483 PolarHBondContact O-N 2.91Å; D480-V483 VanDerWaalsContact O-N 3.1Å; D480-V483 VanDerWaalsContact OD2-CG2 3.26Å; D480-V483 WeakPolarHBondContact OD2-CG2 3.39Å; A481-V483 VanDerWaalsContact C-N 3.31Å; A481-V483 PolarHBondContact O-N 3.18Å; V483-I514 HydrophobicContact CG1-CG1 4.19Å; V483-I514 WeakPolarHBondContact O-CD1 3.15Å
484T57.3Low73.3Confident9 Ų938.1 Ų38.16%0.05519%0.194CC..Hα-helixtrans-81.7-18.3-176.440.30000113.4L391 H478 D480 D486L391-T484 HydrophobicContact CD1-CG2 3.94Å; L391-T484 WeakPolarHBondContact CD1-O 3.45Å; L391-T484 HydrophobicContact CD2-CG2 3.55Å; L391-T484 HydrophobicContact CG-CG2 3.83Å; H478-T484 HydrophobicContact CB-CG2 4.16Å; D480-T484 PolarHBondContact O-N 2.99Å; D480-T484 PolarHBondContact O-OG1 3.48Å; T484-D486 PolarHBondContact O-N 3.47Å
485K57.7Low73.2Confident137 Ų13738.3 Ų38.360%0.59620%0.195SC*.  trans47.328.3-170.8-62.3-174.4175.8-172.10111.9A481 L487 E506A481-K485 WeakPolarHBondContact O-CA 3.3Å; A481-K485 PolarHBondContact O-N 3.42Å; A481-K485 VanDerWaalsContact O-N 3.12Å; K485-L487 PolarHBondContact O-N 3.38Å; K485-E506 IonicContact NZ-OE1 3.7Å
486D56.5Low73.2Confident35 Ų3538.1 Ų38.119%0.18719%0.193CC..  trans-74.9103.2-175.8-167.1-5.2000108.2L391 T484 M488 L489L391-D486 HydrophobicContact CD2-CB 3.95Å; T484-D486 PolarHBondContact O-N 3.47Å; D486-M488 PolarHBondContact O-N 3.1Å; D486-M488 VanDerWaalsContact OD1-CB 3.26Å; D486-M488 WeakPolarHBondContact OD1-CB 3.18Å; D486-M488 WeakPolarHBondContact OD1-CG 3.25Å; D486-M488 PolarHBondContact OD1-N 2.83Å; D486-M488 VanDerWaalsContact OD1-N 3.09Å; D486-L489 PolarHBondContact O-N 3.39Å; D486-L489 VanDerWaalsContact O-N 3.14Å
487L49.5Very low72.8Confident171 Ų17141.2 Ų41.290%0.89522%0.218SC*.THydrogen-bonded Turntrans-58.8-16.3177.4-122.482.5000112.3K485 L489K485-L487 PolarHBondContact O-N 3.38Å; L487-L489 VanDerWaalsContact C-N 3.33Å
488M51.5Low72.4Confident141 Ų14141.8 Ų41.870%0.69522%0.221SC*.THydrogen-bonded Turntrans-76.9-16.8179.7-60.2-67.6-171.800113.5D486 E490D486-M488 PolarHBondContact O-N 3.1Å; D486-M488 VanDerWaalsContact OD1-CB 3.26Å; D486-M488 WeakPolarHBondContact OD1-CB 3.18Å; D486-M488 WeakPolarHBondContact OD1-CG 3.25Å; D486-M488 PolarHBondContact OD1-N 2.83Å; D486-M488 VanDerWaalsContact OD1-N 3.09Å; M488-E490 VanDerWaalsContact C-N 3.29Å; M488-E490 PolarHBondContact O-N 3.19Å
489L63.6Low71.8Confident25 Ų2541.5 Ų41.513%0.13122%0.22CC..  trans-78.779.9176.1-123.283.5000109.6M479 D486 L487 T491M479-L489 HydrophobicContact SD-CD1 4.05Å; M479-L489 HydrophobicContact SD-CD2 4.2Å; D486-L489 PolarHBondContact O-N 3.39Å; D486-L489 VanDerWaalsContact O-N 3.14Å; L487-L489 VanDerWaalsContact C-N 3.33Å; L489-T491 PolarHBondContact O-N 3.47Å; L489-T491 VanDerWaalsContact O-N 3.14Å
490E63.1Low71Confident123 Ų12342.4 Ų42.458%0.57523%0.23SC*.  trans-62.2-20.2177.4-65.8-172.8177.900112.5I66 M488I66-E490 WeakPolarHBondContact CG2-OE2 3.36Å; M488-E490 VanDerWaalsContact C-N 3.29Å; M488-E490 PolarHBondContact O-N 3.19Å
491T75.4Confident70.2Confident27 Ų2747.3 Ų47.317%0.16625%0.252CS..SBendtrans-133.7134.2176.365.30000113.2L63 I66 L489L63-T491 WeakPolarHBondContact CD2-OG1 3.49Å; L63-T491 WeakPolarHBondContact CG-OG1 3.39Å; I66-T491 HydrophobicContact CD1-CG2 3.11Å; L489-T491 PolarHBondContact O-N 3.47Å; L489-T491 VanDerWaalsContact O-N 3.14Å
492E84.7Confident69.9Low42 Ų4246.6 Ų46.620%0.19625%0.245CC..  trans-86.7162173.8-66.4-173.4160.500112.6A481 H482 T496 H501A481-E492 HydrophobicContact CB-CG 4.41Å; H482-E492 IonicContact CE1-OE1 3.33Å; E492-T496 WeakPolarHBondContact CB-OG1 3.05Å; E492-H501 IonicContact OE1-CE1 3.65Å; E492-H501 PolarHBondContact OE1-CE1 2.82Å; E492-H501 IonicContact OE1-ND1 3.64Å; E492-H501 IonicContact OE1-NE2 3.5Å; E492-H501 IonicContact OE2-CE1 3.37Å
493T89.6Confident69.8Low0 Ų050.4 Ų50.40%027%0.266CS..  trans-66.4155.3169.468.20000111.3T59 L474 Y495 T496 A497T59-T493 HydrophobicContact CG2-CG2 4.23Å; L474-T493 HydrophobicContact CD1-CG2 4.44Å; L474-T493 HydrophobicContact CD2-CG2 3.94Å; T493-Y495 PolarHBondContact O-N 3.3Å; T493-T496 PolarHBondContact N-OG1 2.86Å; T493-T496 VanDerWaalsContact N-OG1 3.1Å; T493-T496 PolarHBondContact O-N 2.99Å; T493-T496 PolarHBondContact O-OG1 2.59Å; T493-T496 VanDerWaalsContact O-OG1 3.05Å; T493-T496 WeakPolarHBondContact OG1-CG2 3.47Å; T493-T496 PolarHBondContact OG1-N 2.91Å; T493-T496 VanDerWaalsContact OG1-N 3.1Å; T493-T496 PolarHBondContact OG1-OG1 3.03Å; T493-A497 WeakPolarHBondContact O-CB 3.24Å; T493-A497 PolarHBondContact O-N 3.06Å; T493-A497 VanDerWaalsContact O-N 3.07Å
494A89.4Confident69.8Low6 Ų650 Ų505%0.0526%0.264CS..THydrogen-bonded Turntrans-61.8-29.8176.100000111.7D55 L93 P94 I498D55-A494 WeakPolarHBondContact OD1-CB 3.26Å; D55-A494 PolarHBondContact OD1-N 3.26Å; D55-A494 PolarHBondContact OD2-N 2.84Å; D55-A494 VanDerWaalsContact OD2-N 3.13Å; L93-A494 HydrophobicContact CD2-CB 3.9Å; L93-A494 HydrophobicContact CG-CB 4.1Å; P94-A494 HydrophobicContact CG-CB 4.09Å; A494-I498 WeakPolarHBondContact O-CD1 3.41Å
495Y90.5Very high70.2Confident5 Ų549.8 Ų49.82%0.0226%0.262CS..THydrogen-bonded Turntrans-62.4-57.2172.7-179.1-106.3000113.4D55 W97 P467 C470 L471 L474 T493 A497 I498 M499D55-Y495 WeakPolarHBondContact OD2-CB 3.35Å; D55-Y495 PolarHBondContact OD2-N 3.41Å; W97-Y495 AromaticContact CD2-CD2 3.6Å; W97-Y495 HydrophobicContact CD2-CD2 3.6Å; W97-Y495 HydrophobicContact CD2-CG 4.37Å; W97-Y495 AromaticContact CE2-CD2 3.71Å; W97-Y495 AromaticContact CE3-CD2 3.47Å; W97-Y495 HydrophobicContact CE3-CD2 3.47Å; W97-Y495 VanDerWaalsContact CE3-CD2 3.47Å; W97-Y495 AromaticContact CE3-CE2 3.94Å; W97-Y495 HydrophobicContact CE3-CE2 3.94Å; W97-Y495 HydrophobicContact CG-CD2 4.36Å; W97-Y495 AromaticContact CH2-CD2 3.65Å; W97-Y495 HydrophobicContact CH2-CD2 3.65Å; W97-Y495 HydrophobicContact CH2-CE2 4.07Å; W97-Y495 HydrophobicContact CH2-CG 4.3Å; W97-Y495 AromaticContact CZ2-CD2 3.74Å; W97-Y495 HydrophobicContact CZ2-CD2 3.74Å; W97-Y495 HydrophobicContact CZ2-CG 4.05Å; W97-Y495 AromaticContact CZ3-CD2 3.5Å; W97-Y495 HydrophobicContact CZ3-CD2 3.5Å; W97-Y495 AromaticContact CZ3-CE2 3.71Å; W97-Y495 HydrophobicContact CZ3-CE2 3.71Å; P467-Y495 WeakPolarHBondContact CA-OH 3.38Å; P467-Y495 PolarHBondContact O-OH 2.96Å; C470-Y495 HydrophobicContact CB-CD1 4.1Å; C470-Y495 HydrophobicContact CB-CE1 3.47Å; C470-Y495 VanDerWaalsContact CB-CE1 3.47Å; C470-Y495 HydrophobicContact CB-CE2 4.03Å; C470-Y495 WeakPolarHBondContact CB-OH 3.43Å; L471-Y495 HydrophobicContact CD2-CE1 4.06Å; L471-Y495 HydrophobicContact CG-CE1 4.16Å; L474-Y495 HydrophobicContact CD1-CD1 3.77Å; L474-Y495 HydrophobicContact CD1-CE1 4.42Å; T493-Y495 PolarHBondContact O-N 3.3Å; Y495-A497 PolarHBondContact O-N 3.33Å; Y495-I498 WeakPolarHBondContact O-CB 3.46Å; Y495-I498 PolarHBondContact O-N 3.32Å; Y495-M499 HydrophobicContact CD1-SD 4.34Å; Y495-M499 HydrophobicContact CE1-CE 3.6Å; Y495-M499 HydrophobicContact CE1-CG 4.43Å; Y495-M499 HydrophobicContact CE1-SD 3.57Å; Y495-M499 VanDerWaalsContact CE1-SD 3.57Å; Y495-M499 HydrophobicContact CE2-CE 4.18Å; Y495-M499 PolarHBondContact O-N 3.41Å; Y495-M499 WeakPolarHBondContact OH-CE 3.36Å
496T87.1Confident70.6Confident1 Ų149.6 Ų49.61%0.00626%0.264CS..Hα-helixtrans-62.5-34.2-178.947.20000111.3L474 E492 T493 I498 M499 G500L474-T496 HydrophobicContact CD1-CG2 3.78Å; E492-T496 WeakPolarHBondContact CB-OG1 3.05Å; T493-T496 PolarHBondContact N-OG1 2.86Å; T493-T496 VanDerWaalsContact N-OG1 3.1Å; T493-T496 PolarHBondContact O-N 2.99Å; T493-T496 PolarHBondContact O-OG1 2.59Å; T493-T496 VanDerWaalsContact O-OG1 3.05Å; T493-T496 WeakPolarHBondContact OG1-CG2 3.47Å; T493-T496 PolarHBondContact OG1-N 2.91Å; T493-T496 VanDerWaalsContact OG1-N 3.1Å; T493-T496 PolarHBondContact OG1-OG1 3.03Å; T496-I498 PolarHBondContact O-N 3.13Å; T496-I498 VanDerWaalsContact O-N 3.09Å; T496-M499 PolarHBondContact O-N 3.24Å; T496-M499 VanDerWaalsContact O-N 3.08Å; T496-G500 PolarHBondContact O-N 3.39Å
497A84Confident71.1Confident64 Ų6450.1 Ų50.153%0.52927%0.273SS..Hα-helixtrans-58.6-25173.600000114T493 Y495T493-A497 WeakPolarHBondContact O-CB 3.24Å; T493-A497 PolarHBondContact O-N 3.06Å; T493-A497 VanDerWaalsContact O-N 3.07Å; Y495-A497 PolarHBondContact O-N 3.33Å
498I82.5Confident71.9Confident13 Ų1343.8 Ų43.87%0.06724%0.239CC..Hα-helixtrans-84.9-35.3176.9-68.5157.3000111.8W97 R98 Y101 A494 Y495 T496 G500W97-I498 HydrophobicContact CB-CD1 3.16Å; W97-I498 HydrophobicContact CG-CD1 4.24Å; R98-I498 HydrophobicContact CG-CD1 3.79Å; R98-I498 HydrophobicContact CG-CG1 3.92Å; R98-I498 HydrophobicContact CG-CG2 4.46Å; Y101-I498 HydrophobicContact CD1-CG2 4.18Å; Y101-I498 HydrophobicContact CG-CG2 4.41Å; A494-I498 WeakPolarHBondContact O-CD1 3.41Å; Y495-I498 WeakPolarHBondContact O-CB 3.46Å; Y495-I498 PolarHBondContact O-N 3.32Å; T496-I498 PolarHBondContact O-N 3.13Å; T496-I498 VanDerWaalsContact O-N 3.09Å; I498-G500 PolarHBondContact O-N 2.86Å
499M77.2Confident72.6Confident1 Ų137.6 Ų37.61%0.00521%0.211CC..Hα-helixtrans-64.5-34.5174.9-67-167.5149.500111.4Y101 I172 N176 P467 L471 Y495 T496Y101-M499 HydrophobicContact CD2-CE 4.34Å; Y101-M499 HydrophobicContact CE2-CE 3.74Å; I172-M499 WeakPolarHBondContact CD1-O 3.33Å; I172-M499 HydrophobicContact CG2-CB 4.26Å; N176-M499 VanDerWaalsContact ND2-CE 3.3Å; N176-M499 WeakPolarHBondContact ND2-CE 3.43Å; P467-M499 HydrophobicContact CB-CE 3.72Å; L471-M499 HydrophobicContact CD1-CE 3.99Å; L471-M499 HydrophobicContact CD1-SD 3.77Å; L471-M499 HydrophobicContact CD2-SD 3.59Å; L471-M499 VanDerWaalsContact CD2-SD 3.59Å; L471-M499 HydrophobicContact CG-CE 4.13Å; L471-M499 HydrophobicContact CG-SD 3.8Å; Y495-M499 HydrophobicContact CD1-SD 4.34Å; Y495-M499 HydrophobicContact CE1-CE 3.6Å; Y495-M499 HydrophobicContact CE1-CG 4.43Å; Y495-M499 HydrophobicContact CE1-SD 3.57Å; Y495-M499 VanDerWaalsContact CE1-SD 3.57Å; Y495-M499 HydrophobicContact CE2-CE 4.18Å; Y495-M499 PolarHBondContact O-N 3.41Å; Y495-M499 WeakPolarHBondContact OH-CE 3.36Å; T496-M499 PolarHBondContact O-N 3.24Å; T496-M499 VanDerWaalsContact O-N 3.08Å
500G67.1Low72.7Confident20 Ų2037.1 Ų37.121%0.20621%0.211CC..  trans76.8170.6-178.100000111.7H482 T496 I498 L502H482-G500 PolarHBondContact CE1-O 3.22Å; H482-G500 PolarHBondContact NE2-O 3.07Å; T496-G500 PolarHBondContact O-N 3.39Å; I498-G500 PolarHBondContact O-N 2.86Å; G500-L502 PolarHBondContact O-N 3.18Å
501H62.3Low73.1Confident108 Ų10834.6 Ų34.650%0.521%0.208SC..  trans-75.1112.8-178.9-65.742.9000109.5T169 E492 D503T169-H501 VanDerWaalsContact CG2-O 3.28Å; T169-H501 WeakPolarHBondContact CG2-O 3.25Å; E492-H501 IonicContact OE1-CE1 3.65Å; E492-H501 PolarHBondContact OE1-CE1 2.82Å; E492-H501 IonicContact OE1-ND1 3.64Å; E492-H501 IonicContact OE1-NE2 3.5Å; E492-H501 IonicContact OE2-CE1 3.37Å; H501-D503 PolarHBondContact O-N 3.35Å
502L59.5Low73.2Confident7 Ų736.8 Ų36.84%0.03722%0.215CC..G310 helixtrans-75.112.7-173.5-64.5164.1000114T169 I172 A173 G500 V504 I505 A509T169-L502 HydrophobicContact CG2-CD2 4.14Å; I172-L502 HydrophobicContact CB-CD2 4.45Å; I172-L502 HydrophobicContact CG2-CD2 3.97Å; A173-L502 HydrophobicContact CB-CD2 3.67Å; G500-L502 PolarHBondContact O-N 3.18Å; L502-V504 PolarHBondContact O-N 3.37Å; L502-I505 PolarHBondContact O-N 2.93Å; L502-A509 HydrophobicContact CB-CB 3.98Å
503D59.6Low72.7Confident102 Ų10235.3 Ų35.355%0.54521%0.209SC..G310 helixtrans-63.6-13.2-169.1-59.5-21.5000114.3H501 I505H501-D503 PolarHBondContact O-N 3.35Å; D503-I505 PolarHBondContact O-N 2.92Å
504V58.1Low72Confident14 Ų1436.4 Ų36.49%0.08521%0.214CC..G310 helixtrans-63.7-23.7178.7-174.40000112.5H160 N166 T169 I170 L502H160-V504 HydrophobicContact CB-CG1 4.13Å; H160-V504 PolarHBondContact CD2-O 3.29Å; H160-V504 VanDerWaalsContact CD2-O 3.3Å; N166-V504 HydrophobicContact CB-CG1 4.18Å; N166-V504 HydrophobicContact CB-CG2 4.46Å; T169-V504 HydrophobicContact CG2-CB 4.32Å; T169-V504 HydrophobicContact CG2-CG2 3.94Å; I170-V504 HydrophobicContact CD1-CG1 4.07Å; I170-V504 HydrophobicContact CG1-CG1 3.92Å; L502-V504 PolarHBondContact O-N 3.37Å
505I66.3Low71.7Confident3 Ų343.2 Ų43.22%0.01524%0.239CC..G310 helixtrans-129.671.6173.6-41.8176.3000110.1Y154 I170 L502 D503 A507 I508 A509Y154-I505 HydrophobicContact CD1-CG2 4.41Å; Y154-I505 HydrophobicContact CE1-CG2 4.07Å; I170-I505 HydrophobicContact CB-CD1 4.25Å; I170-I505 HydrophobicContact CG1-CD1 3.94Å; I170-I505 HydrophobicContact CG1-CG1 4.06Å; I170-I505 HydrophobicContact CG2-CD1 4.03Å; L502-I505 PolarHBondContact O-N 2.93Å; D503-I505 PolarHBondContact O-N 2.92Å; I505-A507 PolarHBondContact O-N 3.49Å; I505-I508 HydrophobicContact CB-CB 4.38Å; I505-I508 HydrophobicContact CD1-CD1 4.23Å; I505-I508 HydrophobicContact CG2-CB 3.91Å; I505-I508 HydrophobicContact CG2-CD1 3.83Å; I505-I508 HydrophobicContact CG2-CG1 3.68Å; I505-I508 PolarHBondContact O-N 2.9Å; I505-A509 WeakPolarHBondContact O-CB 3.29Å; I505-A509 PolarHBondContact O-N 2.97Å
506E65.7Low71.5Confident134 Ų13445 Ų4563%0.62625%0.247SC*.Hα-helixtrans-51.7-34.5-179-171.2173.5-163.700113.2K485 I508 G510K485-E506 IonicContact NZ-OE1 3.7Å; E506-I508 PolarHBondContact O-N 3.26Å; E506-G510 WeakPolarHBondContact O-CA 3.29Å; E506-G510 PolarHBondContact O-N 3.08Å
507A66.4Low71.4Confident46 Ų4645.1 Ų45.138%0.3825%0.248SC..Iπ-helixtrans-60.6-45.3177.200000113I505 S511I505-A507 PolarHBondContact O-N 3.49Å; A507-S511 WeakPolarHBondContact O-CB 3.41Å; A507-S511 PolarHBondContact O-N 3.08Å
508I66.6Low71.4Confident37 Ų3743.9 Ų43.919%0.1923%0.232CC..Iπ-helixtrans-79.5-46.4-179.4-63-179000110L151 T177 I505 E506 N513L151-I508 HydrophobicContact CD2-CD1 3.96Å; T177-I508 HydrophobicContact CG2-CG2 3.93Å; T177-I508 WeakPolarHBondContact OG1-CG2 3.44Å; I505-I508 HydrophobicContact CB-CB 4.38Å; I505-I508 HydrophobicContact CD1-CD1 4.23Å; I505-I508 HydrophobicContact CG2-CB 3.91Å; I505-I508 HydrophobicContact CG2-CD1 3.83Å; I505-I508 HydrophobicContact CG2-CG1 3.68Å; I505-I508 PolarHBondContact O-N 2.9Å; E506-I508 PolarHBondContact O-N 3.26Å; I508-N513 PolarHBondContact O-N 2.88Å
509A64.9Low71.8Confident12 Ų1244.7 Ų44.710%0.09924%0.241CC..Iπ-helixtrans-67.2-42.3-176.600000112.4L502 I505L502-A509 HydrophobicContact CB-CB 3.98Å; I505-A509 WeakPolarHBondContact O-CB 3.29Å; I505-A509 PolarHBondContact O-N 2.97Å
510G66Low72.5Confident14 Ų1444.7 Ų44.714%0.14424%0.241CC..Iπ-helixtrans-92.3-40.4-172.600000114.9E506 I514E506-G510 WeakPolarHBondContact O-CA 3.29Å; E506-G510 PolarHBondContact O-N 3.08Å; G510-I514 WeakPolarHBondContact O-CB 3.38Å; G510-I514 WeakPolarHBondContact O-CD1 3.4Å; G510-I514 WeakPolarHBondContact O-CG1 3.11Å
511S72.7Confident73.6Confident71 Ų7145.7 Ų45.750%0.49724%0.241SC..Iπ-helixtrans-92.1-54.8-177.7-62.20000111.7A507 Y515A507-S511 WeakPolarHBondContact O-CB 3.41Å; A507-S511 PolarHBondContact O-N 3.08Å; S511-Y515 WeakPolarHBondContact O-CD2 3.25Å; S511-Y515 PolarHBondContact O-N 3.39Å; S511-Y515 VanDerWaalsContact O-N 3.09Å
512F77.3Confident75Confident73 Ų7345.8 Ų45.832%0.3224%0.244SC..Iπ-helixtrans-66.7-53.1-173.3-175.1-88.1000111.9T177 I514 Y515 F516T177-F512 HydrophobicContact CG2-CD1 3.56Å; T177-F512 HydrophobicContact CG2-CE1 3.51Å; T177-F512 HydrophobicContact CG2-CG 4.44Å; T177-F512 HydrophobicContact CG2-CZ 4.37Å; F512-I514 PolarHBondContact O-N 3.15Å; F512-Y515 PolarHBondContact O-N 3.15Å; F512-F516 HydrophobicContact CD1-CB 4Å; F512-F516 HydrophobicContact CD1-CG 4.35Å; F512-F516 HydrophobicContact CD2-CB 4.14Å; F512-F516 HydrophobicContact CD2-CD2 4.49Å; F512-F516 HydrophobicContact CD2-CG 4.42Å; F512-F516 HydrophobicContact CE1-CB 3.8Å; F512-F516 AromaticContact CE1-CD1 3.72Å; F512-F516 HydrophobicContact CE1-CD1 3.72Å; F512-F516 HydrophobicContact CE1-CD2 4.3Å; F512-F516 HydrophobicContact CE1-CE1 4.42Å; F512-F516 AromaticContact CE1-CG 3.66Å; F512-F516 HydrophobicContact CE1-CG 3.66Å; F512-F516 HydrophobicContact CE2-CB 3.94Å; F512-F516 HydrophobicContact CE2-CD1 4.47Å; F512-F516 AromaticContact CE2-CD2 3.59Å; F512-F516 HydrophobicContact CE2-CD2 3.59Å; F512-F516 HydrophobicContact CE2-CE2 4.24Å; F512-F516 AromaticContact CE2-CG 3.73Å; F512-F516 HydrophobicContact CE2-CG 3.73Å; F512-F516 HydrophobicContact CG-CB 4.18Å; F512-F516 HydrophobicContact CZ-CB 3.78Å; F512-F516 AromaticContact CZ-CD1 3.62Å; F512-F516 HydrophobicContact CZ-CD1 3.62Å; F512-F516 AromaticContact CZ-CD2 3.48Å; F512-F516 HydrophobicContact CZ-CD2 3.48Å; F512-F516 VanDerWaalsContact CZ-CD2 3.48Å; F512-F516 HydrophobicContact CZ-CE1 4.09Å; F512-F516 AromaticContact CZ-CE2 3.94Å; F512-F516 HydrophobicContact CZ-CE2 3.94Å; F512-F516 AromaticContact CZ-CG 3.3Å; F512-F516 HydrophobicContact CZ-CG 3.3Å; F512-F516 HydrophobicContact CZ-CZ 4.23Å; F512-F516 WeakPolarHBondContact O-CB 3.23Å; F512-F516 PolarHBondContact O-N 2.67Å
513N73.6Confident76.5Confident11 Ų1147.5 Ų47.56%0.05925%0.254CS..Hα-helixtrans-66.5-19.8-176.2-68.5-19.8000113.9M180 I508 P517M180-N513 HydrophobicContact CE-CB 4.23Å; M180-N513 HydrophobicContact SD-CB 4.04Å; M180-N513 PolarHBondContact SD-OD1 2.86Å; I508-N513 PolarHBondContact O-N 2.88Å; N513-P517 VanDerWaalsContact O-CD 3.22Å; N513-P517 WeakPolarHBondContact O-CD 3.44Å; N513-P517 VanDerWaalsContact O-CG 3.3Å; N513-P517 WeakPolarHBondContact O-CG 3.41Å
514I76Confident78.2Confident23 Ų2343.1 Ų43.112%0.11823%0.231CC..Hα-helixtrans-83.8-48175.5-58.4-170000111.1F388 F389 V483 G510 F512 M518F388-I514 VanDerWaalsContact CZ-O 3.26Å; F388-I514 WeakPolarHBondContact CZ-O 3.48Å; F389-I514 HydrophobicContact CB-CG2 4.46Å; V483-I514 HydrophobicContact CG1-CG1 4.19Å; V483-I514 WeakPolarHBondContact O-CD1 3.15Å; G510-I514 WeakPolarHBondContact O-CB 3.38Å; G510-I514 WeakPolarHBondContact O-CD1 3.4Å; G510-I514 WeakPolarHBondContact O-CG1 3.11Å; F512-I514 PolarHBondContact O-N 3.15Å; I514-M518 HydrophobicContact CG2-CE 4.37Å; I514-M518 VanDerWaalsContact O-CE 3.31Å; I514-M518 WeakPolarHBondContact O-CE 3.44Å
515Y82.7Confident79.7Confident148 Ų14847.5 Ų47.558%0.5825%0.252SS*.Hα-helixtrans-89.6-30.8-173.5-62.9-67.2000114.3S511 F512 M518S511-Y515 WeakPolarHBondContact O-CD2 3.25Å; S511-Y515 PolarHBondContact O-N 3.39Å; S511-Y515 VanDerWaalsContact O-N 3.09Å; F512-Y515 PolarHBondContact O-N 3.15Å; Y515-M518 HydrophobicContact CD1-CE 3.56Å; Y515-M518 HydrophobicContact CD1-SD 4.13Å; Y515-M518 HydrophobicContact CE1-CE 4.1Å; Y515-M518 HydrophobicContact CG-CE 4.45Å; Y515-M518 VanDerWaalsContact O-CB 3.31Å; Y515-M518 WeakPolarHBondContact O-CB 3.49Å; Y515-M518 PolarHBondContact O-N 3.25Å; Y515-M518 VanDerWaalsContact O-N 3.13Å
516F84.9Confident80.9Confident43 Ų4349.1 Ų49.119%0.18926%0.263CS..G310 helixtrans-64.3-39.4-175-177.7-98.1000113.7M180 F181 V184 F512 M518 A519M180-F516 HydrophobicContact CG-CD1 4.22Å; F181-F516 VanDerWaalsContact CA-CE1 3.47Å; F181-F516 HydrophobicContact CB-CE1 4.36Å; F181-F516 HydrophobicContact CB-CZ 4.41Å; F181-F516 HydrophobicContact CD2-CE1 4.3Å; F181-F516 HydrophobicContact CD2-CE2 4.14Å; F181-F516 AromaticContact CD2-CZ 3.54Å; F181-F516 HydrophobicContact CD2-CZ 3.54Å; F181-F516 HydrophobicContact CE2-CZ 4.2Å; F181-F516 HydrophobicContact CG-CZ 4.32Å; V184-F516 HydrophobicContact CB-CD1 4.26Å; V184-F516 HydrophobicContact CB-CE1 3.52Å; V184-F516 HydrophobicContact CB-CZ 4.08Å; V184-F516 HydrophobicContact CG1-CE1 3.84Å; V184-F516 HydrophobicContact CG1-CZ 4.01Å; V184-F516 HydrophobicContact CG2-CD1 3.72Å; V184-F516 HydrophobicContact CG2-CE1 3.47Å; V184-F516 VanDerWaalsContact CG2-CE1 3.47Å; V184-F516 HydrophobicContact CG2-CZ 4.44Å; F512-F516 HydrophobicContact CD1-CB 4Å; F512-F516 HydrophobicContact CD1-CG 4.35Å; F512-F516 HydrophobicContact CD2-CB 4.14Å; F512-F516 HydrophobicContact CD2-CD2 4.49Å; F512-F516 HydrophobicContact CD2-CG 4.42Å; F512-F516 HydrophobicContact CE1-CB 3.8Å; F512-F516 AromaticContact CE1-CD1 3.72Å; F512-F516 HydrophobicContact CE1-CD1 3.72Å; F512-F516 HydrophobicContact CE1-CD2 4.3Å; F512-F516 HydrophobicContact CE1-CE1 4.42Å; F512-F516 AromaticContact CE1-CG 3.66Å; F512-F516 HydrophobicContact CE1-CG 3.66Å; F512-F516 HydrophobicContact CE2-CB 3.94Å; F512-F516 HydrophobicContact CE2-CD1 4.47Å; F512-F516 AromaticContact CE2-CD2 3.59Å; F512-F516 HydrophobicContact CE2-CD2 3.59Å; F512-F516 HydrophobicContact CE2-CE2 4.24Å; F512-F516 AromaticContact CE2-CG 3.73Å; F512-F516 HydrophobicContact CE2-CG 3.73Å; F512-F516 HydrophobicContact CG-CB 4.18Å; F512-F516 HydrophobicContact CZ-CB 3.78Å; F512-F516 AromaticContact CZ-CD1 3.62Å; F512-F516 HydrophobicContact CZ-CD1 3.62Å; F512-F516 AromaticContact CZ-CD2 3.48Å; F512-F516 HydrophobicContact CZ-CD2 3.48Å; F512-F516 VanDerWaalsContact CZ-CD2 3.48Å; F512-F516 HydrophobicContact CZ-CE1 4.09Å; F512-F516 AromaticContact CZ-CE2 3.94Å; F512-F516 HydrophobicContact CZ-CE2 3.94Å; F512-F516 AromaticContact CZ-CG 3.3Å; F512-F516 HydrophobicContact CZ-CG 3.3Å; F512-F516 HydrophobicContact CZ-CZ 4.23Å; F512-F516 WeakPolarHBondContact O-CB 3.23Å; F512-F516 PolarHBondContact O-N 2.67Å; F516-M518 PolarHBondContact O-N 3.15Å; F516-M518 VanDerWaalsContact O-N 3.16Å; F516-A519 WeakPolarHBondContact O-CB 3.19Å; F516-A519 PolarHBondContact O-N 2.99Å
517P85.1Confident82Confident4 Ų444 Ų443%0.02624%0.24CC..G310 helixtrans-55.2-29.7172-29.138000114.5M180 F388 N513 A519 I520M180-P517 HydrophobicContact CE-CG 3.85Å; M180-P517 HydrophobicContact CG-CG 4.33Å; M180-P517 HydrophobicContact SD-CG 3.63Å; F388-P517 HydrophobicContact CE1-CB 4.32Å; N513-P517 VanDerWaalsContact O-CD 3.22Å; N513-P517 WeakPolarHBondContact O-CD 3.44Å; N513-P517 VanDerWaalsContact O-CG 3.3Å; N513-P517 WeakPolarHBondContact O-CG 3.41Å; P517-A519 PolarHBondContact O-N 3.42Å; P517-A519 VanDerWaalsContact O-N 3.12Å; P517-I520 VanDerWaalsContact O-CB 3.25Å; P517-I520 WeakPolarHBondContact O-CB 3.24Å; P517-I520 WeakPolarHBondContact O-CG1 3.28Å; P517-I520 PolarHBondContact O-N 2.95Å
518M84.4Confident83.1Confident38 Ų3848.7 Ų48.719%0.18725%0.249CC..G310 helixtrans-64.6-18.8176.7-52-178.2-158.500112.7F388 F389 I514 Y515 F516 I520 I521F388-M518 HydrophobicContact CE1-CG 4.46Å; F389-M518 HydrophobicContact CB-CE 4.07Å; F389-M518 HydrophobicContact CD1-CE 3.2Å; F389-M518 HydrophobicContact CD1-SD 3.92Å; F389-M518 HydrophobicContact CE1-CE 3.75Å; F389-M518 HydrophobicContact CE1-SD 3.85Å; F389-M518 HydrophobicContact CG-CE 3.81Å; I514-M518 HydrophobicContact CG2-CE 4.37Å; I514-M518 VanDerWaalsContact O-CE 3.31Å; I514-M518 WeakPolarHBondContact O-CE 3.44Å; Y515-M518 HydrophobicContact CD1-CE 3.56Å; Y515-M518 HydrophobicContact CD1-SD 4.13Å; Y515-M518 HydrophobicContact CE1-CE 4.1Å; Y515-M518 HydrophobicContact CG-CE 4.45Å; Y515-M518 VanDerWaalsContact O-CB 3.31Å; Y515-M518 WeakPolarHBondContact O-CB 3.49Å; Y515-M518 PolarHBondContact O-N 3.25Å; Y515-M518 VanDerWaalsContact O-N 3.13Å; F516-M518 PolarHBondContact O-N 3.15Å; F516-M518 VanDerWaalsContact O-N 3.16Å; M518-I520 PolarHBondContact O-N 3.28Å; M518-I520 VanDerWaalsContact O-N 3.15Å; M518-I521 WeakPolarHBondContact O-CB 3.45Å; M518-I521 WeakPolarHBondContact O-CG1 3.41Å; M518-I521 PolarHBondContact O-N 3.49Å
519A90.6Very high84.1Confident30 Ų3052 Ų5225%0.24826%0.262CS..Hα-helixtrans-62.3-16.9171.800000112.7V184 F516 P517 I521 L522 L523V184-A519 HydrophobicContact CG1-CB 4.04Å; F516-A519 WeakPolarHBondContact O-CB 3.19Å; F516-A519 PolarHBondContact O-N 2.99Å; P517-A519 PolarHBondContact O-N 3.42Å; P517-A519 VanDerWaalsContact O-N 3.12Å; A519-I521 PolarHBondContact O-N 2.92Å; A519-L522 PolarHBondContact O-N 3.18Å; A519-L523 WeakPolarHBondContact O-CB 3.49Å; A519-L523 VanDerWaalsContact O-CG 3.29Å; A519-L523 WeakPolarHBondContact O-CG 3.31Å; A519-L523 PolarHBondContact O-N 2.96Å
520I92.1Very high84.9Confident1 Ų155.6 Ų55.61%0.00527%0.274CS..Hα-helixtrans-53-40169-69.5173.1000110.4V184 L187 L191 E385 P517 M518 L523 C524V184-I520 HydrophobicContact CB-CG1 4.17Å; V184-I520 HydrophobicContact CG1-CG1 3.91Å; V184-I520 HydrophobicContact CG2-CD1 4.28Å; V184-I520 HydrophobicContact CG2-CG1 4.07Å; L187-I520 HydrophobicContact CB-CD1 4.21Å; L187-I520 HydrophobicContact CD1-CD1 4.08Å; L191-I520 HydrophobicContact CD1-CG2 3.7Å; E385-I520 HydrophobicContact CG-CD1 4.38Å; P517-I520 VanDerWaalsContact O-CB 3.25Å; P517-I520 WeakPolarHBondContact O-CB 3.24Å; P517-I520 WeakPolarHBondContact O-CG1 3.28Å; P517-I520 PolarHBondContact O-N 2.95Å; M518-I520 PolarHBondContact O-N 3.28Å; M518-I520 VanDerWaalsContact O-N 3.15Å; I520-L523 PolarHBondContact O-N 3.46Å; I520-C524 WeakPolarHBondContact O-CB 3.36Å; I520-C524 PolarHBondContact O-N 2.79Å; I520-C524 PolarHBondContact O-SG 3.05Å
521I91Very high85.5Confident40 Ų4058 Ų5821%0.20528%0.283CS..Hα-helixtrans-62.5-50179.3-56.5162.9000110.2V382 M518 A519 L523 C524 M525V382-I521 HydrophobicContact CG1-CG1 4.28Å; M518-I521 WeakPolarHBondContact O-CB 3.45Å; M518-I521 WeakPolarHBondContact O-CG1 3.41Å; M518-I521 PolarHBondContact O-N 3.49Å; A519-I521 PolarHBondContact O-N 2.92Å; I521-L523 VanDerWaalsContact C-N 3.31Å; I521-L523 PolarHBondContact O-N 3.46Å; I521-C524 PolarHBondContact O-N 3.49Å; I521-M525 HydrophobicContact CG2-CE 3.73Å; I521-M525 HydrophobicContact CG2-SD 4.37Å; I521-M525 WeakPolarHBondContact O-CG 3.39Å; I521-M525 PolarHBondContact O-N 2.85Å
522L91.3Very high85.5Confident110 Ų11055.7 Ų55.758%0.57627%0.27SS*.Hα-helixtrans-59.6-44.8178.3178.364.1000110.4A519 M525 C526A519-L522 PolarHBondContact O-N 3.18Å; L522-M525 PolarHBondContact O-N 3.49Å; L522-C526 WeakPolarHBondContact O-CB 3.34Å; L522-C526 PolarHBondContact O-N 3.03Å; L522-C526 PolarHBondContact O-SG 3.06Å
523L92.1Very high85.1Confident44 Ų4453.3 Ų53.323%0.2326%0.261CS..Hα-helixtrans-66.3-38.9178.6-69169.3000112.4V184 L185 A519 I520 I521 C526 T527V184-L523 HydrophobicContact CG1-CD1 3.64Å; V184-L523 WeakPolarHBondContact O-CD1 3.41Å; L185-L523 HydrophobicContact CD2-CD1 4Å; L185-L523 HydrophobicContact CD2-CD2 4.35Å; A519-L523 WeakPolarHBondContact O-CB 3.49Å; A519-L523 VanDerWaalsContact O-CG 3.29Å; A519-L523 WeakPolarHBondContact O-CG 3.31Å; A519-L523 PolarHBondContact O-N 2.96Å; I520-L523 PolarHBondContact O-N 3.46Å; I521-L523 VanDerWaalsContact C-N 3.31Å; I521-L523 PolarHBondContact O-N 3.46Å; L523-C526 PolarHBondContact O-N 2.92Å; L523-T527 VanDerWaalsContact O-CB 3.29Å; L523-T527 WeakPolarHBondContact O-CB 3.48Å; L523-T527 PolarHBondContact O-N 3.37Å; L523-T527 PolarHBondContact O-OG1 3.48Å
524C93.4Very high85.1Confident10 Ų1059.8 Ų59.87%0.06829%0.285CS..Hα-helixtrans-62.7-45.9172.5-74.70000110.8G188 V192 I520 I521 T527 Y528G188-C524 PolarHBondContact O-SG 2.7Å; V192-C524 HydrophobicContact CG2-CB 3.79Å; I520-C524 WeakPolarHBondContact O-CB 3.36Å; I520-C524 PolarHBondContact O-N 2.79Å; I520-C524 PolarHBondContact O-SG 3.05Å; I521-C524 PolarHBondContact O-N 3.49Å; C524-T527 PolarHBondContact O-N 2.88Å; C524-Y528 WeakPolarHBondContact O-CB 3.33Å; C524-Y528 PolarHBondContact O-N 3.15Å
525M91.3Very high84.8Confident106 Ų10663.8 Ų63.852%0.52231%0.306SS..Hα-helixtrans-61-47.7175.6-71.3-177.5-178.200111.4I521 L522 T527 Y528 F529I521-M525 HydrophobicContact CG2-CE 3.73Å; I521-M525 HydrophobicContact CG2-SD 4.37Å; I521-M525 WeakPolarHBondContact O-CG 3.39Å; I521-M525 PolarHBondContact O-N 2.85Å; L522-M525 PolarHBondContact O-N 3.49Å; M525-T527 VanDerWaalsContact C-N 3.32Å; M525-T527 PolarHBondContact O-N 3.27Å; M525-Y528 PolarHBondContact O-N 2.91Å; M525-F529 VanDerWaalsContact O-CD2 3.23Å; M525-F529 WeakPolarHBondContact O-CD2 3.32Å; M525-F529 PolarHBondContact O-N 3.45Å
526C90.6Very high84Confident36 Ų3659.3 Ų59.324%0.24329%0.292CS..Hα-helixtrans-57.4-43.5176.1-740000112.1L522 L523 R530 L531L522-C526 WeakPolarHBondContact O-CB 3.34Å; L522-C526 PolarHBondContact O-N 3.03Å; L522-C526 PolarHBondContact O-SG 3.06Å; L523-C526 PolarHBondContact O-N 2.92Å; C526-R530 CarbonylContact O-C 3.56Å; C526-R530 VanDerWaalsContact O-CA 3.31Å; C526-R530 WeakPolarHBondContact O-CA 3.38Å; C526-R530 PolarHBondContact O-N 3.06Å; C526-L531 HydrophobicContact CB-CB 4.43Å; C526-L531 PolarHBondContact O-N 3.17Å
527T88.5Confident82.9Confident26 Ų2661 Ų6116%0.1630%0.3CS..Hα-helixtrans-71.6-38.4179-55.30000111.5Y189 V192 L523 C524 M525 R530Y189-T527 HydrophobicContact CD2-CG2 3.69Å; Y189-T527 HydrophobicContact CE2-CG2 4.09Å; Y189-T527 HydrophobicContact CG-CG2 4.45Å; V192-T527 HydrophobicContact CB-CG2 3.99Å; V192-T527 HydrophobicContact CG1-CG2 4.11Å; L523-T527 VanDerWaalsContact O-CB 3.29Å; L523-T527 WeakPolarHBondContact O-CB 3.48Å; L523-T527 PolarHBondContact O-N 3.37Å; L523-T527 PolarHBondContact O-OG1 3.48Å; C524-T527 PolarHBondContact O-N 2.88Å; M525-T527 VanDerWaalsContact C-N 3.32Å; M525-T527 PolarHBondContact O-N 3.27Å; T527-R530 PolarHBondContact O-N 2.89Å
528Y89.3Confident82.2Confident146 Ų14669.2 Ų69.257%0.57334%0.335SS*.Hα-helixtrans-63.4-53.3179-177.7-96.4000111.2V192 R196 C524 M525 R530V192-Y528 HydrophobicContact CG1-CD2 4.27Å; R196-Y528 PolarHBondContact NH2-O 2.7Å; C524-Y528 WeakPolarHBondContact O-CB 3.33Å; C524-Y528 PolarHBondContact O-N 3.15Å; M525-Y528 PolarHBondContact O-N 2.91Å; Y528-R530 PolarHBondContact O-N 3.32Å
529F88.5Confident81.8Confident105 Ų10572.8 Ų72.846%0.46135%0.354SS..THydrogen-bonded Turntrans-79.4-1.6178.9-65.7-64.1000114M525 L531 R534M525-F529 VanDerWaalsContact O-CD2 3.23Å; M525-F529 WeakPolarHBondContact O-CD2 3.32Å; M525-F529 PolarHBondContact O-N 3.45Å; F529-L531 HydrophobicContact CB-CD2 3.98Å; F529-L531 HydrophobicContact CB-CG 3.95Å; F529-L531 PolarHBondContact O-N 3.12Å; F529-R534 PolarHBondContact O-NE 2.85Å
530R81.3Confident80.1Confident89 Ų8974 Ų7434%0.33637%0.37SS..THydrogen-bonded Turntrans50.443.9-173.7-50.1-170.2-164.2157.415.5112C526 T527 Y528 G532 T533 R534 P647C526-R530 CarbonylContact O-C 3.56Å; C526-R530 VanDerWaalsContact O-CA 3.31Å; C526-R530 WeakPolarHBondContact O-CA 3.38Å; C526-R530 PolarHBondContact O-N 3.06Å; T527-R530 PolarHBondContact O-N 2.89Å; Y528-R530 PolarHBondContact O-N 3.32Å; R530-G532 PolarHBondContact O-N 3.42Å; R530-T533 WeakPolarHBondContact CB-OG1 3.39Å; R530-T533 PolarHBondContact O-N 3.21Å; R530-T533 PolarHBondContact O-OG1 2.94Å; R530-R534 WeakPolarHBondContact O-CG 2.93Å; R530-R534 PolarHBondContact O-N 3.42Å; R530-P647 VanDerWaalsContact NH2-CG 3.33Å
531L79.5Confident78.1Confident65 Ų6579.1 Ų79.134%0.3439%0.392SS..Hα-helixtrans-60.3-33.2179.8-64.7-178.1000111.4C526 F529 R534 L535C526-L531 HydrophobicContact CB-CB 4.43Å; C526-L531 PolarHBondContact O-N 3.17Å; F529-L531 HydrophobicContact CB-CD2 3.98Å; F529-L531 HydrophobicContact CB-CG 3.95Å; F529-L531 PolarHBondContact O-N 3.12Å; L531-R534 PolarHBondContact O-N 3.04Å; L531-L535 VanDerWaalsContact O-CB 3.26Å; L531-L535 WeakPolarHBondContact O-CB 3.42Å; L531-L535 WeakPolarHBondContact O-CG 3.4Å; L531-L535 PolarHBondContact O-N 3.24Å
532G72.4Confident75.7Confident21 Ų2183.7 Ų83.722%0.21641%0.413CS..Hα-helixtrans-59.2-48.6177.500000113.5R530 L535 L536R530-G532 PolarHBondContact O-N 3.42Å; G532-L535 PolarHBondContact O-N 2.94Å; G532-L536 WeakPolarHBondContact O-CB 3.36Å; G532-L536 WeakPolarHBondContact O-CG 3.49Å; G532-L536 PolarHBondContact O-N 3.39Å
533T68.7Low73.6Confident23 Ų2385.6 Ų85.614%0.14142%0.419CS..Hα-helixtrans-68.2-37.5177.958.40000111.4R530 L536 H537R530-T533 WeakPolarHBondContact CB-OG1 3.39Å; R530-T533 PolarHBondContact O-N 3.21Å; R530-T533 PolarHBondContact O-OG1 2.94Å; T533-L536 PolarHBondContact O-N 2.87Å; T533-H537 WeakPolarHBondContact O-CB 3.44Å; T533-H537 PolarHBondContact O-N 3.38Å
534R72.4Confident70.9Confident148 Ų14886.9 Ų86.956%0.55842%0.422SS*.Hα-helixtrans-65.9-38.9175.4-68.3178.5178.9-176.10.9113F529 R530 L531 F538F529-R534 PolarHBondContact O-NE 2.85Å; R530-R534 WeakPolarHBondContact O-CG 2.93Å; R530-R534 PolarHBondContact O-N 3.42Å; L531-R534 PolarHBondContact O-N 3.04Å; R534-F538 WeakPolarHBondContact O-CB 3.05Å; R534-F538 PolarHBondContact O-N 3.07Å
535L71.1Confident68.2Low106 Ų10689.9 Ų89.956%0.55544%0.437SS*.Hα-helixtrans-68.1-43.5176.1-76.3169.3000111L531 G532 H537 F538 I539L531-L535 VanDerWaalsContact O-CB 3.26Å; L531-L535 WeakPolarHBondContact O-CB 3.42Å; L531-L535 WeakPolarHBondContact O-CG 3.4Å; L531-L535 PolarHBondContact O-N 3.24Å; G532-L535 PolarHBondContact O-N 2.94Å; L535-H537 VanDerWaalsContact C-N 3.32Å; L535-H537 PolarHBondContact O-N 3.29Å; L535-F538 WeakPolarHBondContact O-CB 3.45Å; L535-F538 PolarHBondContact O-N 2.9Å; L535-F538 VanDerWaalsContact O-N 3.13Å; L535-I539 VanDerWaalsContact O-CG1 3.28Å; L535-I539 WeakPolarHBondContact O-CG1 3.46Å; L535-I539 PolarHBondContact O-N 3.27Å
536L65.2Low65.9Low54 Ų5486 Ų8628%0.28342%0.417SS..Hα-helixtrans-60.5-42.8174.9-79.1167.4000111.9G532 T533 I539 G540 F541 F544G532-L536 WeakPolarHBondContact O-CB 3.36Å; G532-L536 WeakPolarHBondContact O-CG 3.49Å; G532-L536 PolarHBondContact O-N 3.39Å; T533-L536 PolarHBondContact O-N 2.87Å; L536-I539 PolarHBondContact O-N 3.16Å; L536-G540 PolarHBondContact O-N 3.06Å; L536-F541 HydrophobicContact CD2-CD2 4.23Å; L536-F541 PolarHBondContact O-N 3.5Å; L536-F541 VanDerWaalsContact O-N 3.17Å; L536-F544 HydrophobicContact CB-CB 3.67Å; L536-F544 HydrophobicContact CB-CD2 3.83Å; L536-F544 HydrophobicContact CB-CG 4.12Å; L536-F544 HydrophobicContact CD1-CB 3.92Å; L536-F544 HydrophobicContact CD1-CD2 3.93Å; L536-F544 HydrophobicContact CD1-CG 3.9Å; L536-F544 HydrophobicContact CD2-CD2 3.69Å; L536-F544 HydrophobicContact CD2-CE2 4.03Å; L536-F544 HydrophobicContact CD2-CG 4.49Å; L536-F544 HydrophobicContact CG-CB 4.35Å; L536-F544 HydrophobicContact CG-CD2 4.02Å; L536-F544 HydrophobicContact CG-CG 4.4Å
537H63Low63.6Low78 Ų7887.1 Ų87.136%0.36142%0.421SS..Hα-helixtrans-60.5-43.9171.8174.8-87.9000111.8T533 L535 I539 G540 M545T533-H537 WeakPolarHBondContact O-CB 3.44Å; T533-H537 PolarHBondContact O-N 3.38Å; L535-H537 VanDerWaalsContact C-N 3.32Å; L535-H537 PolarHBondContact O-N 3.29Å; H537-I539 VanDerWaalsContact C-N 3.26Å; H537-I539 PolarHBondContact O-N 3.24Å; H537-G540 PolarHBondContact O-N 3.47Å; H537-M545 HydrophobicContact CB-CE 4.25Å; H537-M545 HydrophobicContact CB-CG 4.14Å; H537-M545 WeakPolarHBondContact CD2-CE 3.49Å; H537-M545 WeakPolarHBondContact NE2-CE 3.5Å
538F69.5Low61.9Low177 Ų17791 Ų9178%0.77644%0.441SS*.Hα-helixtrans-61.6-33.3175.9-178.7-97.3000112.9R534 L535 G540R534-F538 WeakPolarHBondContact O-CB 3.05Å; R534-F538 PolarHBondContact O-N 3.07Å; L535-F538 WeakPolarHBondContact O-CB 3.45Å; L535-F538 PolarHBondContact O-N 2.9Å; L535-F538 VanDerWaalsContact O-N 3.13Å; F538-G540 PolarHBondContact O-N 3Å
539I76.1Confident60.2Low114 Ų11489.7 Ų89.759%0.58544%0.443SS*.THydrogen-bonded Turntrans-73.7-4.6175.7-65.1163.4000111.9L535 L536 H537 F541L535-I539 VanDerWaalsContact O-CG1 3.28Å; L535-I539 WeakPolarHBondContact O-CG1 3.46Å; L535-I539 PolarHBondContact O-N 3.27Å; L536-I539 PolarHBondContact O-N 3.16Å; H537-I539 VanDerWaalsContact C-N 3.26Å; H537-I539 PolarHBondContact O-N 3.24Å; I539-F541 HydrophobicContact CB-CD2 4.24Å; I539-F541 HydrophobicContact CG2-CD2 3.81Å; I539-F541 HydrophobicContact CG2-CE2 3.72Å
540G55.3Low58.5Low56 Ų5687.4 Ų87.458%0.57744%0.435SS*.THydrogen-bonded Turntrans90.99.9175.900000113.9L536 H537 F538 E542L536-G540 PolarHBondContact O-N 3.06Å; H537-G540 PolarHBondContact O-N 3.47Å; F538-G540 PolarHBondContact O-N 3Å; G540-E542 VanDerWaalsContact C-N 3.26Å; G540-E542 PolarHBondContact O-N 3.45Å; G540-E542 VanDerWaalsContact O-N 3.08Å
541F48.9Very low58.1Low107 Ų10783.3 Ų83.347%0.46942%0.42SS..  trans-82.779.9165.2-66.2-82000108.9L536 I539 Q543 F544L536-F541 HydrophobicContact CD2-CD2 4.23Å; L536-F541 PolarHBondContact O-N 3.5Å; L536-F541 VanDerWaalsContact O-N 3.17Å; I539-F541 HydrophobicContact CB-CD2 4.24Å; I539-F541 HydrophobicContact CG2-CD2 3.81Å; I539-F541 HydrophobicContact CG2-CE2 3.72Å; F541-Q543 PolarHBondContact O-N 3.38Å; F541-F544 HydrophobicContact CB-CD2 3.1Å; F541-F544 HydrophobicContact CB-CE2 3.48Å; F541-F544 VanDerWaalsContact CB-CE2 3.48Å; F541-F544 HydrophobicContact CB-CG 4.12Å; F541-F544 HydrophobicContact CD1-CD2 4.09Å; F541-F544 AromaticContact CD1-CE2 3.49Å; F541-F544 HydrophobicContact CD1-CE2 3.49Å; F541-F544 VanDerWaalsContact CD1-CE2 3.49Å; F541-F544 HydrophobicContact CD1-CZ 4.43Å; F541-F544 HydrophobicContact CD2-CD2 4.19Å; F541-F544 HydrophobicContact CD2-CE2 4.04Å; F541-F544 HydrophobicContact CE1-CE2 4.17Å; F541-F544 AromaticContact CG-CD2 3.58Å; F541-F544 HydrophobicContact CG-CD2 3.58Å; F541-F544 AromaticContact CG-CE2 3.41Å; F541-F544 HydrophobicContact CG-CE2 3.41Å; F541-F544 VanDerWaalsContact CG-CE2 3.41Å; F541-F544 PolarHBondContact O-N 2.86Å
542E42.2Very low58.1Low136 Ų13682.3 Ų82.364%0.63642%0.422SS*.G310 helixtrans-56.1-21.8176-68.6-170.9169.600112.4G540 F544G540-E542 VanDerWaalsContact C-N 3.26Å; G540-E542 PolarHBondContact O-N 3.45Å; G540-E542 VanDerWaalsContact O-N 3.08Å; E542-F544 VanDerWaalsContact C-N 3.27Å; E542-F544 PolarHBondContact O-N 3.3Å
543Q45.4Very low58.6Low150 Ų15086.6 Ų86.670%0.70144%0.439SS*.G310 helixtrans-69.8-16.4177.4-163.8167.5-1.100114.2F541F541-Q543 PolarHBondContact O-N 3.38Å
544F36.5Very low59.4Low71 Ų7187.6 Ų87.631%0.31144%0.442SS..G310 helixtrans-100.8-11.2-173.5-66.5-51.2000115.7L536 F541 E542 E546L536-F544 HydrophobicContact CB-CB 3.67Å; L536-F544 HydrophobicContact CB-CD2 3.83Å; L536-F544 HydrophobicContact CB-CG 4.12Å; L536-F544 HydrophobicContact CD1-CB 3.92Å; L536-F544 HydrophobicContact CD1-CD2 3.93Å; L536-F544 HydrophobicContact CD1-CG 3.9Å; L536-F544 HydrophobicContact CD2-CD2 3.69Å; L536-F544 HydrophobicContact CD2-CE2 4.03Å; L536-F544 HydrophobicContact CD2-CG 4.49Å; L536-F544 HydrophobicContact CG-CB 4.35Å; L536-F544 HydrophobicContact CG-CD2 4.02Å; L536-F544 HydrophobicContact CG-CG 4.4Å; F541-F544 HydrophobicContact CB-CD2 3.1Å; F541-F544 HydrophobicContact CB-CE2 3.48Å; F541-F544 VanDerWaalsContact CB-CE2 3.48Å; F541-F544 HydrophobicContact CB-CG 4.12Å; F541-F544 HydrophobicContact CD1-CD2 4.09Å; F541-F544 AromaticContact CD1-CE2 3.49Å; F541-F544 HydrophobicContact CD1-CE2 3.49Å; F541-F544 VanDerWaalsContact CD1-CE2 3.49Å; F541-F544 HydrophobicContact CD1-CZ 4.43Å; F541-F544 HydrophobicContact CD2-CD2 4.19Å; F541-F544 HydrophobicContact CD2-CE2 4.04Å; F541-F544 HydrophobicContact CE1-CE2 4.17Å; F541-F544 AromaticContact CG-CD2 3.58Å; F541-F544 HydrophobicContact CG-CD2 3.58Å; F541-F544 AromaticContact CG-CE2 3.41Å; F541-F544 HydrophobicContact CG-CE2 3.41Å; F541-F544 VanDerWaalsContact CG-CE2 3.41Å; F541-F544 PolarHBondContact O-N 2.86Å; E542-F544 VanDerWaalsContact C-N 3.27Å; E542-F544 PolarHBondContact O-N 3.3Å; F544-E546 VanDerWaalsContact C-N 3.31Å
545M37Very low60.2Low74 Ų7481.8 Ų81.837%0.36542%0.423SS..SBendtrans-84.199.1139.5-86.7-153.5-66.700102.8H537 N547H537-M545 HydrophobicContact CB-CE 4.25Å; H537-M545 HydrophobicContact CB-CG 4.14Å; H537-M545 WeakPolarHBondContact CD2-CE 3.49Å; H537-M545 WeakPolarHBondContact NE2-CE 3.5Å; M545-N547 PolarHBondContact O-N 2.6Å
546E43.1Very low61.2Low24 Ų2479.2 Ų79.211%0.11241%0.411CS..  trans-49.795161.3-145.1-178.1-144.100105F213 F544 D548 I550 T551 A648F213-E546 VanDerWaalsContact CE2-OE1 3.24Å; F213-E546 WeakPolarHBondContact CE2-OE1 3.48Å; F213-E546 WeakPolarHBondContact CE2-OE2 3.4Å; F213-E546 WeakPolarHBondContact CZ-OE1 3.19Å; F213-E546 WeakPolarHBondContact CZ-OE2 3.33Å; F544-E546 VanDerWaalsContact C-N 3.31Å; E546-D548 PolarHBondContact O-N 3.47Å; E546-I550 HydrophobicContact CG-CG2 4.23Å; E546-T551 WeakPolarHBondContact CB-OG1 3.36Å; E546-T551 VanDerWaalsContact CG-OG1 3.27Å; E546-T551 WeakPolarHBondContact CG-OG1 3.17Å; E546-T551 PolarHBondContact OE2-OG1 2.85Å; E546-A648 HydrophobicContact CB-CB 4.37Å
547N41.1Very low62.4Low59 Ų5979.2 Ų79.232%0.31642%0.416SS..  trans-55.9141.3-171.2-83.6-30.4000104.9M545 D549 I550 T551M545-N547 PolarHBondContact O-N 2.6Å; N547-D549 HydrophobicContact CB-CB 4.33Å; N547-D549 CarbonylContact O-C 3.31Å; N547-D549 PolarHBondContact O-N 3.38Å; N547-I550 HydrophobicContact CB-CG1 4.44Å; N547-I550 PolarHBondContact O-N 3.02Å; N547-T551 PolarHBondContact O-N 3.36Å
548D54Low63.8Low109 Ų10975.5 Ų75.558%0.58340%0.399SS*.Hα-helixtrans-47.6-27.3177.5-76.1-28.3000111.1E546 A552 S645E546-D548 PolarHBondContact O-N 3.47Å; D548-A552 WeakPolarHBondContact O-CB 3.34Å; D548-A552 PolarHBondContact O-N 3.14Å; D548-S645 WeakPolarHBondContact OD1-CB 3.48Å; D548-S645 PolarHBondContact OD1-OG 2.89Å
549D52.2Low64.9Low117 Ų11769.1 Ų69.163%0.62637%0.371SS*.Hα-helixtrans-63.5-55.2168.5-58.1-29000114.9N547 T551 A552 D553N547-D549 HydrophobicContact CB-CB 4.33Å; N547-D549 CarbonylContact O-C 3.31Å; N547-D549 PolarHBondContact O-N 3.38Å; D549-T551 PolarHBondContact O-N 3.34Å; D549-A552 CarbonylContact O-C 3.58Å; D549-A552 WeakPolarHBondContact O-CB 3.39Å; D549-A552 PolarHBondContact O-N 3.5Å; D549-A552 VanDerWaalsContact O-N 3.16Å; D549-D553 WeakPolarHBondContact O-CB 3.36Å; D549-D553 VanDerWaalsContact O-CG 3.3Å; D549-D553 PolarHBondContact O-N 3.29Å
550I54Low65.8Low57 Ų5765 Ų6529%0.29235%0.353SS..Hα-helixtrans-62.5-45178.9-63.8174.6000110.2E546 N547 A552 D553 F554E546-I550 HydrophobicContact CG-CG2 4.23Å; N547-I550 HydrophobicContact CB-CG1 4.44Å; N547-I550 PolarHBondContact O-N 3.02Å; I550-A552 VanDerWaalsContact C-N 3.28Å; I550-A552 PolarHBondContact O-N 3.38Å; I550-D553 PolarHBondContact O-N 2.87Å; I550-F554 HydrophobicContact CG2-CD2 3.72Å; I550-F554 HydrophobicContact CG2-CE2 3.43Å; I550-F554 VanDerWaalsContact CG2-CE2 3.43Å; I550-F554 HydrophobicContact CG2-CZ 4.46Å; I550-F554 VanDerWaalsContact O-CD2 3.23Å; I550-F554 WeakPolarHBondContact O-CD2 3.09Å; I550-F554 PolarHBondContact O-N 2.93Å
551T72.4Confident67.7Low4 Ų464.5 Ų64.53%0.02534%0.337CS..Hα-helixtrans-62.4-39.5176.3-50.10000110.2F213 E546 N547 D549 V555 P646F213-T551 HydrophobicContact CD2-CG2 3.7Å; F213-T551 HydrophobicContact CE2-CG2 3.84Å; F213-T551 HydrophobicContact CG-CG2 4.47Å; E546-T551 WeakPolarHBondContact CB-OG1 3.36Å; E546-T551 VanDerWaalsContact CG-OG1 3.27Å; E546-T551 WeakPolarHBondContact CG-OG1 3.17Å; E546-T551 PolarHBondContact OE2-OG1 2.85Å; N547-T551 PolarHBondContact O-N 3.36Å; D549-T551 PolarHBondContact O-N 3.34Å; T551-V555 VanDerWaalsContact O-CG2 3.24Å; T551-V555 WeakPolarHBondContact O-CG2 3.33Å; T551-V555 PolarHBondContact O-N 3.49Å; T551-P646 HydrophobicContact CG2-CG 4.04Å
552A78.9Confident69.8Low44 Ų4459.4 Ų59.436%0.36432%0.315SS..Hα-helixtrans-65.7-41.1174.600000112.4D548 D549 I550 F554 V555 V556D548-A552 WeakPolarHBondContact O-CB 3.34Å; D548-A552 PolarHBondContact O-N 3.14Å; D549-A552 CarbonylContact O-C 3.58Å; D549-A552 WeakPolarHBondContact O-CB 3.39Å; D549-A552 PolarHBondContact O-N 3.5Å; D549-A552 VanDerWaalsContact O-N 3.16Å; I550-A552 VanDerWaalsContact C-N 3.28Å; I550-A552 PolarHBondContact O-N 3.38Å; A552-F554 VanDerWaalsContact C-N 3.34Å; A552-F554 PolarHBondContact O-N 2.83Å; A552-V555 WeakPolarHBondContact O-CB 3.36Å; A552-V555 PolarHBondContact O-N 3.28Å; A552-V555 VanDerWaalsContact O-N 3.13Å; A552-V556 WeakPolarHBondContact O-CG2 3.4Å; A552-V556 PolarHBondContact O-N 2.89Å
553D83.2Confident72.3Confident110 Ų11055.2 Ų55.259%0.58830%0.296SS*.Hα-helixtrans-61.5-43.1177.2-76.2-17.5000110.9D549 I550 V555 V556 S557D549-D553 WeakPolarHBondContact O-CB 3.36Å; D549-D553 VanDerWaalsContact O-CG 3.3Å; D549-D553 PolarHBondContact O-N 3.29Å; I550-D553 PolarHBondContact O-N 2.87Å; D553-V555 PolarHBondContact O-N 3.44Å; D553-V556 PolarHBondContact O-N 2.98Å; D553-S557 WeakPolarHBondContact O-CB 3.37Å; D553-S557 PolarHBondContact O-N 3.26Å
554F86.1Confident74.5Confident45 Ų4550.6 Ų50.620%0.19728%0.284CS..Hα-helixtrans-64.2-38.1173.2-77.5-53.9000112.9F213 I220 I550 A552 G558F213-F554 HydrophobicContact CD2-CB 3.67Å; F213-F554 HydrophobicContact CD2-CD2 4.46Å; F213-F554 HydrophobicContact CD2-CG 4.43Å; F213-F554 HydrophobicContact CE2-CB 4.06Å; F213-F554 AromaticContact CE2-CD2 3.98Å; F213-F554 HydrophobicContact CE2-CD2 3.98Å; F213-F554 HydrophobicContact CE2-CG 4.36Å; I220-F554 HydrophobicContact CD1-CE1 3.55Å; I220-F554 HydrophobicContact CD1-CZ 3.87Å; I220-F554 HydrophobicContact CG1-CE1 4.42Å; I550-F554 HydrophobicContact CG2-CD2 3.72Å; I550-F554 HydrophobicContact CG2-CE2 3.43Å; I550-F554 VanDerWaalsContact CG2-CE2 3.43Å; I550-F554 HydrophobicContact CG2-CZ 4.46Å; I550-F554 VanDerWaalsContact O-CD2 3.23Å; I550-F554 WeakPolarHBondContact O-CD2 3.09Å; I550-F554 PolarHBondContact O-N 2.93Å; A552-F554 VanDerWaalsContact C-N 3.34Å; A552-F554 PolarHBondContact O-N 2.83Å; F554-G558 PolarHBondContact O-N 2.92Å
555V88.8Confident77.1Confident26 Ų2650.5 Ų50.516%0.15829%0.285CS..Hα-helixtrans-64.9-43.6174.61720000111Y212 F213 T551 A552 D553 K559Y212-V555 HydrophobicContact CD2-CG1 4.49Å; F213-V555 HydrophobicContact CB-CG2 3.72Å; T551-V555 VanDerWaalsContact O-CG2 3.24Å; T551-V555 WeakPolarHBondContact O-CG2 3.33Å; T551-V555 PolarHBondContact O-N 3.49Å; A552-V555 WeakPolarHBondContact O-CB 3.36Å; A552-V555 PolarHBondContact O-N 3.28Å; A552-V555 VanDerWaalsContact O-N 3.13Å; D553-V555 PolarHBondContact O-N 3.44Å; V555-K559 WeakPolarHBondContact O-CB 3.45Å; V555-K559 PolarHBondContact O-N 3.33Å
556V91.4Very high79.6Confident52 Ų5249.5 Ų49.532%0.31528%0.277SS..Hα-helixtrans-65.7-47.8178.6171.90000110.6A552 D553 K559 A560 I629A552-V556 WeakPolarHBondContact O-CG2 3.4Å; A552-V556 PolarHBondContact O-N 2.89Å; D553-V556 PolarHBondContact O-N 2.98Å; V556-K559 PolarHBondContact O-N 3.28Å; V556-A560 PolarHBondContact O-N 3.42Å; V556-I629 HydrophobicContact CG1-CG2 4.05Å
557S90.7Very high81.9Confident54 Ų5451.5 Ų51.538%0.37829%0.288SS..Hα-helixtrans-58.4-49.8175.91790000111.3D553 K559 A560 L561D553-S557 WeakPolarHBondContact O-CB 3.37Å; D553-S557 PolarHBondContact O-N 3.26Å; S557-K559 VanDerWaalsContact C-N 3.32Å; S557-K559 PolarHBondContact O-N 2.75Å; S557-A560 WeakPolarHBondContact O-CB 3.48Å; S557-A560 PolarHBondContact O-N 2.96Å; S557-A560 VanDerWaalsContact O-N 3.12Å; S557-L561 VanDerWaalsContact O-CG 3.32Å; S557-L561 WeakPolarHBondContact O-CG 3.33Å; S557-L561 PolarHBondContact O-N 3.48Å
558G92.9Very high84.2Confident0 Ų053.3 Ų53.30%030%0.295CS..Hα-helixtrans-59.5-40177.300000113.2Y212 F554 L561 V562Y212-G558 WeakPolarHBondContact O-CA 3.21Å; F554-G558 PolarHBondContact O-N 2.92Å; G558-L561 PolarHBondContact O-N 3.09Å; G558-V562 WeakPolarHBondContact O-CG2 3.49Å; G558-V562 PolarHBondContact O-N 2.54Å
559K93.9Very high85.8Confident43 Ų4349.1 Ų49.119%0.18728%0.275CS..Hα-helixtrans-64.8-42.4174.7-175.3-179.1-179.4-177.30111.9Y212 V555 V556 S557 L561 V562 L563 S632Y212-K559 HydrophobicContact CD1-CB 4.23Å; Y212-K559 HydrophobicContact CD2-CB 4.14Å; Y212-K559 HydrophobicContact CE1-CB 4.34Å; Y212-K559 HydrophobicContact CE1-CG 4.4Å; Y212-K559 HydrophobicContact CE2-CB 4.25Å; Y212-K559 HydrophobicContact CE2-CD 4.42Å; Y212-K559 HydrophobicContact CE2-CG 4.14Å; Y212-K559 HydrophobicContact CG-CB 4.13Å; V555-K559 WeakPolarHBondContact O-CB 3.45Å; V555-K559 PolarHBondContact O-N 3.33Å; V556-K559 PolarHBondContact O-N 3.28Å; S557-K559 VanDerWaalsContact C-N 3.32Å; S557-K559 PolarHBondContact O-N 2.75Å; K559-L561 VanDerWaalsContact C-N 3.32Å; K559-L561 PolarHBondContact O-N 3.14Å; K559-V562 PolarHBondContact O-N 3.22Å; K559-L563 PolarHBondContact O-N 3.15Å; K559-S632 PolarHBondContact NZ-OG 3.15Å
560A95Very high87.5Confident26 Ų2646.8 Ų46.822%0.21526%0.261CS..Hα-helixtrans-61.8-41.1176.500000111.6V556 S557 L563 A564 V625 I629V556-A560 PolarHBondContact O-N 3.42Å; S557-A560 WeakPolarHBondContact O-CB 3.48Å; S557-A560 PolarHBondContact O-N 2.96Å; S557-A560 VanDerWaalsContact O-N 3.12Å; A560-L563 PolarHBondContact O-N 3.31Å; A560-A564 WeakPolarHBondContact O-CB 3.37Å; A560-A564 PolarHBondContact O-N 3.41Å; A560-V625 HydrophobicContact CB-CG1 4.33Å; A560-I629 HydrophobicContact CB-CD1 4.09Å
561L94.3Very high89.1Confident46 Ų4649.3 Ų49.324%0.24127%0.266CS..Hα-helixtrans-62.4-45.3176-69.6162.5000112W310 S557 G558 K559 L563 A564 E565W310-L561 HydrophobicContact CH2-CB 4.14Å; W310-L561 HydrophobicContact CH2-CD1 3.81Å; W310-L561 HydrophobicContact CH2-CD2 4.06Å; W310-L561 HydrophobicContact CH2-CG 4.21Å; W310-L561 HydrophobicContact CZ3-CD1 4.33Å; S557-L561 VanDerWaalsContact O-CG 3.32Å; S557-L561 WeakPolarHBondContact O-CG 3.33Å; S557-L561 PolarHBondContact O-N 3.48Å; G558-L561 PolarHBondContact O-N 3.09Å; K559-L561 VanDerWaalsContact C-N 3.32Å; K559-L561 PolarHBondContact O-N 3.14Å; L561-L563 PolarHBondContact O-N 3.06Å; L561-A564 PolarHBondContact O-N 3.02Å; L561-E565 WeakPolarHBondContact O-CB 3.31Å; L561-E565 PolarHBondContact O-N 3.4Å
562V93.4Very high89.8Confident0 Ų053.5 Ų53.50%029%0.286CS..Hα-helixtrans-62.4-43.4176.6174.50000111.3Y212 L215 M314 A317 L318 G558 K559 A564 E565 R566Y212-V562 HydrophobicContact CD1-CB 4.45Å; Y212-V562 HydrophobicContact CD1-CG2 3.85Å; Y212-V562 HydrophobicContact CE1-CB 3.98Å; Y212-V562 HydrophobicContact CE1-CG1 4.19Å; Y212-V562 HydrophobicContact CE1-CG2 3.78Å; L215-V562 HydrophobicContact CD1-CG2 3.32Å; M314-V562 HydrophobicContact CE-CG2 4.22Å; M314-V562 HydrophobicContact SD-CB 4.2Å; M314-V562 HydrophobicContact SD-CG1 4.34Å; M314-V562 HydrophobicContact SD-CG2 3.72Å; A317-V562 HydrophobicContact CB-CG2 4.05Å; L318-V562 HydrophobicContact CD2-CG1 3.64Å; L318-V562 HydrophobicContact CG-CG1 4.24Å; G558-V562 WeakPolarHBondContact O-CG2 3.49Å; G558-V562 PolarHBondContact O-N 2.54Å; K559-V562 PolarHBondContact O-N 3.22Å; V562-A564 VanDerWaalsContact C-N 3.35Å; V562-A564 PolarHBondContact O-N 3.35Å; V562-E565 PolarHBondContact O-N 3.45Å; V562-R566 VanDerWaalsContact O-CB 3.27Å; V562-R566 WeakPolarHBondContact O-CB 3.49Å; V562-R566 PolarHBondContact O-N 3.17Å
563L93.9Very high90.2Very high48 Ų4854 Ų5425%0.25128%0.282SS..Hα-helixtrans-62.8-42.1177.4-178.165000111.7K559 A560 L561 R566 N567K559-L563 PolarHBondContact O-N 3.15Å; A560-L563 PolarHBondContact O-N 3.31Å; L561-L563 PolarHBondContact O-N 3.06Å; L563-R566 PolarHBondContact O-N 3.1Å; L563-N567 WeakPolarHBondContact O-CB 3.47Å; L563-N567 PolarHBondContact O-N 3.36Å; L563-N567 PolarHBondContact O-ND2 3.32Å; L563-N567 VanDerWaalsContact O-ND2 3.15Å
564A92.6Very high90.4Very high54 Ų5453.2 Ų53.245%0.44628%0.278SS..Hα-helixtrans-62-48.617700000111.5A560 L561 V562 R566 N567 Q568A560-A564 WeakPolarHBondContact O-CB 3.37Å; A560-A564 PolarHBondContact O-N 3.41Å; L561-A564 PolarHBondContact O-N 3.02Å; V562-A564 VanDerWaalsContact C-N 3.35Å; V562-A564 PolarHBondContact O-N 3.35Å; A564-R566 PolarHBondContact O-N 2.96Å; A564-N567 PolarHBondContact O-N 2.86Å; A564-Q568 PolarHBondContact O-N 3.25Å
565E89.8Confident90.6Very high68 Ų6857.4 Ų57.432%0.31829%0.292SS..Hα-helixtrans-61-44.6178.1-167.169-158.500111.3M314 L561 V562 N567 Q568 A569M314-E565 HydrophobicContact CE-CB 3.91Å; M314-E565 HydrophobicContact CE-CG 4.16Å; M314-E565 HydrophobicContact CG-CG 3.99Å; M314-E565 HydrophobicContact SD-CB 3.94Å; M314-E565 HydrophobicContact SD-CG 4.06Å; L561-E565 WeakPolarHBondContact O-CB 3.31Å; L561-E565 PolarHBondContact O-N 3.4Å; V562-E565 PolarHBondContact O-N 3.45Å; E565-N567 VanDerWaalsContact C-N 3.35Å; E565-N567 PolarHBondContact O-N 3.07Å; E565-Q568 PolarHBondContact O-N 3.13Å; E565-A569 WeakPolarHBondContact O-CB 3.35Å; E565-A569 PolarHBondContact O-N 2.96Å
566R89.8Confident90.4Very high54 Ų5461.5 Ų61.520%0.20431%0.31CS..Hα-helixtrans-59.6-45.2177.2-171.2174.3-169.3145.110.6111.9L318 E321 D322 S337 V562 L563 A564 Q568 A569 Q570L318-R566 HydrophobicContact CD2-CB 3.93Å; L318-R566 HydrophobicContact CD2-CG 4.19Å; E321-R566 IonicContact OE2-CZ 3.99Å; E321-R566 IonicContact OE2-NH1 3.16Å; E321-R566 PolarHBondContact OE2-NH1 3.45Å; D322-R566 IonicContact OD1-CZ 3.88Å; D322-R566 IonicContact OD1-NH1 3.18Å; D322-R566 PolarHBondContact OD1-NH1 2.84Å; D322-R566 VanDerWaalsContact OD1-NH1 3.16Å; D322-R566 IonicContact OD1-NH2 3.25Å; D322-R566 PolarHBondContact OD1-NH2 2.92Å; S337-R566 PolarHBondContact OG-NH2 3.38Å; V562-R566 VanDerWaalsContact O-CB 3.27Å; V562-R566 WeakPolarHBondContact O-CB 3.49Å; V562-R566 PolarHBondContact O-N 3.17Å; L563-R566 PolarHBondContact O-N 3.1Å; A564-R566 PolarHBondContact O-N 2.96Å; R566-Q568 VanDerWaalsContact C-N 3.32Å; R566-Q568 PolarHBondContact O-N 3.48Å; R566-A569 PolarHBondContact O-N 2.96Å; R566-Q570 WeakPolarHBondContact O-CB 3.45Å; R566-Q570 PolarHBondContact O-N 3.25Å
567N91.7Very high90.2Very high66 Ų6662.5 Ų62.535%0.35332%0.319SS..Hα-helixtrans-64.3-38.5177.4-72.8-26.9000111.6L563 A564 E565 R571L563-N567 WeakPolarHBondContact O-CB 3.47Å; L563-N567 PolarHBondContact O-N 3.36Å; L563-N567 PolarHBondContact O-ND2 3.32Å; L563-N567 VanDerWaalsContact O-ND2 3.15Å; A564-N567 PolarHBondContact O-N 2.86Å; E565-N567 VanDerWaalsContact C-N 3.35Å; E565-N567 PolarHBondContact O-N 3.07Å; N567-R571 WeakPolarHBondContact O-CD 3.49Å; N567-R571 WeakPolarHBondContact O-CG 3.23Å; N567-R571 PolarHBondContact O-N 3.35Å; N567-R571 VanDerWaalsContact O-N 3.1Å
568Q89.6Confident90.1Very high97 Ų9766.6 Ų66.645%0.45333%0.326SS..Hα-helixtrans-64.8-51.5175.5-178.1176.3-22.300111.3A564 E565 R566 Q570 R571 E572A564-Q568 PolarHBondContact O-N 3.25Å; E565-Q568 PolarHBondContact O-N 3.13Å; R566-Q568 VanDerWaalsContact C-N 3.32Å; R566-Q568 PolarHBondContact O-N 3.48Å; Q568-Q570 VanDerWaalsContact C-N 3.31Å; Q568-Q570 PolarHBondContact O-N 2.68Å; Q568-R571 WeakPolarHBondContact O-CB 3.23Å; Q568-R571 PolarHBondContact O-N 2.9Å; Q568-E572 PolarHBondContact NE2-OE1 3.05Å; Q568-E572 VanDerWaalsContact NE2-OE1 3.13Å; Q568-E572 PolarHBondContact O-N 3.06Å
569A87.7Confident89.9Confident21 Ų2170.3 Ų70.317%0.17435%0.346CS..Hα-helixtrans-59.9-40.9179.100000112V339 E565 R566 R571 E572 L573V339-A569 HydrophobicContact CB-CB 4.46Å; V339-A569 HydrophobicContact CG1-CB 3.6Å; V339-A569 HydrophobicContact CG2-CB 4.05Å; E565-A569 WeakPolarHBondContact O-CB 3.35Å; E565-A569 PolarHBondContact O-N 2.96Å; R566-A569 PolarHBondContact O-N 2.96Å; A569-R571 VanDerWaalsContact C-N 3.32Å; A569-R571 PolarHBondContact O-N 3.2Å; A569-E572 PolarHBondContact O-N 3.36Å; A569-L573 WeakPolarHBondContact O-CG 3.21Å; A569-L573 PolarHBondContact O-N 3.46Å
570Q87.9Confident89.5Confident67 Ų6774.3 Ų74.331%0.31337%0.366SS..Hα-helixtrans-63.9-36.8175.9-169.26442.700112.2R566 Q568 N574R566-Q570 WeakPolarHBondContact O-CB 3.45Å; R566-Q570 PolarHBondContact O-N 3.25Å; Q568-Q570 VanDerWaalsContact C-N 3.31Å; Q568-Q570 PolarHBondContact O-N 2.68Å; Q570-N574 PolarHBondContact NE2-OD1 3.13Å; Q570-N574 VanDerWaalsContact NE2-OD1 3.15Å; Q570-N574 WeakPolarHBondContact O-CB 3.36Å; Q570-N574 PolarHBondContact O-N 2.84Å; Q570-N574 PolarHBondContact O-ND2 2.95Å; Q570-N574 PolarHBondContact O-OD1 2.71Å
571R88.2Confident89.3Confident110 Ų11078.4 Ų78.442%0.41538%0.379SS..Hα-helixtrans-65.4-41.1175.2-72.5163.5-174.9-179.22.2111.3N567 Q568 A569 N574 R575 Q621N567-R571 WeakPolarHBondContact O-CD 3.49Å; N567-R571 WeakPolarHBondContact O-CG 3.23Å; N567-R571 PolarHBondContact O-N 3.35Å; N567-R571 VanDerWaalsContact O-N 3.1Å; Q568-R571 WeakPolarHBondContact O-CB 3.23Å; Q568-R571 PolarHBondContact O-N 2.9Å; A569-R571 VanDerWaalsContact C-N 3.32Å; A569-R571 PolarHBondContact O-N 3.2Å; R571-N574 PolarHBondContact O-N 3.23Å; R571-R575 WeakPolarHBondContact O-CB 3.4Å; R571-R575 VanDerWaalsContact O-CG 3.23Å; R571-R575 WeakPolarHBondContact O-CG 3.41Å; R571-R575 PolarHBondContact O-N 3.3Å; R571-Q621 VanDerWaalsContact NH2-CD 3.3Å
572E87.2Confident88.9Confident92 Ų9282.5 Ų82.543%0.4339%0.391SS..Hα-helixtrans-64.1-47.7177.3-70.9172.3-169.300111.1Q568 A569 N574 R575 E576Q568-E572 PolarHBondContact NE2-OE1 3.05Å; Q568-E572 VanDerWaalsContact NE2-OE1 3.13Å; Q568-E572 PolarHBondContact O-N 3.06Å; A569-E572 PolarHBondContact O-N 3.36Å; E572-N574 VanDerWaalsContact C-N 3.35Å; E572-N574 PolarHBondContact O-N 3.09Å; E572-R575 WeakPolarHBondContact O-CB 3.49Å; E572-R575 PolarHBondContact O-N 3.03Å; E572-R575 VanDerWaalsContact O-N 3.1Å; E572-E576 WeakPolarHBondContact O-CG 3.4Å; E572-E576 PolarHBondContact O-N 3.27Å
573L86.3Confident88.5Confident56 Ų5691.3 Ų91.329%0.29342%0.424SS..Hα-helixtrans-59.8-42.4174.8-69.8174.4000112.7S338 V339 A569 R575 E576 S577S338-L573 WeakPolarHBondContact OG-CD1 3.24Å; V339-L573 HydrophobicContact CG2-CD1 3.99Å; A569-L573 WeakPolarHBondContact O-CG 3.21Å; A569-L573 PolarHBondContact O-N 3.46Å; L573-R575 VanDerWaalsContact C-N 3.3Å; L573-R575 PolarHBondContact O-N 2.95Å; L573-E576 PolarHBondContact O-N 3.38Å; L573-S577 WeakPolarHBondContact O-CB 3.23Å; L573-S577 PolarHBondContact O-N 3.23Å
574N88.4Confident88Confident92 Ų9291.7 Ų91.749%0.49243%0.431SS..Hα-helixtrans-65.8-34.3176.9-71.5-9.4000111.9Q570 R571 E572 R578Q570-N574 PolarHBondContact NE2-OD1 3.13Å; Q570-N574 VanDerWaalsContact NE2-OD1 3.15Å; Q570-N574 WeakPolarHBondContact O-CB 3.36Å; Q570-N574 PolarHBondContact O-N 2.84Å; Q570-N574 PolarHBondContact O-ND2 2.95Å; Q570-N574 PolarHBondContact O-OD1 2.71Å; R571-N574 PolarHBondContact O-N 3.23Å; E572-N574 VanDerWaalsContact C-N 3.35Å; E572-N574 PolarHBondContact O-N 3.09Å; N574-R578 VanDerWaalsContact O-CB 3.26Å; N574-R578 WeakPolarHBondContact O-CB 3.28Å; N574-R578 PolarHBondContact O-N 3.34Å
575R88.4Confident87.7Confident134 Ų13493.1 Ų93.151%0.50643%0.427SS..Hα-helixtrans-66.4-47.5173.6-74.6168.7-180-171.6-0.3110.6R571 E572 L573 S577 R578 D579R571-R575 WeakPolarHBondContact O-CB 3.4Å; R571-R575 VanDerWaalsContact O-CG 3.23Å; R571-R575 WeakPolarHBondContact O-CG 3.41Å; R571-R575 PolarHBondContact O-N 3.3Å; E572-R575 WeakPolarHBondContact O-CB 3.49Å; E572-R575 PolarHBondContact O-N 3.03Å; E572-R575 VanDerWaalsContact O-N 3.1Å; L573-R575 VanDerWaalsContact C-N 3.3Å; L573-R575 PolarHBondContact O-N 2.95Å; R575-S577 PolarHBondContact O-N 3.45Å; R575-R578 PolarHBondContact O-N 2.91Å; R575-D579 WeakPolarHBondContact O-CB 3.4Å; R575-D579 PolarHBondContact O-N 3.1Å
576E85.6Confident87.4Confident112 Ų11294.4 Ų94.452%0.52344%0.436SS..Hα-helixtrans-61.1-44.9177.8-70.7-177171.300112.3E572 L573 R578 D579 Q580E572-E576 WeakPolarHBondContact O-CG 3.4Å; E572-E576 PolarHBondContact O-N 3.27Å; L573-E576 PolarHBondContact O-N 3.38Å; E576-R578 VanDerWaalsContact C-N 3.33Å; E576-R578 PolarHBondContact O-N 3.41Å; E576-D579 PolarHBondContact O-N 3.45Å; E576-Q580 WeakPolarHBondContact O-CB 3.3Å; E576-Q580 VanDerWaalsContact O-CG 3.3Å; E576-Q580 WeakPolarHBondContact O-CG 3.19Å; E576-Q580 PolarHBondContact O-N 3.39Å
577S86.5Confident87Confident73 Ų7394.5 Ų94.551%0.5145%0.448SS..Hα-helixtrans-60.4-43.2175.9176.80000111.7L573 R575 Q580 F581L573-S577 WeakPolarHBondContact O-CB 3.23Å; L573-S577 PolarHBondContact O-N 3.23Å; R575-S577 PolarHBondContact O-N 3.45Å; S577-Q580 PolarHBondContact O-N 2.9Å; S577-F581 WeakPolarHBondContact O-CB 3.45Å; S577-F581 PolarHBondContact O-N 2.74Å
578R88.3Confident86.5Confident139 Ų13996.6 Ų96.653%0.52546%0.459SS..Hα-helixtrans-64.5-42.1176.1-175.4178.267.2-1671.1111.7N574 R575 E576 F581 W582N574-R578 VanDerWaalsContact O-CB 3.26Å; N574-R578 WeakPolarHBondContact O-CB 3.28Å; N574-R578 PolarHBondContact O-N 3.34Å; R575-R578 PolarHBondContact O-N 2.91Å; E576-R578 VanDerWaalsContact C-N 3.33Å; E576-R578 PolarHBondContact O-N 3.41Å; R578-F581 PolarHBondContact O-N 2.9Å; R578-W582 PolarHBondContact O-N 3.39Å
579D88.8Confident85.9Confident78 Ų78100.4 Ų100.442%0.41747%0.47SS..Hα-helixtrans-67-38.8178.7-69.7-6.2000111.2R575 E576 W582 R583R575-D579 WeakPolarHBondContact O-CB 3.4Å; R575-D579 PolarHBondContact O-N 3.1Å; E576-D579 PolarHBondContact O-N 3.45Å; D579-W582 PolarHBondContact O-N 3.16Å; D579-R583 WeakPolarHBondContact O-CB 3.47Å; D579-R583 WeakPolarHBondContact O-CG 3.36Å; D579-R583 PolarHBondContact O-N 3.3Å
580Q86.5Confident84.9Confident128 Ų128107.9 Ų107.960%0.59850%0.495SS*.Hα-helixtrans-63.1-44.4172.3-73.2176.11100111.8E576 S577 W582 R583 S584E576-Q580 WeakPolarHBondContact O-CB 3.3Å; E576-Q580 VanDerWaalsContact O-CG 3.3Å; E576-Q580 WeakPolarHBondContact O-CG 3.19Å; E576-Q580 PolarHBondContact O-N 3.39Å; S577-Q580 PolarHBondContact O-N 2.9Å; Q580-W582 PolarHBondContact O-N 3.11Å; Q580-R583 PolarHBondContact O-N 3.21Å; Q580-S584 PolarHBondContact O-N 3.36Å; Q580-S584 PolarHBondContact O-OG 3.15Å
581F90.1Very high83.8Confident111 Ų111108 Ų10849%0.48750%0.502SS..Hα-helixtrans-60.7-41.8175.7174.5-95.9000112.4S577 R578 S584 K585S577-F581 WeakPolarHBondContact O-CB 3.45Å; S577-F581 PolarHBondContact O-N 2.74Å; R578-F581 PolarHBondContact O-N 2.9Å; F581-S584 PolarHBondContact O-OG 3.41Å; F581-K585 HydrophobicContact CE1-CD 4.29Å; F581-K585 HydrophobicContact CZ-CD 4.43Å; F581-K585 WeakPolarHBondContact O-CB 3.4Å; F581-K585 PolarHBondContact O-N 3.02Å; F581-K585 VanDerWaalsContact O-N 3.08Å
582W86.8Confident82.4Confident132 Ų132104.1 Ų104.150%0.550%0.497SS..Hα-helixtrans-71.3-35.2175.5-76.6112.9000112.6R578 D579 Q580 K585 L586R578-W582 PolarHBondContact O-N 3.39Å; D579-W582 PolarHBondContact O-N 3.16Å; Q580-W582 PolarHBondContact O-N 3.11Å; W582-K585 HydrophobicContact CE3-CD 4.25Å; W582-K585 HydrophobicContact CZ3-CD 4.08Å; W582-K585 PolarHBondContact O-N 3.33Å; W582-L586 WeakPolarHBondContact O-CB 3.45Å; W582-L586 VanDerWaalsContact O-CG 3.28Å; W582-L586 WeakPolarHBondContact O-CG 3.21Å; W582-L586 PolarHBondContact O-N 3.14Å
583R84Confident80.9Confident185 Ų185102.5 Ų102.570%0.69850%0.496SS*.Hα-helixtrans-62-45.7173.8-78.5173.7-178.4176.93.5111.8D579 Q580 L586 A587D579-R583 WeakPolarHBondContact O-CB 3.47Å; D579-R583 WeakPolarHBondContact O-CG 3.36Å; D579-R583 PolarHBondContact O-N 3.3Å; Q580-R583 PolarHBondContact O-N 3.21Å; R583-L586 PolarHBondContact O-N 3.17Å; R583-A587 WeakPolarHBondContact O-CB 3.42Å; R583-A587 PolarHBondContact O-N 2.88Å
584S84.8Confident79.2Confident57 Ų57108.5 Ų108.540%0.39952%0.52SS..Hα-helixtrans-64.5-45.4176.962.60000111.3Q580 F581 L586 A587 D588Q580-S584 PolarHBondContact O-N 3.36Å; Q580-S584 PolarHBondContact O-OG 3.15Å; F581-S584 PolarHBondContact O-OG 3.41Å; S584-L586 VanDerWaalsContact C-N 3.32Å; S584-L586 PolarHBondContact O-N 3.14Å; S584-A587 WeakPolarHBondContact O-CB 3.48Å; S584-A587 PolarHBondContact O-N 2.89Å; S584-A587 VanDerWaalsContact O-N 3.11Å; S584-D588 VanDerWaalsContact O-CG 3.31Å; S584-D588 PolarHBondContact O-N 3.44Å
585K85.2Confident77.3Confident83 Ų83112.5 Ų112.536%0.36154%0.535SS..Hα-helixtrans-63.3-35.3179.2-168.2172.5-175174.70113.5F581 W582 R589F581-K585 HydrophobicContact CE1-CD 4.29Å; F581-K585 HydrophobicContact CZ-CD 4.43Å; F581-K585 WeakPolarHBondContact O-CB 3.4Å; F581-K585 PolarHBondContact O-N 3.02Å; F581-K585 VanDerWaalsContact O-N 3.08Å; W582-K585 HydrophobicContact CE3-CD 4.25Å; W582-K585 HydrophobicContact CZ3-CD 4.08Å; W582-K585 PolarHBondContact O-N 3.33Å; K585-R589 PolarHBondContact O-N 3.43Å
586L83.9Confident75.5Confident96 Ų96113.5 Ų113.550%0.50355%0.546SS..Hα-helixtrans-70.7-41.3172.9-75168.3000111.2W582 R583 S584 D588 R589 Y590W582-L586 WeakPolarHBondContact O-CB 3.45Å; W582-L586 VanDerWaalsContact O-CG 3.28Å; W582-L586 WeakPolarHBondContact O-CG 3.21Å; W582-L586 PolarHBondContact O-N 3.14Å; R583-L586 PolarHBondContact O-N 3.17Å; S584-L586 VanDerWaalsContact C-N 3.32Å; S584-L586 PolarHBondContact O-N 3.14Å; L586-D588 PolarHBondContact O-N 2.99Å; L586-R589 PolarHBondContact O-N 3.11Å; L586-Y590 WeakPolarHBondContact O-CD2 3.29Å; L586-Y590 PolarHBondContact O-N 3.44Å; L586-Y590 VanDerWaalsContact O-N 3.1Å
587A80.3Confident73.6Confident56 Ų56112.4 Ų112.446%0.46355%0.551SS.*Hα-helixtrans-60.3-43.6175.300000111.9R583 S584 R589 Y590 S591R583-A587 WeakPolarHBondContact O-CB 3.42Å; R583-A587 PolarHBondContact O-N 2.88Å; S584-A587 WeakPolarHBondContact O-CB 3.48Å; S584-A587 PolarHBondContact O-N 2.89Å; S584-A587 VanDerWaalsContact O-N 3.11Å; A587-R589 VanDerWaalsContact C-N 3.31Å; A587-R589 PolarHBondContact O-N 3.23Å; A587-Y590 PolarHBondContact O-N 3.19Å; A587-Y590 VanDerWaalsContact O-N 3.13Å; A587-S591 PolarHBondContact O-N 2.91Å; A587-S591 PolarHBondContact O-OG 3.01Å
588D82.1Confident71.7Confident109 Ų109117.2 Ų117.258%0.58357%0.571SS**Hα-helixtrans-61.3-38.1177.6-68.6-20.5000112.2S584 L586 S591 G592S584-D588 VanDerWaalsContact O-CG 3.31Å; S584-D588 PolarHBondContact O-N 3.44Å; L586-D588 PolarHBondContact O-N 2.99Å; D588-S591 WeakPolarHBondContact CA-OG 3.39Å; D588-S591 PolarHBondContact O-N 3.28Å; D588-S591 PolarHBondContact O-OG 3.41Å; D588-G592 PolarHBondContact O-N 2.94Å
589R76.1Confident69.5Low178 Ų178113.6 Ų113.667%0.67257%0.571SS**Hα-helixtrans-66.1-40.5174.1-78.6-173.2-176.8-161.9-1.1112.3K585 L586 A587 S593K585-R589 PolarHBondContact O-N 3.43Å; L586-R589 PolarHBondContact O-N 3.11Å; A587-R589 VanDerWaalsContact C-N 3.31Å; A587-R589 PolarHBondContact O-N 3.23Å; R589-S593 WeakPolarHBondContact O-CB 3.49Å; R589-S593 PolarHBondContact O-N 2.95Å; R589-S593 PolarHBondContact O-OG 2.94Å
590Y67.3Low67.2Low178 Ų178117.6 Ų117.670%0.69859%0.592SS**Hα-helixtrans-70.8-32.3177.5-88.1-77.1000112.8L586 A587 S593 K594L586-Y590 WeakPolarHBondContact O-CD2 3.29Å; L586-Y590 PolarHBondContact O-N 3.44Å; L586-Y590 VanDerWaalsContact O-N 3.1Å; A587-Y590 PolarHBondContact O-N 3.19Å; A587-Y590 VanDerWaalsContact O-N 3.13Å; Y590-S593 PolarHBondContact O-OG 3.44Å; Y590-S593 VanDerWaalsContact O-OG 3.14Å; Y590-K594 PolarHBondContact O-N 3.4Å
591S65.7Low64.8Low68 Ų68123.1 Ų123.148%0.47661%0.607SS.*Hα-helixtrans-74.8-40.3172.355.30000112.2A587 D588 K594 Q595A587-S591 PolarHBondContact O-N 2.91Å; A587-S591 PolarHBondContact O-OG 3.01Å; D588-S591 WeakPolarHBondContact CA-OG 3.39Å; D588-S591 PolarHBondContact O-N 3.28Å; D588-S591 PolarHBondContact O-OG 3.41Å; S591-K594 PolarHBondContact O-N 3.18Å; S591-K594 VanDerWaalsContact O-N 3.17Å; S591-Q595 PolarHBondContact O-N 3.13Å
592G58.9Low62.2Low30 Ų30126.7 Ų126.731%0.30963%0.626SS.*Hα-helixtrans-62.8-41.1174.900000112.1D588 K594 Q595 E596D588-G592 PolarHBondContact O-N 2.94Å; G592-K594 PolarHBondContact O-N 3.48Å; G592-Q595 PolarHBondContact O-N 3.27Å; G592-E596 PolarHBondContact O-N 3.37Å
593S55.1Low59.9Low58 Ų58126.1 Ų126.141%0.40664%0.642SS.*Hα-helixtrans-66-25.5175.576.40000112.8R589 Y590 Q595 S597R589-S593 WeakPolarHBondContact O-CB 3.49Å; R589-S593 PolarHBondContact O-N 2.95Å; R589-S593 PolarHBondContact O-OG 2.94Å; Y590-S593 PolarHBondContact O-OG 3.44Å; Y590-S593 VanDerWaalsContact O-OG 3.14Å; S593-Q595 VanDerWaalsContact C-N 3.28Å; S593-S597 WeakPolarHBondContact O-CA 3.27Å; S593-S597 WeakPolarHBondContact O-CB 3.37Å; S593-S597 PolarHBondContact O-N 3.28Å; S593-S597 PolarHBondContact O-OG 3.47Å
594K50.1Low57.5Low181 Ų181124.2 Ų124.279%0.78765%0.65SS**Hα-helixtrans-72.5-22.1172.5-103.3-176.1177.4-179.60113.2Y590 S591 G592Y590-K594 PolarHBondContact O-N 3.4Å; S591-K594 PolarHBondContact O-N 3.18Å; S591-K594 VanDerWaalsContact O-N 3.17Å; G592-K594 PolarHBondContact O-N 3.48Å
595Q49.4Very low55.2Low176 Ų176127 Ų12782%0.82267%0.667SS**Hα-helixtrans-88.3-26.5175.2-124.6168.9-20.600112.2S591 G592 S593S591-Q595 PolarHBondContact O-N 3.13Å; G592-Q595 PolarHBondContact O-N 3.27Å; S593-Q595 VanDerWaalsContact C-N 3.28Å
596E50.1Low52.7Low155 Ų155130 Ų13072%0.72469%0.687SS**Hα-helixtrans-102-13.1178.1-78.7178.6161.400115.2G592 N598 A599G592-E596 PolarHBondContact O-N 3.37Å; E596-N598 PolarHBondContact O-N 3.15Å; E596-A599 PolarHBondContact O-N 3.4Å
597S45.7Very low50.1Low90 Ų90134.9 Ų134.963%0.62971%0.707SS**THydrogen-bonded Turntrans-7520.3-179.7850000115.3S593 A599S593-S597 WeakPolarHBondContact O-CA 3.27Å; S593-S597 WeakPolarHBondContact O-CB 3.37Å; S593-S597 PolarHBondContact O-N 3.28Å; S593-S597 PolarHBondContact O-OG 3.47Å; S597-A599 VanDerWaalsContact C-N 3.32Å
598N46.3Very low47.8Very low173 Ų173136.2 Ų136.293%0.92571%0.713SS**THydrogen-bonded Turntrans-914.2154.2-110.910000112.6E596E596-N598 PolarHBondContact O-N 3.15Å
599A41.9Very low45.3Very low64 Ų64142.8 Ų142.853%0.52973%0.73SS.*SBendtrans-136.2115.8169.300000110.3E596 S597E596-A599 PolarHBondContact O-N 3.4Å; S597-A599 VanDerWaalsContact C-N 3.32Å
600D41.9Very low43Very low162 Ų162141.6 Ų141.687%0.86674%0.735SS**  trans65.9103.6149.9-54.4-28.4000120
601R35.7Very low41.3Very low243 Ų243142.4 Ų142.492%0.91774%0.743SS**  trans-64.2127.6157.2-69.3169.7167.9170.9-4109
602E35.2Very low39.5Very low187 Ų187150.5 Ų150.587%0.87476%0.764SS**  171.4149.2123.9-95.8172.5-17900113.7
603S37.4Very low38.4Very low119 Ų119157 Ų15783%0.83279%0.792SS**  trans88.1113.8165.978.30000119
604V33.5Very low37.5Very low146 Ų146160.7 Ų160.789%0.88581%0.807SS**PPolyproline II helixtrans-96.3124178174.10000108.6
605P36.5Very low36.9Very low115 Ų115163.5 Ų163.575%0.74781%0.813SS**PPolyproline II helixtrans-95133.1173.322.4-9.6000112.7
606D33.1Very low36.1Very low146 Ų146166.2 Ų166.278%0.78182%0.816SS**PPolyproline II helixtrans-58.2124.1179.9-169.8-4.8000112.9S608D606-S608 PolarHBondContact OD1-OG 3.15Å
607Q30.4Very low36Very low198 Ų198161.3 Ų161.393%0.92580%0.798SS**  trans-117.467.5-170.4-141.7-178.724.600110.1
608S30.9Very low35.6Very low84 Ų84162.9 Ų162.959%0.58780%0.799SS**  trans-137.451-173.658.90000113.4D606D606-S608 PolarHBondContact OD1-OG 3.15Å
609R29.8Very low35.3Very low248 Ų248161.2 Ų161.294%0.93679%0.789SS**  trans-15846.1176.8-114172.5-155.3-158.96.9116.9
610I29.1Very low35.4Very low153 Ų153163.2 Ų163.279%0.78579%0.791SS**  trans-147.595.1164.3-52.4175.4000108.1
611F29.7Very low35.5Very low195 Ų195158.2 Ų158.286%0.85576%0.762SS**  trans174.995.1155.1-87.2-61.1000107.4
612Y29.3Very low35.6Very low237 Ų237153.4 Ų153.493%0.92975%0.75SS**  trans-179.789.8154.6-90.3-63.6000108.3
613N34.9Very low35.9Very low168 Ų168150 Ų15090%0.89873%0.734SS**  trans-15920.9163-112.1-2000116.7
614D37.5Very low36.3Very low134 Ų134147.3 Ų147.372%0.71771%0.713SS**  trans-98.60.8-170.5-113.2-7.2000116.2
615R36.9Very low36.7Very low241 Ų241142.1 Ų142.191%0.90968%0.681SS**THydrogen-bonded Turntrans-87.1-10.9-171.3-136.4177.4-172.9-173.91.5115.8
616R33.2Very low36.7Very low232 Ų232145.3 Ų145.388%0.87568%0.679SS**THydrogen-bonded Turntrans-85.7-8.1178.9-105.3-179.9178.2176.7-1.3114.7I618R616-I618 PolarHBondContact O-N 3.43Å
617S46.1Very low37.1Very low52 Ų52146.3 Ų146.336%0.36467%0.671SS.*THydrogen-bonded Turntrans-77.2-17.1-168.7177.30000116.2Q621S617-Q621 PolarHBondContact O-NE2 3.45Å; S617-Q621 PolarHBondContact OG-NE2 3.23Å
618I38.4Very low37.7Very low124 Ų124141.5 Ų141.564%0.63665%0.652SS**THydrogen-bonded Turntrans-81.1-41.8-167.8-59.7175.5000112.7R616 Q621R616-I618 PolarHBondContact O-N 3.43Å; I618-Q621 VanDerWaalsContact O-CB 3.24Å; I618-Q621 WeakPolarHBondContact O-CB 3.26Å; I618-Q621 PolarHBondContact O-N 3.09Å
619L39Very low38.4Very low137 Ų137138.6 Ų138.672%0.71763%0.63SS**Hα-helixtrans-72.6-38.4-177.7-72.4168.4000112.5Q621 E622L619-Q621 PolarHBondContact O-N 3.09Å; L619-Q621 VanDerWaalsContact O-N 3.15Å; L619-E622 PolarHBondContact O-N 2.96Å
620D45Very low39Very low107 Ų107133.7 Ų133.757%0.57262%0.615SS**Hα-helixtrans-63.4-20.8174.1-68-19.6000112T624D620-T624 WeakPolarHBondContact O-CB 3.45Å; D620-T624 PolarHBondContact O-N 3.42Å; D620-T624 PolarHBondContact O-OG1 2.84Å
621Q42.9Very low39.7Very low56 Ų56130.3 Ų130.326%0.26260%0.599SS.*Hα-helixtrans-74.1-40.2-178.5-126.8157.484.700112.6R571 S617 I618 L619 E623 T624 V625R571-Q621 VanDerWaalsContact NH2-CD 3.3Å; S617-Q621 PolarHBondContact O-NE2 3.45Å; S617-Q621 PolarHBondContact OG-NE2 3.23Å; I618-Q621 VanDerWaalsContact O-CB 3.24Å; I618-Q621 WeakPolarHBondContact O-CB 3.26Å; I618-Q621 PolarHBondContact O-N 3.09Å; L619-Q621 PolarHBondContact O-N 3.09Å; L619-Q621 VanDerWaalsContact O-N 3.15Å; Q621-E623 VanDerWaalsContact C-N 3.33Å; Q621-E623 PolarHBondContact O-N 3.04Å; Q621-T624 WeakPolarHBondContact CA-OG1 3.31Å; Q621-T624 PolarHBondContact O-N 3.48Å; Q621-T624 PolarHBondContact O-OG1 2.88Å; Q621-V625 WeakPolarHBondContact O-CB 3.3Å; Q621-V625 WeakPolarHBondContact O-CG2 3.46Å; Q621-V625 PolarHBondContact O-N 3.42Å
622E37.6Very low40.4Very low142 Ų142122.6 Ų122.666%0.66457%0.569SS**Hα-helixtrans-65.1-38.3176.4-76.4-172.8162.500111.6L619 R626L619-E622 PolarHBondContact O-N 2.96Å; E622-R626 PolarHBondContact O-N 3.42Å; E622-R626 VanDerWaalsContact O-N 3.15Å
623E42.7Very low41Very low115 Ų115114.1 Ų114.154%0.53754%0.54SS..Hα-helixtrans-70.9-41.4176.3-75-166.9172.300112.9Q621 R626 R627Q621-E623 VanDerWaalsContact C-N 3.33Å; Q621-E623 PolarHBondContact O-N 3.04Å; E623-R626 PolarHBondContact O-N 2.93Å; E623-R627 PolarHBondContact O-N 3.47Å; E623-R627 IonicContact OE2-NH2 3.09Å
624T44.9Very low41.6Very low64 Ų64110 Ų11039%0.39352%0.518SS..Hα-helixtrans-69-36.3177.337.60000112.5D620 Q621 R627 N628D620-T624 WeakPolarHBondContact O-CB 3.45Å; D620-T624 PolarHBondContact O-N 3.42Å; D620-T624 PolarHBondContact O-OG1 2.84Å; Q621-T624 WeakPolarHBondContact CA-OG1 3.31Å; Q621-T624 PolarHBondContact O-N 3.48Å; Q621-T624 PolarHBondContact O-OG1 2.88Å; T624-R627 PolarHBondContact O-N 2.86Å; T624-N628 WeakPolarHBondContact O-CB 3.4Å; T624-N628 VanDerWaalsContact O-CG 3.28Å; T624-N628 PolarHBondContact O-N 3.33Å; T624-N628 PolarHBondContact O-ND2 3.26Å
625V42.5Very low41.8Very low36 Ų36111.2 Ų111.222%0.21851%0.512CS..Hα-helixtrans-60.7-46.4172.1170.40000110.2A560 Q621 R627 N628 I629A560-V625 HydrophobicContact CB-CG1 4.33Å; Q621-V625 WeakPolarHBondContact O-CB 3.3Å; Q621-V625 WeakPolarHBondContact O-CG2 3.46Å; Q621-V625 PolarHBondContact O-N 3.42Å; V625-R627 PolarHBondContact O-N 3.08Å; V625-N628 PolarHBondContact O-N 2.92Å; V625-I629 HydrophobicContact CG1-CD1 3.78Å; V625-I629 WeakPolarHBondContact O-CD1 3.2Å; V625-I629 WeakPolarHBondContact O-CG1 3.48Å; V625-I629 PolarHBondContact O-N 3.44Å
626R37Very low41.8Very low183 Ų183102 Ų10269%0.69148%0.478SS*.Hα-helixtrans-58.6-47.1174.8-79-172-170.3-170.34.2112.4E622 E623 I629 F630E622-R626 PolarHBondContact O-N 3.42Å; E622-R626 VanDerWaalsContact O-N 3.15Å; E623-R626 PolarHBondContact O-N 2.93Å; R626-I629 PolarHBondContact O-N 2.86Å; R626-F630 VanDerWaalsContact O-CD2 3.28Å; R626-F630 WeakPolarHBondContact O-CD2 3.34Å; R626-F630 PolarHBondContact O-N 2.91Å
627R41.9Very low42.3Very low167 Ų16797.5 Ų97.563%0.6346%0.461SS*.Hα-helixtrans-64-42.8-180-73.7-173.2-167.7141.712.5113E623 T624 V625 I629 F630 D631E623-R627 PolarHBondContact O-N 3.47Å; E623-R627 IonicContact OE2-NH2 3.09Å; T624-R627 PolarHBondContact O-N 2.86Å; V625-R627 PolarHBondContact O-N 3.08Å; R627-I629 VanDerWaalsContact C-N 3.27Å; R627-I629 PolarHBondContact O-N 2.94Å; R627-F630 PolarHBondContact O-N 3.47Å; R627-D631 PolarHBondContact O-N 3.34Å; R627-D631 VanDerWaalsContact O-N 3.13Å
628N42.8Very low42.2Very low97 Ų97103 Ų10352%0.51948%0.481SS..Hα-helixtrans-65.4-32.1178.3-72.6-17.2000112.1T624 V625 S632T624-N628 WeakPolarHBondContact O-CB 3.4Å; T624-N628 VanDerWaalsContact O-CG 3.28Å; T624-N628 PolarHBondContact O-N 3.33Å; T624-N628 PolarHBondContact O-ND2 3.26Å; V625-N628 PolarHBondContact O-N 2.92Å; N628-S632 WeakPolarHBondContact O-CB 3.4Å; N628-S632 PolarHBondContact O-N 3.47Å; N628-S632 PolarHBondContact O-OG 2.91Å
629I44.8Very low42.4Very low23 Ų23101.1 Ų101.112%0.11848%0.478CS..Hα-helixtrans-62.6-49174.2-70.2163.1000110.5V556 A560 V625 R626 R627 S632 N633V556-I629 HydrophobicContact CG1-CG2 4.05Å; A560-I629 HydrophobicContact CB-CD1 4.09Å; V625-I629 HydrophobicContact CG1-CD1 3.78Å; V625-I629 WeakPolarHBondContact O-CD1 3.2Å; V625-I629 WeakPolarHBondContact O-CG1 3.48Å; V625-I629 PolarHBondContact O-N 3.44Å; R626-I629 PolarHBondContact O-N 2.86Å; R627-I629 VanDerWaalsContact C-N 3.27Å; R627-I629 PolarHBondContact O-N 2.94Å; I629-S632 PolarHBondContact O-N 2.87Å; I629-S632 PolarHBondContact O-OG 3.25Å; I629-N633 WeakPolarHBondContact O-CB 3.21Å; I629-N633 PolarHBondContact O-N 3.02Å
630F42.2Very low42.5Very low144 Ų144100.3 Ų100.363%0.63247%0.467SS*.Hα-helixtrans-61.3-51.3179.2-81.5-77.3000112.4R626 R627 S632 N633 D634R626-F630 VanDerWaalsContact O-CD2 3.28Å; R626-F630 WeakPolarHBondContact O-CD2 3.34Å; R626-F630 PolarHBondContact O-N 2.91Å; R627-F630 PolarHBondContact O-N 3.47Å; F630-S632 VanDerWaalsContact C-N 3.27Å; F630-S632 PolarHBondContact O-N 3.11Å; F630-N633 PolarHBondContact O-N 3.27Å; F630-N633 VanDerWaalsContact O-N 3.09Å; F630-D634 PolarHBondContact O-N 2.86Å
631D45Very low42.2Very low82 Ų8297 Ų9744%0.43946%0.458SS..Hα-helixtrans-63.2-35.8-177.6-158.545.7000111.7R627 R635R627-D631 PolarHBondContact O-N 3.34Å; R627-D631 VanDerWaalsContact O-N 3.13Å; D631-R635 WeakPolarHBondContact O-CG 3.44Å; D631-R635 PolarHBondContact O-N 3.38Å; D631-R635 VanDerWaalsContact O-N 3.1Å; D631-R635 IonicContact OD2-CZ 3.89Å; D631-R635 IonicContact OD2-NE 2.72Å; D631-R635 IonicContact OD2-NH2 2.75Å; D631-R635 PolarHBondContact OD2-NH2 2.97Å
632S43.4Very low42Very low33 Ų3399.8 Ų99.823%0.23148%0.479CS..Hα-helixtrans-72.1-33.7175.772.90000113.4K559 N628 I629 F630 W636K559-S632 PolarHBondContact NZ-OG 3.15Å; N628-S632 WeakPolarHBondContact O-CB 3.4Å; N628-S632 PolarHBondContact O-N 3.47Å; N628-S632 PolarHBondContact O-OG 2.91Å; I629-S632 PolarHBondContact O-N 2.87Å; I629-S632 PolarHBondContact O-OG 3.25Å; F630-S632 VanDerWaalsContact C-N 3.27Å; F630-S632 PolarHBondContact O-N 3.11Å; S632-W636 WeakPolarHBondContact O-CB 3.28Å; S632-W636 PolarHBondContact O-N 3.1Å
633N43Very low42Very low59 Ų5996.4 Ų96.432%0.31647%0.469SS..Hα-helixtrans-68-38.7175.7-111.55.4000111.1I629 F630 W636 R637I629-N633 WeakPolarHBondContact O-CB 3.21Å; I629-N633 PolarHBondContact O-N 3.02Å; F630-N633 PolarHBondContact O-N 3.27Å; F630-N633 VanDerWaalsContact O-N 3.09Å; N633-W636 WeakPolarHBondContact O-CB 3.34Å; N633-W636 PolarHBondContact O-N 3.48Å; N633-R637 WeakPolarHBondContact O-CG 3.35Å; N633-R637 PolarHBondContact O-N 2.9Å
634D46.5Very low42.1Very low83 Ų8398.9 Ų98.944%0.44448%0.481SS..Hα-helixtrans-67.3-43.4175.9-74.7-25.2000111.6F630 W636 R637 Q638F630-D634 PolarHBondContact O-N 2.86Å; D634-W636 VanDerWaalsContact C-N 3.27Å; D634-W636 PolarHBondContact O-N 3.49Å; D634-R637 PolarHBondContact O-N 3.29Å; D634-Q638 WeakPolarHBondContact O-CG 3.39Å; D634-Q638 PolarHBondContact O-N 3.31Å
635R41.9Very low42.1Very low158 Ų15897.7 Ų97.760%0.59648%0.475SS*.Hα-helixtrans-61.4-35.3171.7-72.1-176.1-157.6-163.58.1112.8D631 S639D631-R635 WeakPolarHBondContact O-CG 3.44Å; D631-R635 PolarHBondContact O-N 3.38Å; D631-R635 VanDerWaalsContact O-N 3.1Å; D631-R635 IonicContact OD2-CZ 3.89Å; D631-R635 IonicContact OD2-NE 2.72Å; D631-R635 IonicContact OD2-NH2 2.75Å; D631-R635 PolarHBondContact OD2-NH2 2.97Å; R635-S639 PolarHBondContact O-N 2.9Å; R635-S639 PolarHBondContact O-OG 3.06Å
636W36.6Very low42.2Very low49 Ų4996.5 Ų96.519%0.18647%0.468CS..Hα-helixtrans-67.3-46.9175.5-120.387.4000111.7F324 S632 N633 D634 Q638 S639 Y640F324-W636 HydrophobicContact CE2-CZ2 4.17Å; F324-W636 AromaticContact CZ-CZ2 3.88Å; F324-W636 HydrophobicContact CZ-CZ2 3.88Å; S632-W636 WeakPolarHBondContact O-CB 3.28Å; S632-W636 PolarHBondContact O-N 3.1Å; N633-W636 WeakPolarHBondContact O-CB 3.34Å; N633-W636 PolarHBondContact O-N 3.48Å; D634-W636 VanDerWaalsContact C-N 3.27Å; D634-W636 PolarHBondContact O-N 3.49Å; W636-Q638 VanDerWaalsContact C-N 3.27Å; W636-Q638 PolarHBondContact O-N 3.13Å; W636-S639 PolarHBondContact O-N 2.9Å; W636-Y640 HydrophobicContact CE3-CD2 4.3Å; W636-Y640 HydrophobicContact CZ3-CD2 4.32Å; W636-Y640 HydrophobicContact CZ3-CG 4.43Å; W636-Y640 PolarHBondContact O-N 3.01Å
637R44.6Very low42.7Very low137 Ų13789 Ų8952%0.51744%0.443SS..Hα-helixtrans-59.6-38.8175.1-78.9-179176.3-163.3-0.9111.6N633 D634 G641N633-R637 WeakPolarHBondContact O-CG 3.35Å; N633-R637 PolarHBondContact O-N 2.9Å; D634-R637 PolarHBondContact O-N 3.29Å; R637-G641 VanDerWaalsContact O-CA 3.31Å; R637-G641 WeakPolarHBondContact O-CA 3.34Å; R637-G641 PolarHBondContact O-N 3.28Å
638Q44.3Very low42.9Very low168 Ų16882.1 Ų82.179%0.78542%0.422SS*.Hα-helixtrans-65.6-40.5175.2-77.3179.1-100112.9D634 W636D634-Q638 WeakPolarHBondContact O-CG 3.39Å; D634-Q638 PolarHBondContact O-N 3.31Å; W636-Q638 VanDerWaalsContact C-N 3.27Å; W636-Q638 PolarHBondContact O-N 3.13Å
639S42.3Very low43.2Very low83 Ų8377.7 Ų77.758%0.5840%0.399SS*.Hα-helixtrans-79.7-33-178.5-64.30000113.8R635 W636R635-S639 PolarHBondContact O-N 2.9Å; R635-S639 PolarHBondContact O-OG 3.06Å; W636-S639 PolarHBondContact O-N 2.9Å
640Y40.4Very low42.9Very low121 Ų12180.1 Ų80.148%0.47541%0.412SS..Hα-helixtrans-139.68.8-166.1-61.9-72.3000115.5F324 W636F324-Y640 HydrophobicContact CE2-CE2 4.42Å; F324-Y640 HydrophobicContact CZ-CE2 4.04Å; W636-Y640 HydrophobicContact CE3-CD2 4.3Å; W636-Y640 HydrophobicContact CZ3-CD2 4.32Å; W636-Y640 HydrophobicContact CZ3-CG 4.43Å; W636-Y640 PolarHBondContact O-N 3.01Å
641G39.3Very low42.8Very low37 Ų3775.3 Ų75.338%0.38139%0.391SS..  trans80.1-176.117600000114.8R637R637-G641 VanDerWaalsContact O-CA 3.31Å; R637-G641 WeakPolarHBondContact O-CA 3.34Å; R637-G641 PolarHBondContact O-N 3.28Å
642T37.8Very low42.7Very low114 Ų11472.8 Ų72.870%0.69938%0.377SS*.SBendtrans-61.1132.4179.730.40000111.1Q644T642-Q644 PolarHBondContact O-N 3.41Å; T642-Q644 VanDerWaalsContact O-N 3.12Å
643P39.2Very low42.3Very low72 Ų7274.1 Ų74.147%0.46838%0.382SS..PPolyproline II helixtrans-64.8117-174.9-10.322.8000110.2
644Q43.5Very low41.5Very low166 Ų16676.1 Ų76.178%0.77639%0.392SS*.PPolyproline II helixtrans-77.1120.6156-73.2-177.7-11.200107.7R209 T642R209-Q644 PolarHBondContact NH1-O 3.17Å; T642-Q644 PolarHBondContact O-N 3.41Å; T642-Q644 VanDerWaalsContact O-N 3.12Å
645S46.1Very low41.3Very low39 Ų3975.8 Ų75.827%0.27339%0.389SS..PPolyproline II helixtrans-54144170.744.40000110.2D548D548-S645 WeakPolarHBondContact OD1-CB 3.48Å; D548-S645 PolarHBondContact OD1-OG 2.89Å
646P43.4Very low41.3Very low12 Ų1271.5 Ų71.58%0.07838%0.379CS..PPolyproline II helixtrans-61.1133.8172.125.5-31000109.5F206 T551 A648F206-P646 HydrophobicContact CE2-CB 3.68Å; F206-P646 HydrophobicContact CZ-CB 3.69Å; T551-P646 HydrophobicContact CG2-CG 4.04Å; P646-A648 PolarHBondContact O-N 3.44Å; P646-A648 VanDerWaalsContact O-N 3.12Å
647P48Very low41.5Very low25 Ų2572.7 Ų72.716%0.16239%0.389CS..PPolyproline II helixtrans-48.8117.2170.3-37.243.7000112.8L200 R530L200-P647 HydrophobicContact CD1-CB 4.07Å; L200-P647 HydrophobicContact CD1-CG 3.65Å; L200-P647 HydrophobicContact CD2-CG 4.21Å; R530-P647 VanDerWaalsContact NH2-CG 3.33Å
648A45.5Very low41.3Very low22 Ų2268.9 Ų68.918%0.18238%0.382CS..PPolyproline II helixtrans-71.5124.3165.900000109.7E546 P646E546-A648 HydrophobicContact CB-CB 4.37Å; P646-A648 PolarHBondContact O-N 3.44Å; P646-A648 VanDerWaalsContact O-N 3.12Å
649G49.2Very low41.2Very low5 Ų562.8 Ų62.85%0.05236%0.357CS..PPolyproline II helixtrans-88.9153.4168.900000111.1F651 D652G649-F651 PolarHBondContact O-N 2.81Å; G649-D652 PolarHBondContact N-OD2 3.14Å; G649-D652 PolarHBondContact O-N 3.4Å
650I39.7Very low41.1Very low74 Ų7461.4 Ų61.438%0.37934%0.342SS..THydrogen-bonded Turntrans-59.5-22.6-175.6-136.8167.9000113.7Y189Y189-I650 HydrophobicContact CD2-CG2 4.15Å; Y189-I650 HydrophobicContact CE2-CB 4.43Å; Y189-I650 HydrophobicContact CE2-CG2 3.83Å
651F40.3Very low41.1Very low42 Ų4257.1 Ų57.118%0.18433%0.332CS..THydrogen-bonded Turntrans-103.82.1178.4-62.7-67000113.6Y189 T432 L436 G649 D653 L654Y189-F651 AromaticContact CD1-CD2 3.89Å; Y189-F651 HydrophobicContact CD1-CD2 3.89Å; Y189-F651 AromaticContact CD1-CE2 3.91Å; Y189-F651 HydrophobicContact CD1-CE2 3.91Å; Y189-F651 AromaticContact CD2-CD2 3.82Å; Y189-F651 HydrophobicContact CD2-CD2 3.82Å; Y189-F651 AromaticContact CD2-CE2 3.63Å; Y189-F651 HydrophobicContact CD2-CE2 3.63Å; Y189-F651 AromaticContact CE1-CD2 3.65Å; Y189-F651 HydrophobicContact CE1-CD2 3.65Å; Y189-F651 HydrophobicContact CE1-CE2 4.15Å; Y189-F651 AromaticContact CE2-CD2 3.58Å; Y189-F651 HydrophobicContact CE2-CD2 3.58Å; Y189-F651 AromaticContact CE2-CE2 3.9Å; Y189-F651 HydrophobicContact CE2-CE2 3.9Å; Y189-F651 AromaticContact CG-CD2 3.96Å; Y189-F651 HydrophobicContact CG-CD2 3.96Å; Y189-F651 AromaticContact CG-CE2 3.62Å; Y189-F651 HydrophobicContact CG-CE2 3.62Å; Y189-F651 AromaticContact CZ-CD2 3.48Å; Y189-F651 VanDerWaalsContact CZ-CD2 3.48Å; T432-F651 HydrophobicContact CG2-CD2 4.45Å; T432-F651 HydrophobicContact CG2-CE2 4.06Å; L436-F651 HydrophobicContact CD1-CE1 4.23Å; L436-F651 HydrophobicContact CD1-CZ 4.44Å; L436-F651 HydrophobicContact CG-CD1 4.33Å; L436-F651 HydrophobicContact CG-CE1 4.29Å; G649-F651 PolarHBondContact O-N 2.81Å; F651-D653 PolarHBondContact O-N 3.37Å; F651-L654 HydrophobicContact CD1-CD1 3.77Å; F651-L654 HydrophobicContact CE1-CD1 4.06Å
652D42.7Very low41.3Very low30 Ų3058.7 Ų58.716%0.1633%0.328CS..SBendtrans-71.8-18.9172.2-76.7-46000110.7R214 K217 G649R214-D652 IonicContact NH2-OD1 2.67Å; K217-D652 PolarHBondContact NZ-O 2.85Å; G649-D652 PolarHBondContact N-OD2 3.14Å; G649-D652 PolarHBondContact O-N 3.4Å
653D33.4Very low41.6Very low60 Ų6054.1 Ų54.132%0.32130%0.297SS..  trans-101.8-19.1179.7-69.7-24.1000117K217 F651K217-D653 IonicContact NZ-OD1 2.76Å; K217-D653 PolarHBondContact NZ-OD1 2.83Å; F651-D653 PolarHBondContact O-N 3.37Å
654L27.9Very low41.8Very low102 Ų10252.5 Ų52.553%0.53428%0.282SS..  trans-80.80169-66.4168.5000110.1K437 Y439 F651K437-L654 CarbonylContact C-O 3.46Å; K437-L654 VanDerWaalsContact C-O 3.25Å; K437-L654 WeakPolarHBondContact CB-O 3.38Å; K437-L654 WeakPolarHBondContact CB-OXT 3.48Å; K437-L654 VanDerWaalsContact CD-OXT 3.28Å; K437-L654 WeakPolarHBondContact CD-OXT 3.09Å; K437-L654 CarbonylContact O-C 3.31Å; K437-L654 VanDerWaalsContact O-C 3.31Å; K437-L654 WeakPolarHBondContact O-CB 3.41Å; K437-L654 VanDerWaalsContact O-O 3.06Å; Y439-L654 PolarHBondContact N-O 2.88Å; F651-L654 HydrophobicContact CD1-CD1 3.77Å; F651-L654 HydrophobicContact CE1-CD1 4.06Å

Retrieved 654 of 654 residues in 390.8 ms (Link to these results)

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