A0A3Q0KCK9_SCHMA Loading...

TIR domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KCK9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 517 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
1M58.8Low72.9Confident116 Ų11677.5 Ų77.557%0.57145%0.448SS*.  0131.70-83.6173.668.200108.2D5 F6 L9 L46M1-D5 WeakPolarHBondContact CA-OD2 3.42Å; M1-D5 HydrophobicContact CB-CB 4.15Å; M1-D5 HydrophobicContact CE-CB 3.78Å; M1-D5 HydrophobicContact CG-CB 4.11Å; M1-F6 VanDerWaalsContact CE-CA 3.4Å; M1-F6 HydrophobicContact CE-CB 3.85Å; M1-F6 HydrophobicContact CE-CD2 3.97Å; M1-F6 HydrophobicContact CE-CG 4.4Å; M1-L9 HydrophobicContact CE-CD1 3.32Å; M1-L9 HydrophobicContact CE-CG 4.03Å; M1-L9 HydrophobicContact SD-CD1 4.04Å; M1-L46 HydrophobicContact SD-CD1 3.27Å; M1-L46 WeakPolarHBondContact SD-CD1 3.37Å
2S57.7Low74.1Confident52 Ų5279.9 Ų79.936%0.36445%0.453SS..  trans-63.1162.716678.50000109.4D4 D5 F6S2-D4 PolarHBondContact O-N 3.39Å; S2-D4 PolarHBondContact OG-N 3.22Å; S2-D5 PolarHBondContact N-OD2 3.46Å; S2-D5 PolarHBondContact O-N 3.03Å; S2-D5 PolarHBondContact OG-N 3.31Å; S2-D5 PolarHBondContact OG-OD1 3.38Å; S2-D5 PolarHBondContact OG-OD2 2.96Å; S2-F6 PolarHBondContact O-N 2.71Å
3A62.4Low75.2Confident87 Ų8774 Ų7472%0.71942%0.42SS*.Hα-helixtrans-61.2-30.1172.800000111.5F6 G7A3-F6 PolarHBondContact O-N 2.93Å; A3-G7 PolarHBondContact O-N 3.19Å; A3-G7 VanDerWaalsContact O-N 3.1Å
4D64.1Low76.3Confident123 Ų12371.3 Ų71.366%0.65841%0.408SS*.Hα-helixtrans-69.4-46.2179.3-60.2-25.2000110.9S2 F6 G7 E8S2-D4 PolarHBondContact O-N 3.39Å; S2-D4 PolarHBondContact OG-N 3.22Å; D4-F6 PolarHBondContact O-N 3.47Å; D4-G7 PolarHBondContact O-N 3.5Å; D4-G7 VanDerWaalsContact O-N 3.1Å; D4-E8 PolarHBondContact O-N 3.17Å
5D71.1Confident77.3Confident72 Ų7275.5 Ų75.539%0.38542%0.419SS..Hα-helixtrans-57-38.4176-49-16.4000110.7M1 S2 L9M1-D5 WeakPolarHBondContact CA-OD2 3.42Å; M1-D5 HydrophobicContact CB-CB 4.15Å; M1-D5 HydrophobicContact CE-CB 3.78Å; M1-D5 HydrophobicContact CG-CB 4.11Å; S2-D5 PolarHBondContact N-OD2 3.46Å; S2-D5 PolarHBondContact O-N 3.03Å; S2-D5 PolarHBondContact OG-N 3.31Å; S2-D5 PolarHBondContact OG-OD1 3.38Å; S2-D5 PolarHBondContact OG-OD2 2.96Å; D5-L9 WeakPolarHBondContact O-CG 3.3Å; D5-L9 PolarHBondContact O-N 2.98Å; D5-L9 VanDerWaalsContact O-N 3.1Å
6F73.8Confident78.2Confident52 Ų5272.5 Ų72.523%0.22840%0.403CS..Hα-helixtrans-71.3-37.6-178.7-169.2-104.3000112.1M1 S2 A3 D4 L10 Y49 K52M1-F6 VanDerWaalsContact CE-CA 3.4Å; M1-F6 HydrophobicContact CE-CB 3.85Å; M1-F6 HydrophobicContact CE-CD2 3.97Å; M1-F6 HydrophobicContact CE-CG 4.4Å; S2-F6 PolarHBondContact O-N 2.71Å; A3-F6 PolarHBondContact O-N 2.93Å; D4-F6 PolarHBondContact O-N 3.47Å; F6-L10 HydrophobicContact CD1-CD1 3.76Å; F6-L10 HydrophobicContact CE1-CD1 3.76Å; F6-L10 HydrophobicContact CZ-CD1 4.49Å; F6-L10 VanDerWaalsContact O-CD1 3.3Å; F6-L10 WeakPolarHBondContact O-CD1 2.89Å; F6-L10 VanDerWaalsContact O-CG 3.23Å; F6-L10 WeakPolarHBondContact O-CG 3.34Å; F6-L10 PolarHBondContact O-N 2.75Å; F6-Y49 HydrophobicContact CD2-CD2 4.31Å; F6-Y49 HydrophobicContact CE2-CD2 4.03Å; F6-Y49 HydrophobicContact CE2-CG 4.37Å; F6-K52 HydrophobicContact CD1-CD 4.38Å; F6-K52 HydrophobicContact CE1-CD 3.28Å; F6-K52 HydrophobicContact CZ-CB 4.18Å; F6-K52 HydrophobicContact CZ-CD 3.66Å
7G78.8Confident79.1Confident32 Ų3268.2 Ų68.233%0.3338%0.379SS..Hα-helixtrans-65.8-40173.400000113A3 D4 L10 T11A3-G7 PolarHBondContact O-N 3.19Å; A3-G7 VanDerWaalsContact O-N 3.1Å; D4-G7 PolarHBondContact O-N 3.5Å; D4-G7 VanDerWaalsContact O-N 3.1Å; G7-L10 PolarHBondContact O-N 3.01Å; G7-T11 PolarHBondContact O-N 3.33Å; G7-T11 PolarHBondContact O-OG1 3.31Å
8E81Confident79.8Confident138 Ų13868.8 Ų68.865%0.64538%0.381SS*.Hα-helixtrans-63.1-49.8176.4-72.5-177.8176.800111.6D4 L10 T11 E12D4-E8 PolarHBondContact O-N 3.17Å; E8-L10 VanDerWaalsContact C-N 3.3Å; E8-L10 PolarHBondContact O-N 2.85Å; E8-T11 WeakPolarHBondContact O-CB 3.36Å; E8-T11 PolarHBondContact O-N 3.17Å; E8-E12 PolarHBondContact O-N 2.98Å
9L82.9Confident80.6Confident57 Ų5769.2 Ų69.230%0.29838%0.38SS..Hα-helixtrans-59.8-39.1178.3-69.3-172.9000112.5M1 D5 T11 E12 A13 Y49M1-L9 HydrophobicContact CE-CD1 3.32Å; M1-L9 HydrophobicContact CE-CG 4.03Å; M1-L9 HydrophobicContact SD-CD1 4.04Å; D5-L9 WeakPolarHBondContact O-CG 3.3Å; D5-L9 PolarHBondContact O-N 2.98Å; D5-L9 VanDerWaalsContact O-N 3.1Å; L9-T11 VanDerWaalsContact C-N 3.31Å; L9-T11 PolarHBondContact O-N 3Å; L9-E12 PolarHBondContact O-N 3.37Å; L9-A13 PolarHBondContact O-N 3.17Å; L9-Y49 HydrophobicContact CB-CD2 4.16Å; L9-Y49 HydrophobicContact CB-CE2 3.47Å; L9-Y49 VanDerWaalsContact CB-CE2 3.47Å; L9-Y49 HydrophobicContact CD1-CE2 4.41Å; L9-Y49 PolarHBondContact O-OH 3.47Å; L9-Y49 VanDerWaalsContact O-OH 3.1Å
10L84.7Confident81.2Confident24 Ų2465.7 Ų65.713%0.12636%0.361CS..Hα-helixtrans-66.8-36.1176.9-71.5162.2000112.3F6 G7 E8 E12 S14 Y49 K52 V53F6-L10 HydrophobicContact CD1-CD1 3.76Å; F6-L10 HydrophobicContact CE1-CD1 3.76Å; F6-L10 HydrophobicContact CZ-CD1 4.49Å; F6-L10 VanDerWaalsContact O-CD1 3.3Å; F6-L10 WeakPolarHBondContact O-CD1 2.89Å; F6-L10 VanDerWaalsContact O-CG 3.23Å; F6-L10 WeakPolarHBondContact O-CG 3.34Å; F6-L10 PolarHBondContact O-N 2.75Å; G7-L10 PolarHBondContact O-N 3.01Å; E8-L10 VanDerWaalsContact C-N 3.3Å; E8-L10 PolarHBondContact O-N 2.85Å; L10-E12 VanDerWaalsContact C-N 3.34Å; L10-S14 WeakPolarHBondContact O-CB 3.46Å; L10-S14 PolarHBondContact O-N 3.36Å; L10-Y49 HydrophobicContact CD2-CD2 4.17Å; L10-Y49 HydrophobicContact CD2-CE2 4.01Å; L10-Y49 HydrophobicContact CG-CD2 4.34Å; L10-Y49 HydrophobicContact CG-CE2 4.13Å; L10-K52 HydrophobicContact CD1-CD 3.55Å; L10-K52 HydrophobicContact CD1-CG 4.36Å; L10-K52 HydrophobicContact CD2-CB 4.15Å; L10-K52 HydrophobicContact CD2-CD 3.95Å; L10-K52 HydrophobicContact CD2-CG 3.89Å; L10-K52 HydrophobicContact CG-CD 4.36Å; L10-V53 HydrophobicContact CD2-CG2 3.83Å
11T86.6Confident81.7Confident99 Ų9963 Ų6361%0.60735%0.346SS*.Hα-helixtrans-66.1-41.9176.7-57.20000110.2G7 E8 L9 S14 K15G7-T11 PolarHBondContact O-N 3.33Å; G7-T11 PolarHBondContact O-OG1 3.31Å; E8-T11 WeakPolarHBondContact O-CB 3.36Å; E8-T11 PolarHBondContact O-N 3.17Å; L9-T11 VanDerWaalsContact C-N 3.31Å; L9-T11 PolarHBondContact O-N 3Å; T11-S14 PolarHBondContact O-N 2.65Å; T11-K15 WeakPolarHBondContact O-CB 3.09Å; T11-K15 PolarHBondContact O-N 3.31Å
12E87.7Confident83.4Confident107 Ų10762.8 Ų62.850%0.535%0.345SS..Hα-helixtrans-61.6-51.8173.7-173.2172.1-157.800111.5E8 L9 L10 S14 K15 D16E8-E12 PolarHBondContact O-N 2.98Å; L9-E12 PolarHBondContact O-N 3.37Å; L10-E12 VanDerWaalsContact C-N 3.34Å; E12-S14 VanDerWaalsContact C-N 3.29Å; E12-S14 PolarHBondContact O-N 3.24Å; E12-K15 WeakPolarHBondContact O-CA 3.29Å; E12-K15 WeakPolarHBondContact O-CB 3.33Å; E12-K15 PolarHBondContact O-N 3.16Å; E12-D16 PolarHBondContact O-N 3.01Å
13A88.3Confident85.1Confident3 Ų361.1 Ų61.13%0.02533%0.332CS..Hα-helixtrans-57.9-41176.100000112.8L9 K15 D16 I17 Y49 V53 I57L9-A13 PolarHBondContact O-N 3.17Å; A13-K15 VanDerWaalsContact C-N 3.31Å; A13-K15 PolarHBondContact O-N 3.35Å; A13-D16 PolarHBondContact O-N 3.22Å; A13-I17 WeakPolarHBondContact O-CB 3.46Å; A13-I17 WeakPolarHBondContact O-CD1 3.41Å; A13-I17 VanDerWaalsContact O-CG1 3.23Å; A13-I17 WeakPolarHBondContact O-CG1 3.44Å; A13-I17 PolarHBondContact O-N 3.02Å; A13-Y49 WeakPolarHBondContact CB-OH 3.34Å; A13-V53 HydrophobicContact CB-CG1 4.49Å; A13-V53 HydrophobicContact CB-CG2 4.07Å; A13-I57 HydrophobicContact CB-CD1 4.21Å
14S89.8Confident86.5Confident36 Ų3657.3 Ų57.325%0.25230%0.3SS..Hα-helixtrans-65.2-36.3176.2-172.50000112.1L10 T11 E12 N18L10-S14 WeakPolarHBondContact O-CB 3.46Å; L10-S14 PolarHBondContact O-N 3.36Å; T11-S14 PolarHBondContact O-N 2.65Å; E12-S14 VanDerWaalsContact C-N 3.29Å; E12-S14 PolarHBondContact O-N 3.24Å; S14-N18 WeakPolarHBondContact O-CB 3.45Å; S14-N18 VanDerWaalsContact O-CG 3.23Å; S14-N18 PolarHBondContact O-N 3.46Å; S14-N18 PolarHBondContact O-ND2 2.98Å
15K92.2Very high87.8Confident134 Ų13457.5 Ų57.558%0.58330%0.295SS*.Hα-helixtrans-66.1-49.9176.6-177.4-168168.7-155.10110.2T11 E12 A13 I17 N18 E19T11-K15 WeakPolarHBondContact O-CB 3.09Å; T11-K15 PolarHBondContact O-N 3.31Å; E12-K15 WeakPolarHBondContact O-CA 3.29Å; E12-K15 WeakPolarHBondContact O-CB 3.33Å; E12-K15 PolarHBondContact O-N 3.16Å; A13-K15 VanDerWaalsContact C-N 3.31Å; A13-K15 PolarHBondContact O-N 3.35Å; K15-I17 VanDerWaalsContact C-N 3.35Å; K15-I17 PolarHBondContact O-N 3.19Å; K15-N18 WeakPolarHBondContact O-CB 3.43Å; K15-N18 PolarHBondContact O-N 3.13Å; K15-N18 VanDerWaalsContact O-N 3.15Å; K15-E19 PolarHBondContact O-N 2.85Å
16D92Very high88.8Confident28 Ų2857.2 Ų57.215%0.1530%0.298CS..Hα-helixtrans-60.9-42.4-179.3-70.66.4000111.7E12 A13 N18 E19 L20 L37 S40 F41E12-D16 PolarHBondContact O-N 3.01Å; A13-D16 PolarHBondContact O-N 3.22Å; D16-N18 VanDerWaalsContact C-N 3.33Å; D16-N18 PolarHBondContact O-N 3.41Å; D16-E19 PolarHBondContact O-N 2.74Å; D16-L20 WeakPolarHBondContact O-CB 3.3Å; D16-L20 PolarHBondContact O-N 2.93Å; D16-L37 HydrophobicContact CB-CD2 3.7Å; D16-S40 PolarHBondContact OD2-OG 3.27Å; D16-F41 HydrophobicContact CB-CE1 3.94Å; D16-F41 HydrophobicContact CB-CE2 4.36Å; D16-F41 HydrophobicContact CB-CZ 3.46Å; D16-F41 VanDerWaalsContact CB-CZ 3.46Å
17I92Very high89.6Confident0 Ų060.8 Ų60.80%031%0.314CS..Hα-helixtrans-63.6-42177.3-71.5161.7000110.6A13 K15 E19 I21 F41 V53 I57 L58 V63A13-I17 WeakPolarHBondContact O-CB 3.46Å; A13-I17 WeakPolarHBondContact O-CD1 3.41Å; A13-I17 VanDerWaalsContact O-CG1 3.23Å; A13-I17 WeakPolarHBondContact O-CG1 3.44Å; A13-I17 PolarHBondContact O-N 3.02Å; K15-I17 VanDerWaalsContact C-N 3.35Å; K15-I17 PolarHBondContact O-N 3.19Å; I17-E19 VanDerWaalsContact C-N 3.34Å; I17-I21 HydrophobicContact CG2-CD1 4Å; I17-I21 VanDerWaalsContact O-CG1 3.25Å; I17-I21 WeakPolarHBondContact O-CG1 3.38Å; I17-I21 PolarHBondContact O-N 3.28Å; I17-F41 HydrophobicContact CB-CZ 4.4Å; I17-F41 HydrophobicContact CD1-CE1 4.13Å; I17-F41 HydrophobicContact CD1-CZ 4.43Å; I17-F41 HydrophobicContact CG1-CE1 3.64Å; I17-F41 HydrophobicContact CG1-CE2 4.38Å; I17-F41 HydrophobicContact CG1-CZ 3.46Å; I17-F41 VanDerWaalsContact CG1-CZ 3.46Å; I17-V53 HydrophobicContact CD1-CG1 4.24Å; I17-I57 HydrophobicContact CB-CG2 4.46Å; I17-I57 HydrophobicContact CD1-CB 4.21Å; I17-I57 HydrophobicContact CD1-CG2 3.47Å; I17-I57 VanDerWaalsContact CD1-CG2 3.47Å; I17-I57 HydrophobicContact CG2-CG2 4.41Å; I17-L58 HydrophobicContact CD1-CD2 3.42Å; I17-L58 VanDerWaalsContact CD1-CD2 3.42Å; I17-L58 HydrophobicContact CD1-CG 4.2Å; I17-L58 HydrophobicContact CG1-CD2 4.06Å; I17-L58 HydrophobicContact CG2-CD2 4.48Å; I17-V63 HydrophobicContact CG2-CG1 3.57Å
18N92.6Very high90.2Very high79 Ų7964.7 Ų64.742%0.42232%0.321SS..Hα-helixtrans-66.1-38.7176.7-75.6-35.6000111.5S14 K15 D16 I21 M22S14-N18 WeakPolarHBondContact O-CB 3.45Å; S14-N18 VanDerWaalsContact O-CG 3.23Å; S14-N18 PolarHBondContact O-N 3.46Å; S14-N18 PolarHBondContact O-ND2 2.98Å; K15-N18 WeakPolarHBondContact O-CB 3.43Å; K15-N18 PolarHBondContact O-N 3.13Å; K15-N18 VanDerWaalsContact O-N 3.15Å; D16-N18 VanDerWaalsContact C-N 3.33Å; D16-N18 PolarHBondContact O-N 3.41Å; N18-I21 PolarHBondContact O-N 3.36Å; N18-M22 WeakPolarHBondContact O-CB 3.34Å; N18-M22 VanDerWaalsContact O-CG 3.26Å; N18-M22 WeakPolarHBondContact O-CG 3.13Å; N18-M22 PolarHBondContact O-N 3.25Å
19E94.2Very high90.6Very high75 Ų7558.5 Ų58.535%0.3529%0.292SS..Hα-helixtrans-65.2-44.7176.9-165.3163.8-178.800111.7K15 D16 I17 I21 M22 L23 L37K15-E19 PolarHBondContact O-N 2.85Å; D16-E19 PolarHBondContact O-N 2.74Å; I17-E19 VanDerWaalsContact C-N 3.34Å; E19-I21 VanDerWaalsContact C-N 3.3Å; E19-I21 PolarHBondContact O-N 2.96Å; E19-M22 WeakPolarHBondContact O-CB 3.43Å; E19-M22 PolarHBondContact O-N 3.38Å; E19-M22 VanDerWaalsContact O-N 3.08Å; E19-L23 WeakPolarHBondContact O-CG 3.42Å; E19-L23 PolarHBondContact O-N 3.15Å; E19-L37 HydrophobicContact CB-CD1 4.02Å; E19-L37 HydrophobicContact CB-CD2 4.45Å; E19-L37 HydrophobicContact CG-CD1 3.86Å
20L93.2Very high91Very high0 Ų060.3 Ų60.30%030%0.302CS..Hα-helixtrans-56.3-45173.2-175.975.7000111.3D16 S24 F34 L37 L38 F101D16-L20 WeakPolarHBondContact O-CB 3.3Å; D16-L20 PolarHBondContact O-N 2.93Å; L20-S24 WeakPolarHBondContact O-CB 3.46Å; L20-S24 PolarHBondContact O-N 3.12Å; L20-F34 HydrophobicContact CD1-CD2 3.69Å; L20-F34 HydrophobicContact CD1-CE2 3.41Å; L20-F34 VanDerWaalsContact CD1-CE2 3.41Å; L20-F34 HydrophobicContact CD1-CG 4.35Å; L20-F34 HydrophobicContact CD1-CZ 3.87Å; L20-F34 HydrophobicContact CG-CE2 4.19Å; L20-L37 HydrophobicContact CB-CD1 4.36Å; L20-L37 HydrophobicContact CD1-CB 4Å; L20-L38 HydrophobicContact CD1-CD2 4.07Å; L20-L38 HydrophobicContact CD1-CG 4.36Å; L20-F101 HydrophobicContact CD2-CE2 3.97Å
21I92.8Very high91.3Very high9 Ų961 Ų615%0.04631%0.307CS..Hα-helixtrans-64.3-41.4176.6-70.3169.2000111I17 N18 E19 S24 K25 V63 N66I17-I21 HydrophobicContact CG2-CD1 4Å; I17-I21 VanDerWaalsContact O-CG1 3.25Å; I17-I21 WeakPolarHBondContact O-CG1 3.38Å; I17-I21 PolarHBondContact O-N 3.28Å; N18-I21 PolarHBondContact O-N 3.36Å; E19-I21 VanDerWaalsContact C-N 3.3Å; E19-I21 PolarHBondContact O-N 2.96Å; I21-S24 PolarHBondContact O-N 2.9Å; I21-K25 HydrophobicContact CG2-CD 4.14Å; I21-K25 HydrophobicContact CG2-CG 4.41Å; I21-K25 WeakPolarHBondContact O-CG 3.38Å; I21-K25 PolarHBondContact O-N 2.82Å; I21-V63 HydrophobicContact CD1-CB 4.41Å; I21-V63 HydrophobicContact CD1-CG1 4.07Å; I21-N66 HydrophobicContact CB-CB 4.38Å; I21-N66 HydrophobicContact CD1-CB 3.84Å; I21-N66 HydrophobicContact CG1-CB 3.78Å; I21-N66 HydrophobicContact CG2-CB 3.73Å
22M93.9Very high91.5Very high112 Ų11263.5 Ų63.555%0.55231%0.312SS*.Hα-helixtrans-65.6-42.6179.1-76.8-60.6-6300112.5N18 E19 K25 S26N18-M22 WeakPolarHBondContact O-CB 3.34Å; N18-M22 VanDerWaalsContact O-CG 3.26Å; N18-M22 WeakPolarHBondContact O-CG 3.13Å; N18-M22 PolarHBondContact O-N 3.25Å; E19-M22 WeakPolarHBondContact O-CB 3.43Å; E19-M22 PolarHBondContact O-N 3.38Å; E19-M22 VanDerWaalsContact O-N 3.08Å; M22-K25 PolarHBondContact O-N 3.29Å; M22-S26 WeakPolarHBondContact O-CB 3.27Å; M22-S26 PolarHBondContact O-N 2.87Å; M22-S26 PolarHBondContact O-OG 3.36Å
23L93.8Very high91.7Very high17 Ų1762.4 Ų62.49%0.08931%0.31CS..Hα-helixtrans-62-44.2173.5-69.1176.5000111.1E19 S26 K27 K28 D33 F34 L37E19-L23 WeakPolarHBondContact O-CG 3.42Å; E19-L23 PolarHBondContact O-N 3.15Å; L23-S26 CarbonylContact O-C 3.48Å; L23-S26 PolarHBondContact O-N 3.26Å; L23-K27 PolarHBondContact O-N 3.03Å; L23-K27 VanDerWaalsContact O-N 3.16Å; L23-K28 HydrophobicContact CB-CB 4.31Å; L23-K28 HydrophobicContact CD2-CB 4.04Å; L23-K28 HydrophobicContact CD2-CD 3.95Å; L23-K28 PolarHBondContact O-N 3.42Å; L23-D33 HydrophobicContact CD1-CB 3.94Å; L23-F34 HydrophobicContact CB-CD2 4.06Å; L23-F34 HydrophobicContact CD1-CB 4.16Å; L23-F34 HydrophobicContact CD1-CD2 4.38Å; L23-L37 HydrophobicContact CD1-CD1 3.66Å
24S91.1Very high91.9Very high7 Ų762.2 Ų62.25%0.04931%0.309CS..Hα-helixtrans-61.7-47177174.50000112.8L20 I21 S26 K27 Y29 V70L20-S24 WeakPolarHBondContact O-CB 3.46Å; L20-S24 PolarHBondContact O-N 3.12Å; I21-S24 PolarHBondContact O-N 2.9Å; S24-S26 PolarHBondContact O-N 2.77Å; S24-K27 WeakPolarHBondContact O-CA 2.93Å; S24-K27 PolarHBondContact O-N 2.99Å; S24-Y29 PolarHBondContact O-OH 3.42Å; S24-Y29 VanDerWaalsContact OG-CE1 3.32Å; S24-Y29 WeakPolarHBondContact OG-CE1 3.5Å; S24-Y29 PolarHBondContact OG-OH 3.34Å; S24-V70 WeakPolarHBondContact OG-CG2 3.35Å
25K90.4Very high91.9Very high126 Ų12662.3 Ų62.355%0.54831%0.306SS..Hα-helixtrans-59.5-35.3175.6-76.2178.6179.5178.20112I21 M22 K27 N66I21-K25 HydrophobicContact CG2-CD 4.14Å; I21-K25 HydrophobicContact CG2-CG 4.41Å; I21-K25 WeakPolarHBondContact O-CG 3.38Å; I21-K25 PolarHBondContact O-N 2.82Å; M22-K25 PolarHBondContact O-N 3.29Å; K25-K27 PolarHBondContact O-N 2.89Å; K25-N66 WeakPolarHBondContact CE-OD1 3.35Å
26S92.4Very high91.8Very high66 Ų6662 Ų6246%0.46231%0.307SS..THydrogen-bonded Turntrans-81.15.7175.7-51.30000113.7M22 L23 S24 K28M22-S26 WeakPolarHBondContact O-CB 3.27Å; M22-S26 PolarHBondContact O-N 2.87Å; M22-S26 PolarHBondContact O-OG 3.36Å; L23-S26 CarbonylContact O-C 3.48Å; L23-S26 PolarHBondContact O-N 3.26Å; S24-S26 PolarHBondContact O-N 2.77Å; S26-K28 PolarHBondContact O-N 2.97Å
27K90.4Very high91.7Very high128 Ų12861.2 Ų61.256%0.55730%0.303SS*.THydrogen-bonded Turntrans55.625.8-175.4-58.2-63.8-170.4-179.50114.4L23 S24 K25 Y29 E73L23-K27 PolarHBondContact O-N 3.03Å; L23-K27 VanDerWaalsContact O-N 3.16Å; S24-K27 WeakPolarHBondContact O-CA 2.93Å; S24-K27 PolarHBondContact O-N 2.99Å; K25-K27 PolarHBondContact O-N 2.89Å; K27-Y29 VanDerWaalsContact C-N 3.27Å; K27-Y29 HydrophobicContact CB-CE2 4.4Å; K27-Y29 HydrophobicContact CD-CE2 3.73Å; K27-Y29 PolarHBondContact O-N 3.1Å; K27-E73 IonicContact NZ-OE2 2.66Å; K27-E73 PolarHBondContact NZ-OE2 3.48Å
28K92.4Very high91.4Very high113 Ų11361.6 Ų61.649%0.49130%0.304SS..  trans-88.341.6-178.9-68-173.8176.6-176.10113.4L23 S26 D30 T31L23-K28 HydrophobicContact CB-CB 4.31Å; L23-K28 HydrophobicContact CD2-CB 4.04Å; L23-K28 HydrophobicContact CD2-CD 3.95Å; L23-K28 PolarHBondContact O-N 3.42Å; S26-K28 PolarHBondContact O-N 2.97Å; K28-D30 PolarHBondContact O-N 3.33Å; K28-T31 HydrophobicContact CB-CG2 3.91Å; K28-T31 HydrophobicContact CD-CG2 4.49Å; K28-T31 HydrophobicContact CG-CG2 4.5Å; K28-T31 PolarHBondContact O-N 3.49Å; K28-T31 PolarHBondContact O-OG1 3.26Å
29Y89.5Confident90.7Very high9 Ų964.6 Ų64.64%0.03531%0.31CS..THydrogen-bonded Turntrans-65.6-19.4179.1-54.5-85000113S24 K27 T31 F34 V70 L74 M77 W94 K97S24-Y29 PolarHBondContact O-OH 3.42Å; S24-Y29 VanDerWaalsContact OG-CE1 3.32Å; S24-Y29 WeakPolarHBondContact OG-CE1 3.5Å; S24-Y29 PolarHBondContact OG-OH 3.34Å; K27-Y29 VanDerWaalsContact C-N 3.27Å; K27-Y29 HydrophobicContact CB-CE2 4.4Å; K27-Y29 HydrophobicContact CD-CE2 3.73Å; K27-Y29 PolarHBondContact O-N 3.1Å; Y29-T31 VanDerWaalsContact C-N 3.33Å; Y29-T31 PolarHBondContact O-N 3.1Å; Y29-F34 HydrophobicContact CD1-CE1 4.15Å; Y29-F34 AromaticContact CD1-CE2 3.79Å; Y29-F34 HydrophobicContact CD1-CE2 3.79Å; Y29-F34 AromaticContact CD1-CZ 3.59Å; Y29-F34 HydrophobicContact CD1-CZ 3.59Å; Y29-F34 HydrophobicContact CE1-CE2 4.29Å; Y29-F34 HydrophobicContact CE1-CZ 4.23Å; Y29-V70 HydrophobicContact CE1-CG1 4.41Å; Y29-L74 HydrophobicContact CD1-CD2 4.12Å; Y29-M77 HydrophobicContact CD1-CE 4.04Å; Y29-M77 HydrophobicContact CD2-CE 3.63Å; Y29-M77 HydrophobicContact CD2-SD 4.28Å; Y29-M77 HydrophobicContact CE1-CE 4.48Å; Y29-M77 HydrophobicContact CE2-CE 4.07Å; Y29-M77 HydrophobicContact CG-CE 3.62Å; Y29-W94 VanDerWaalsContact CB-CZ3 3.43Å; Y29-K97 WeakPolarHBondContact O-CE 3.22Å; Y29-K97 PolarHBondContact O-NZ 3.19Å
30D90.1Very high89.9Confident94 Ų9463.8 Ų63.850%0.50331%0.312SS..THydrogen-bonded Turntrans-92.223.9-178.6-159.72.3000114.5K28 K93 W94K28-D30 PolarHBondContact O-N 3.33Å; D30-K93 WeakPolarHBondContact OD1-CE 3.29Å; D30-K93 IonicContact OD1-NZ 3.05Å; D30-K93 PolarHBondContact OD1-NZ 3.1Å; D30-K93 IonicContact OD2-NZ 2.63Å; D30-K93 PolarHBondContact OD2-NZ 3.5Å; D30-W94 HydrophobicContact CB-CH2 3.9Å
31T91.8Very high88.8Confident38 Ų3864.3 Ų64.323%0.23332%0.315CS..SBendtrans-101.1148.7179.652.90000110.3K28 Y29 D33 F34 D35K28-T31 HydrophobicContact CB-CG2 3.91Å; K28-T31 HydrophobicContact CD-CG2 4.49Å; K28-T31 HydrophobicContact CG-CG2 4.5Å; K28-T31 PolarHBondContact O-N 3.49Å; K28-T31 PolarHBondContact O-OG1 3.26Å; Y29-T31 VanDerWaalsContact C-N 3.33Å; Y29-T31 PolarHBondContact O-N 3.1Å; T31-D33 PolarHBondContact O-N 2.95Å; T31-F34 WeakPolarHBondContact O-CB 3.32Å; T31-F34 PolarHBondContact O-N 2.7Å; T31-F34 VanDerWaalsContact O-N 3.15Å; T31-F34 WeakPolarHBondContact OG1-CB 3.43Å; T31-F34 PolarHBondContact OG1-N 3.37Å; T31-D35 PolarHBondContact O-N 3.37Å
32E91Very high87.2Confident153 Ų15369 Ų6972%0.71534%0.339SS*.Hα-helixtrans-58.9-40.6171.2-70.1179.2175.100110.2F34 D35 E36E32-F34 PolarHBondContact O-N 2.89Å; E32-D35 WeakPolarHBondContact O-CA 3.33Å; E32-D35 WeakPolarHBondContact O-CB 3.45Å; E32-D35 PolarHBondContact O-N 2.9Å; E32-E36 PolarHBondContact O-N 2.6Å
33D92.2Very high85.6Confident83 Ų8366.2 Ų66.244%0.44433%0.33SS..Hα-helixtrans-52.2-41.6173.2-54-15000112.4L23 T31 D35 E36 L37L23-D33 HydrophobicContact CD1-CB 3.94Å; T31-D33 PolarHBondContact O-N 2.95Å; D33-D35 VanDerWaalsContact C-N 3.35Å; D33-E36 PolarHBondContact O-N 3.37Å; D33-L37 WeakPolarHBondContact O-CB 3.32Å; D33-L37 WeakPolarHBondContact O-CD1 3.49Å; D33-L37 VanDerWaalsContact O-CG 3.23Å; D33-L37 WeakPolarHBondContact O-CG 3.37Å; D33-L37 PolarHBondContact O-N 3.46Å
34F92.2Very high84Confident0 Ų067.1 Ų67.10%034%0.337CS..Hα-helixtrans-66.4-37.7177.6-170-90.8000111.8L20 L23 Y29 T31 E32 L38 V70 L74L20-F34 HydrophobicContact CD1-CD2 3.69Å; L20-F34 HydrophobicContact CD1-CE2 3.41Å; L20-F34 VanDerWaalsContact CD1-CE2 3.41Å; L20-F34 HydrophobicContact CD1-CG 4.35Å; L20-F34 HydrophobicContact CD1-CZ 3.87Å; L20-F34 HydrophobicContact CG-CE2 4.19Å; L23-F34 HydrophobicContact CB-CD2 4.06Å; L23-F34 HydrophobicContact CD1-CB 4.16Å; L23-F34 HydrophobicContact CD1-CD2 4.38Å; Y29-F34 HydrophobicContact CD1-CE1 4.15Å; Y29-F34 AromaticContact CD1-CE2 3.79Å; Y29-F34 HydrophobicContact CD1-CE2 3.79Å; Y29-F34 AromaticContact CD1-CZ 3.59Å; Y29-F34 HydrophobicContact CD1-CZ 3.59Å; Y29-F34 HydrophobicContact CE1-CE2 4.29Å; Y29-F34 HydrophobicContact CE1-CZ 4.23Å; T31-F34 WeakPolarHBondContact O-CB 3.32Å; T31-F34 PolarHBondContact O-N 2.7Å; T31-F34 VanDerWaalsContact O-N 3.15Å; T31-F34 WeakPolarHBondContact OG1-CB 3.43Å; T31-F34 PolarHBondContact OG1-N 3.37Å; E32-F34 PolarHBondContact O-N 2.89Å; F34-L38 HydrophobicContact CD1-CD1 3.95Å; F34-L38 HydrophobicContact CD1-CG 4.23Å; F34-L38 HydrophobicContact CE1-CD1 3.58Å; F34-L38 HydrophobicContact CE1-CD2 4.4Å; F34-L38 HydrophobicContact CE1-CG 3.97Å; F34-L38 HydrophobicContact CZ-CD1 4.48Å; F34-L38 WeakPolarHBondContact O-CG 2.95Å; F34-L38 PolarHBondContact O-N 2.71Å; F34-L38 VanDerWaalsContact O-N 3.09Å; F34-V70 HydrophobicContact CZ-CG1 4.18Å; F34-L74 HydrophobicContact CE1-CD1 4.4Å; F34-L74 HydrophobicContact CE1-CD2 4.25Å; F34-L74 HydrophobicContact CZ-CD1 4.34Å
35D89.3Confident82.6Confident37 Ų3775.9 Ų75.920%0.19838%0.377CS..Hα-helixtrans-69.6-40.9176.2-73.8-39000112.3T31 E32 D33 L38 R39 K97T31-D35 PolarHBondContact O-N 3.37Å; E32-D35 WeakPolarHBondContact O-CA 3.33Å; E32-D35 WeakPolarHBondContact O-CB 3.45Å; E32-D35 PolarHBondContact O-N 2.9Å; D33-D35 VanDerWaalsContact C-N 3.35Å; D35-L38 PolarHBondContact O-N 3.39Å; D35-R39 WeakPolarHBondContact O-CG 3.02Å; D35-R39 PolarHBondContact O-N 3.5Å; D35-R39 VanDerWaalsContact O-N 3.15Å; D35-K97 WeakPolarHBondContact OD1-CE 3.36Å; D35-K97 WeakPolarHBondContact OD1-CG 3.29Å; D35-K97 IonicContact OD1-NZ 3.88Å; D35-K97 PolarHBondContact OD1-NZ 3.31Å; D35-K97 IonicContact OD2-NZ 2.7Å; D35-K97 PolarHBondContact OD2-NZ 2.97Å
36E89.7Confident82Confident128 Ų12874 Ų7460%0.59837%0.372SS*.Hα-helixtrans-62.5-44.1175.6-71.1-173.4174.100111.2E32 D33 L38 R39 S40E32-E36 PolarHBondContact O-N 2.6Å; D33-E36 PolarHBondContact O-N 3.37Å; E36-L38 PolarHBondContact O-N 3.33Å; E36-R39 CarbonylContact O-C 3.42Å; E36-R39 PolarHBondContact O-N 2.95Å; E36-R39 VanDerWaalsContact O-N 3.16Å; E36-S40 WeakPolarHBondContact O-CB 3.27Å; E36-S40 PolarHBondContact O-N 3.12Å
37L90.4Very high81.5Confident12 Ų1274.6 Ų74.66%0.06337%0.374CS..Hα-helixtrans-65-37176.5-72.3165.9000112.7D16 E19 L20 L23 D33 R39 S40 F41D16-L37 HydrophobicContact CB-CD2 3.7Å; E19-L37 HydrophobicContact CB-CD1 4.02Å; E19-L37 HydrophobicContact CB-CD2 4.45Å; E19-L37 HydrophobicContact CG-CD1 3.86Å; L20-L37 HydrophobicContact CB-CD1 4.36Å; L20-L37 HydrophobicContact CD1-CB 4Å; L23-L37 HydrophobicContact CD1-CD1 3.66Å; D33-L37 WeakPolarHBondContact O-CB 3.32Å; D33-L37 WeakPolarHBondContact O-CD1 3.49Å; D33-L37 VanDerWaalsContact O-CG 3.23Å; D33-L37 WeakPolarHBondContact O-CG 3.37Å; D33-L37 PolarHBondContact O-N 3.46Å; L37-R39 VanDerWaalsContact C-N 3.26Å; L37-R39 PolarHBondContact O-N 2.64Å; L37-S40 PolarHBondContact O-N 2.98Å; L37-S40 PolarHBondContact O-OG 3.37Å; L37-S40 VanDerWaalsContact O-OG 3.12Å; L37-F41 WeakPolarHBondContact O-CD2 3.4Å; L37-F41 WeakPolarHBondContact O-CE2 3.38Å
38L85Confident81.3Confident7 Ų774 Ų744%0.03737%0.371CS..Hα-helixtrans-63.1-36174-75.3-177.2000112L20 F34 D35 E36 K97 D100 F101L20-L38 HydrophobicContact CD1-CD2 4.07Å; L20-L38 HydrophobicContact CD1-CG 4.36Å; F34-L38 HydrophobicContact CD1-CD1 3.95Å; F34-L38 HydrophobicContact CD1-CG 4.23Å; F34-L38 HydrophobicContact CE1-CD1 3.58Å; F34-L38 HydrophobicContact CE1-CD2 4.4Å; F34-L38 HydrophobicContact CE1-CG 3.97Å; F34-L38 HydrophobicContact CZ-CD1 4.48Å; F34-L38 WeakPolarHBondContact O-CG 2.95Å; F34-L38 PolarHBondContact O-N 2.71Å; F34-L38 VanDerWaalsContact O-N 3.09Å; D35-L38 PolarHBondContact O-N 3.39Å; E36-L38 PolarHBondContact O-N 3.33Å; L38-K97 HydrophobicContact CD1-CB 4.08Å; L38-K97 HydrophobicContact CD1-CG 4.33Å; L38-D100 HydrophobicContact CB-CB 4.35Å; L38-D100 HydrophobicContact CD1-CB 4.34Å; L38-F101 HydrophobicContact CD2-CB 3.97Å; L38-F101 HydrophobicContact CD2-CD2 3.36Å; L38-F101 HydrophobicContact CD2-CE2 4.2Å; L38-F101 HydrophobicContact CD2-CG 4.03Å
39R79Confident81Confident142 Ų14269.9 Ų69.954%0.53635%0.353SS..Hα-helixtrans-83.9-24.1179.9-66.2175.6-171.71656.1113.5D35 E36 L37 F41 L42D35-R39 WeakPolarHBondContact O-CG 3.02Å; D35-R39 PolarHBondContact O-N 3.5Å; D35-R39 VanDerWaalsContact O-N 3.15Å; E36-R39 CarbonylContact O-C 3.42Å; E36-R39 PolarHBondContact O-N 2.95Å; E36-R39 VanDerWaalsContact O-N 3.16Å; L37-R39 VanDerWaalsContact C-N 3.26Å; L37-R39 PolarHBondContact O-N 2.64Å; R39-F41 PolarHBondContact O-N 2.74Å; R39-L42 WeakPolarHBondContact O-CB 2.97Å; R39-L42 WeakPolarHBondContact O-CD1 3.5Å; R39-L42 WeakPolarHBondContact O-CG 3.36Å; R39-L42 PolarHBondContact O-N 3.28Å; R39-L42 VanDerWaalsContact O-N 3.12Å
40S77.1Confident81Confident58 Ų5871 Ų7141%0.40636%0.357SS..Hα-helixtrans-64.6-24.4-177.974.50000112.5D16 E36 L37 L42D16-S40 PolarHBondContact OD2-OG 3.27Å; E36-S40 WeakPolarHBondContact O-CB 3.27Å; E36-S40 PolarHBondContact O-N 3.12Å; L37-S40 PolarHBondContact O-N 2.98Å; L37-S40 PolarHBondContact O-OG 3.37Å; L37-S40 VanDerWaalsContact O-OG 3.12Å; S40-L42 PolarHBondContact O-N 3.15Å
41F69.8Low81Confident11 Ų1166.6 Ų66.65%0.04833%0.333CS..THydrogen-bonded Turntrans-85.617.1176.4-57.8-68.2000114.7D16 I17 L37 R39 F104 Y108D16-F41 HydrophobicContact CB-CE1 3.94Å; D16-F41 HydrophobicContact CB-CE2 4.36Å; D16-F41 HydrophobicContact CB-CZ 3.46Å; D16-F41 VanDerWaalsContact CB-CZ 3.46Å; I17-F41 HydrophobicContact CB-CZ 4.4Å; I17-F41 HydrophobicContact CD1-CE1 4.13Å; I17-F41 HydrophobicContact CD1-CZ 4.43Å; I17-F41 HydrophobicContact CG1-CE1 3.64Å; I17-F41 HydrophobicContact CG1-CE2 4.38Å; I17-F41 HydrophobicContact CG1-CZ 3.46Å; I17-F41 VanDerWaalsContact CG1-CZ 3.46Å; L37-F41 WeakPolarHBondContact O-CD2 3.4Å; L37-F41 WeakPolarHBondContact O-CE2 3.38Å; R39-F41 PolarHBondContact O-N 2.74Å; F41-F104 HydrophobicContact CB-CD2 3.3Å; F41-F104 HydrophobicContact CB-CE2 3.54Å; F41-F104 HydrophobicContact CB-CG 4.5Å; F41-F104 AromaticContact CD1-CE2 3.92Å; F41-F104 HydrophobicContact CD1-CE2 3.92Å; F41-F104 AromaticContact CD2-CD2 3.79Å; F41-F104 HydrophobicContact CD2-CD2 3.79Å; F41-F104 AromaticContact CD2-CE2 3.53Å; F41-F104 HydrophobicContact CD2-CE2 3.53Å; F41-F104 HydrophobicContact CD2-CZ 4.37Å; F41-F104 HydrophobicContact CE2-CE2 4.22Å; F41-F104 AromaticContact CG-CD2 3.65Å; F41-F104 HydrophobicContact CG-CD2 3.65Å; F41-F104 AromaticContact CG-CE2 3.38Å; F41-F104 HydrophobicContact CG-CE2 3.38Å; F41-F104 HydrophobicContact CG-CZ 4.49Å; F41-Y108 HydrophobicContact CB-CE2 4.5Å
42L60.4Low81Confident108 Ų10865.7 Ų65.757%0.56533%0.326SS*.SBendtrans-54.6142.7167.2-80.1165.9000110.2R39 S40 S44R39-L42 WeakPolarHBondContact O-CB 2.97Å; R39-L42 WeakPolarHBondContact O-CD1 3.5Å; R39-L42 WeakPolarHBondContact O-CG 3.36Å; R39-L42 PolarHBondContact O-N 3.28Å; R39-L42 VanDerWaalsContact O-N 3.12Å; S40-L42 PolarHBondContact O-N 3.15Å; L42-S44 PolarHBondContact O-N 2.94Å; L42-S44 VanDerWaalsContact O-N 3.09Å
43P58.5Low81.1Confident54 Ų5458.4 Ų58.435%0.35129%0.292SS..PPolyproline II helixtrans-64.5116.6-161.423.2-31.3000111.3H45P43-H45 PolarHBondContact O-N 3.41Å
44S60.1Low81.1Confident35 Ų3554.4 Ų54.425%0.24527%0.271CS..PPolyproline II helixtrans-59.7139.8157.977.40000108.2L42 L46 Y49 R50L42-S44 PolarHBondContact O-N 2.94Å; L42-S44 VanDerWaalsContact O-N 3.09Å; S44-L46 PolarHBondContact O-N 3.41Å; S44-Y49 WeakPolarHBondContact OG-CD1 3.47Å; S44-R50 WeakPolarHBondContact O-CD 3.4Å
45H61.7Low81.1Confident191 Ų19154.5 Ų54.588%0.88427%0.271SS*.SBendtrans-64-5176.6-61.5-70000114.1P43 T47P43-H45 PolarHBondContact O-N 3.41Å; H45-T47 PolarHBondContact O-N 3.33Å
46L78.9Confident81.2Confident86 Ų8653.1 Ų53.145%0.4526%0.264SS..  trans-90.697.9-177.6-72.3156.6000111.5M1 S44 K48 Y49 R50M1-L46 HydrophobicContact SD-CD1 3.27Å; M1-L46 WeakPolarHBondContact SD-CD1 3.37Å; S44-L46 PolarHBondContact O-N 3.41Å; L46-K48 VanDerWaalsContact C-N 3.27Å; L46-K48 PolarHBondContact O-N 2.99Å; L46-Y49 WeakPolarHBondContact O-CB 3.33Å; L46-Y49 PolarHBondContact O-N 3.39Å; L46-R50 PolarHBondContact O-N 3.45Å; L46-R50 VanDerWaalsContact O-N 3.12Å
47T82.4Confident81.3Confident80 Ų8047.4 Ų47.449%0.49124%0.237SC..Hα-helixtrans-50.2-45.7174.7-53.60000112.2H45 Y49 R50 T51 V111H45-T47 PolarHBondContact O-N 3.33Å; T47-Y49 VanDerWaalsContact C-N 3.32Å; T47-Y49 PolarHBondContact O-N 3.01Å; T47-R50 PolarHBondContact O-N 2.97Å; T47-T51 PolarHBondContact O-N 2.98Å; T47-T51 PolarHBondContact O-OG1 2.7Å; T47-V111 HydrophobicContact CG2-CB 4.39Å; T47-V111 HydrophobicContact CG2-CG1 3.95Å
48K85.3Confident81.4Confident116 Ų11646.9 Ų46.950%0.50423%0.234SC..Hα-helixtrans-59.4-39.2179.1-69.9-163.4175.8-1520113.3L46 K52 E318 V319L46-K48 VanDerWaalsContact C-N 3.27Å; L46-K48 PolarHBondContact O-N 2.99Å; K48-K52 WeakPolarHBondContact O-CB 3.41Å; K48-K52 PolarHBondContact O-N 2.93Å; K48-K52 VanDerWaalsContact O-N 3.07Å; K48-E318 IonicContact NZ-OE2 2.77Å; K48-E318 PolarHBondContact NZ-OE2 3.26Å; K48-V319 HydrophobicContact CB-CG1 4.43Å
49Y87.1Confident81.7Confident26 Ų2647.1 Ų47.110%0.10224%0.237CC..Hα-helixtrans-65.2-50.2176171.1-101.7000110.8F6 L9 L10 A13 S44 L46 T47 T51 K52 V53F6-Y49 HydrophobicContact CD2-CD2 4.31Å; F6-Y49 HydrophobicContact CE2-CD2 4.03Å; F6-Y49 HydrophobicContact CE2-CG 4.37Å; L9-Y49 HydrophobicContact CB-CD2 4.16Å; L9-Y49 HydrophobicContact CB-CE2 3.47Å; L9-Y49 VanDerWaalsContact CB-CE2 3.47Å; L9-Y49 HydrophobicContact CD1-CE2 4.41Å; L9-Y49 PolarHBondContact O-OH 3.47Å; L9-Y49 VanDerWaalsContact O-OH 3.1Å; L10-Y49 HydrophobicContact CD2-CD2 4.17Å; L10-Y49 HydrophobicContact CD2-CE2 4.01Å; L10-Y49 HydrophobicContact CG-CD2 4.34Å; L10-Y49 HydrophobicContact CG-CE2 4.13Å; A13-Y49 WeakPolarHBondContact CB-OH 3.34Å; S44-Y49 WeakPolarHBondContact OG-CD1 3.47Å; L46-Y49 WeakPolarHBondContact O-CB 3.33Å; L46-Y49 PolarHBondContact O-N 3.39Å; T47-Y49 VanDerWaalsContact C-N 3.32Å; T47-Y49 PolarHBondContact O-N 3.01Å; Y49-T51 VanDerWaalsContact C-N 3.35Å; Y49-T51 PolarHBondContact O-N 2.97Å; Y49-K52 PolarHBondContact O-N 3.07Å; Y49-K52 VanDerWaalsContact O-N 3.1Å; Y49-V53 HydrophobicContact CD1-CG2 4.34Å; Y49-V53 HydrophobicContact CD2-CG2 4.3Å; Y49-V53 HydrophobicContact CE1-CG2 3.95Å; Y49-V53 HydrophobicContact CE2-CG2 3.84Å; Y49-V53 WeakPolarHBondContact O-CG2 3.19Å; Y49-V53 PolarHBondContact O-N 2.97Å
50R89.3Confident82.3Confident33 Ų3343 Ų4313%0.12522%0.223CC..Hα-helixtrans-61.7-41.8180-68.4170.754.1-168.8-0.4112S44 L46 T47 K52 V53 A54 N107 Y108 T110 V111S44-R50 WeakPolarHBondContact O-CD 3.4Å; L46-R50 PolarHBondContact O-N 3.45Å; L46-R50 VanDerWaalsContact O-N 3.12Å; T47-R50 PolarHBondContact O-N 2.97Å; R50-K52 VanDerWaalsContact C-N 3.32Å; R50-K52 PolarHBondContact O-N 3.37Å; R50-V53 PolarHBondContact O-N 3.26Å; R50-A54 WeakPolarHBondContact O-CB 3.43Å; R50-A54 PolarHBondContact O-N 3.38Å; R50-N107 PolarHBondContact NH2-O 3.3Å; R50-Y108 HydrophobicContact CB-CD1 4.47Å; R50-Y108 HydrophobicContact CB-CE1 4.29Å; R50-Y108 WeakPolarHBondContact O-CD1 3.42Å; R50-T110 PolarHBondContact NH2-OG1 3.01Å; R50-V111 HydrophobicContact CB-CG1 4.45Å; R50-V111 HydrophobicContact CB-CG2 3.76Å
51T90.4Very high82.9Confident1 Ų142.3 Ų42.31%0.00622%0.216CC..Hα-helixtrans-59.9-44.1174.2-57.40000110.6T47 Y49 A54 V55 V111 I315 E316 V319T47-T51 PolarHBondContact O-N 2.98Å; T47-T51 PolarHBondContact O-OG1 2.7Å; Y49-T51 VanDerWaalsContact C-N 3.35Å; Y49-T51 PolarHBondContact O-N 2.97Å; T51-A54 WeakPolarHBondContact O-CB 3.3Å; T51-A54 PolarHBondContact O-N 2.81Å; T51-V55 HydrophobicContact CG2-CG2 4.3Å; T51-V55 WeakPolarHBondContact O-CB 3.23Å; T51-V55 VanDerWaalsContact O-CG2 3.28Å; T51-V55 WeakPolarHBondContact O-CG2 3.29Å; T51-V55 PolarHBondContact O-N 3.2Å; T51-V111 PolarHBondContact OG1-O 2.75Å; T51-V111 VanDerWaalsContact OG1-O 3.06Å; T51-I315 HydrophobicContact CG2-CG2 4.31Å; T51-E316 HydrophobicContact CG2-CB 4.34Å; T51-E316 HydrophobicContact CG2-CG 3.72Å; T51-V319 HydrophobicContact CG2-CG2 3.84Å
52K91.6Very high83.7Confident18 Ų1845.5 Ų45.58%0.07824%0.24CC..Hα-helixtrans-65.6-42178.6-168170.4172.265.70113F6 L10 K48 Y49 R50 A54 V55 D56 V319 T321F6-K52 HydrophobicContact CD1-CD 4.38Å; F6-K52 HydrophobicContact CE1-CD 3.28Å; F6-K52 HydrophobicContact CZ-CB 4.18Å; F6-K52 HydrophobicContact CZ-CD 3.66Å; L10-K52 HydrophobicContact CD1-CD 3.55Å; L10-K52 HydrophobicContact CD1-CG 4.36Å; L10-K52 HydrophobicContact CD2-CB 4.15Å; L10-K52 HydrophobicContact CD2-CD 3.95Å; L10-K52 HydrophobicContact CD2-CG 3.89Å; L10-K52 HydrophobicContact CG-CD 4.36Å; K48-K52 WeakPolarHBondContact O-CB 3.41Å; K48-K52 PolarHBondContact O-N 2.93Å; K48-K52 VanDerWaalsContact O-N 3.07Å; Y49-K52 PolarHBondContact O-N 3.07Å; Y49-K52 VanDerWaalsContact O-N 3.1Å; R50-K52 VanDerWaalsContact C-N 3.32Å; R50-K52 PolarHBondContact O-N 3.37Å; K52-A54 VanDerWaalsContact C-N 3.34Å; K52-A54 PolarHBondContact O-N 3.42Å; K52-V55 PolarHBondContact O-N 3.24Å; K52-D56 HydrophobicContact CG-CB 4.44Å; K52-D56 IonicContact NZ-OD2 2.6Å; K52-D56 PolarHBondContact NZ-OD2 3.36Å; K52-D56 WeakPolarHBondContact O-CB 3.38Å; K52-D56 PolarHBondContact O-N 2.86Å; K52-V319 HydrophobicContact CB-CB 3.97Å; K52-V319 HydrophobicContact CB-CG2 3.92Å; K52-V319 HydrophobicContact CD-CB 4.34Å; K52-V319 HydrophobicContact CG-CB 4.23Å; K52-V319 HydrophobicContact CG-CG2 4.39Å; K52-V319 PolarHBondContact NZ-O 3.43Å; K52-T321 PolarHBondContact NZ-OG1 3.43Å
53V91.5Very high85.3Confident0 Ų040.8 Ų40.80%022%0.215CC..Hα-helixtrans-60.4-44.5174171.60000110.7L10 A13 I17 Y49 R50 V55 I57 L58 Y108L10-V53 HydrophobicContact CD2-CG2 3.83Å; A13-V53 HydrophobicContact CB-CG1 4.49Å; A13-V53 HydrophobicContact CB-CG2 4.07Å; I17-V53 HydrophobicContact CD1-CG1 4.24Å; Y49-V53 HydrophobicContact CD1-CG2 4.34Å; Y49-V53 HydrophobicContact CD2-CG2 4.3Å; Y49-V53 HydrophobicContact CE1-CG2 3.95Å; Y49-V53 HydrophobicContact CE2-CG2 3.84Å; Y49-V53 WeakPolarHBondContact O-CG2 3.19Å; Y49-V53 PolarHBondContact O-N 2.97Å; R50-V53 PolarHBondContact O-N 3.26Å; V53-V55 VanDerWaalsContact C-N 3.34Å; V53-V55 PolarHBondContact O-N 3.02Å; V53-I57 HydrophobicContact CG1-CD1 4.33Å; V53-I57 HydrophobicContact CG2-CD1 4.32Å; V53-I57 WeakPolarHBondContact O-CA 3.29Å; V53-I57 WeakPolarHBondContact O-CB 3.28Å; V53-I57 PolarHBondContact O-N 2.9Å; V53-I57 VanDerWaalsContact O-N 3.1Å; V53-L58 HydrophobicContact CG1-CD1 4.32Å; V53-L58 HydrophobicContact CG1-CG 4.22Å; V53-L58 PolarHBondContact O-N 3.38Å; V53-Y108 HydrophobicContact CB-CE1 3.74Å; V53-Y108 HydrophobicContact CG1-CD1 4.33Å; V53-Y108 HydrophobicContact CG1-CE1 3.49Å; V53-Y108 VanDerWaalsContact CG1-CE1 3.49Å
54A92.7Very high86.9Confident0 Ų038.3 Ų38.30%020%0.199CC..Iπ-helixtrans-59.1-45.3177.600000112.3R50 T51 K52 S59 Y108 S112 F115R50-A54 WeakPolarHBondContact O-CB 3.43Å; R50-A54 PolarHBondContact O-N 3.38Å; T51-A54 WeakPolarHBondContact O-CB 3.3Å; T51-A54 PolarHBondContact O-N 2.81Å; K52-A54 VanDerWaalsContact C-N 3.34Å; K52-A54 PolarHBondContact O-N 3.42Å; A54-S59 VanDerWaalsContact O-CB 3.29Å; A54-S59 WeakPolarHBondContact O-CB 3.45Å; A54-S59 PolarHBondContact O-N 3.45Å; A54-S59 PolarHBondContact O-OG 3.25Å; A54-Y108 HydrophobicContact CB-CD1 3.97Å; A54-Y108 HydrophobicContact CB-CG 4.45Å; A54-S112 VanDerWaalsContact CB-CB 3.44Å; A54-F115 HydrophobicContact CB-CB 4.17Å
55V92.2Very high88.3Confident2 Ų238.7 Ų38.71%0.01220%0.2CC..Iπ-helixtrans-80.6-50-173.5172.80000112.7T51 K52 V53 S59 E316 R320T51-V55 HydrophobicContact CG2-CG2 4.3Å; T51-V55 WeakPolarHBondContact O-CB 3.23Å; T51-V55 VanDerWaalsContact O-CG2 3.28Å; T51-V55 WeakPolarHBondContact O-CG2 3.29Å; T51-V55 PolarHBondContact O-N 3.2Å; K52-V55 PolarHBondContact O-N 3.24Å; V53-V55 VanDerWaalsContact C-N 3.34Å; V53-V55 PolarHBondContact O-N 3.02Å; V55-S59 WeakPolarHBondContact O-CB 3.45Å; V55-E316 HydrophobicContact CG2-CB 3.84Å; V55-E316 HydrophobicContact CG2-CG 3.61Å; V55-R320 HydrophobicContact CG1-CB 3.96Å; V55-R320 HydrophobicContact CG1-CG 3.77Å
56D91.1Very high89.8Confident7 Ų731.5 Ų31.54%0.03717%0.168CC..Iπ-helixtrans-91.3-13.5-171.2-74-19.8000113.6K52 K60 T321 F322K52-D56 HydrophobicContact CG-CB 4.44Å; K52-D56 IonicContact NZ-OD2 2.6Å; K52-D56 PolarHBondContact NZ-OD2 3.36Å; K52-D56 WeakPolarHBondContact O-CB 3.38Å; K52-D56 PolarHBondContact O-N 2.86Å; D56-K60 WeakPolarHBondContact O-CD 3.43Å; D56-K60 WeakPolarHBondContact O-CE 3.32Å; D56-K60 PolarHBondContact O-NZ 2.95Å; D56-T321 PolarHBondContact OD1-N 2.63Å; D56-T321 PolarHBondContact OD2-N 3.05Å; D56-T321 PolarHBondContact OD2-OG1 3.41Å; D56-F322 HydrophobicContact CB-CB 4.3Å; D56-F322 WeakPolarHBondContact OD1-CB 3.24Å; D56-F322 PolarHBondContact OD1-N 3.48Å
57I92.3Very high90.5Very high9 Ų927.5 Ų27.55%0.04615%0.147CC..Iπ-helixtrans-120.5-64.6-178.9-49.2174.3000110.9A13 I17 V53 S59 K60 V63A13-I57 HydrophobicContact CB-CD1 4.21Å; I17-I57 HydrophobicContact CB-CG2 4.46Å; I17-I57 HydrophobicContact CD1-CB 4.21Å; I17-I57 HydrophobicContact CD1-CG2 3.47Å; I17-I57 VanDerWaalsContact CD1-CG2 3.47Å; I17-I57 HydrophobicContact CG2-CG2 4.41Å; V53-I57 HydrophobicContact CG1-CD1 4.33Å; V53-I57 HydrophobicContact CG2-CD1 4.32Å; V53-I57 WeakPolarHBondContact O-CA 3.29Å; V53-I57 WeakPolarHBondContact O-CB 3.28Å; V53-I57 PolarHBondContact O-N 2.9Å; V53-I57 VanDerWaalsContact O-N 3.1Å; I57-S59 VanDerWaalsContact C-N 3.29Å; I57-S59 PolarHBondContact O-N 3.38Å; I57-K60 WeakPolarHBondContact O-CB 3.34Å; I57-K60 PolarHBondContact O-N 2.98Å; I57-V63 WeakPolarHBondContact O-CB 3.41Å
58L93.3Very high91.1Very high0 Ų023.9 Ų23.90%013%0.125CC..Iπ-helixtrans-66.9-31.9-172.7-60178.2000112.9I17 V53 K60 F64 L67 F104 Y108 F115I17-L58 HydrophobicContact CD1-CD2 3.42Å; I17-L58 VanDerWaalsContact CD1-CD2 3.42Å; I17-L58 HydrophobicContact CD1-CG 4.2Å; I17-L58 HydrophobicContact CG1-CD2 4.06Å; I17-L58 HydrophobicContact CG2-CD2 4.48Å; V53-L58 HydrophobicContact CG1-CD1 4.32Å; V53-L58 HydrophobicContact CG1-CG 4.22Å; V53-L58 PolarHBondContact O-N 3.38Å; L58-K60 VanDerWaalsContact C-N 3.33Å; L58-F64 WeakPolarHBondContact O-CB 3.19Å; L58-L67 HydrophobicContact CB-CD1 4.28Å; L58-L67 HydrophobicContact CD2-CD1 3.63Å; L58-F104 HydrophobicContact CD1-CZ 4.2Å; L58-F104 HydrophobicContact CD2-CZ 3.76Å; L58-Y108 HydrophobicContact CD1-CD1 3.74Å; L58-Y108 HydrophobicContact CD1-CD2 3.36Å; L58-Y108 HydrophobicContact CD1-CE1 4.11Å; L58-Y108 HydrophobicContact CD1-CE2 3.82Å; L58-Y108 HydrophobicContact CD1-CG 3.32Å; L58-F115 HydrophobicContact CB-CD2 3.91Å; L58-F115 HydrophobicContact CB-CE2 3.67Å; L58-F115 HydrophobicContact CB-CZ 4.36Å; L58-F115 HydrophobicContact CD1-CE2 4.41Å; L58-F115 HydrophobicContact CD1-CZ 4.31Å
59S92Very high91.4Very high13 Ų1320.2 Ų20.29%0.09111%0.114CC..THydrogen-bonded Turntrans-82.3-5.5178.8-61.40000113.9A54 V55 I57 T61 K118A54-S59 VanDerWaalsContact O-CB 3.29Å; A54-S59 WeakPolarHBondContact O-CB 3.45Å; A54-S59 PolarHBondContact O-N 3.45Å; A54-S59 PolarHBondContact O-OG 3.25Å; V55-S59 WeakPolarHBondContact O-CB 3.45Å; I57-S59 VanDerWaalsContact C-N 3.29Å; I57-S59 PolarHBondContact O-N 3.38Å; S59-T61 PolarHBondContact O-N 3.41Å; S59-K118 PolarHBondContact O-NZ 2.98Å
60K90.5Very high91.8Very high56 Ų5619 Ų1924%0.24311%0.109CC..SBendtrans-60132.1170.5-76.6176.8167.2142.90109.7D56 I57 L58 S62 V63 F64 F322D56-K60 WeakPolarHBondContact O-CD 3.43Å; D56-K60 WeakPolarHBondContact O-CE 3.32Å; D56-K60 PolarHBondContact O-NZ 2.95Å; I57-K60 WeakPolarHBondContact O-CB 3.34Å; I57-K60 PolarHBondContact O-N 2.98Å; L58-K60 VanDerWaalsContact C-N 3.33Å; K60-S62 VanDerWaalsContact C-N 3.3Å; K60-S62 PolarHBondContact O-N 3.4Å; K60-V63 HydrophobicContact CB-CB 4.18Å; K60-V63 HydrophobicContact CB-CG2 4.06Å; K60-V63 PolarHBondContact O-N 3.03Å; K60-V63 VanDerWaalsContact O-N 3.07Å; K60-F64 WeakPolarHBondContact O-CB 3.47Å; K60-F64 PolarHBondContact O-N 2.85Å; K60-F322 HydrophobicContact CD-CE1 4.31Å; K60-F322 HydrophobicContact CD-CZ 4.44Å; K60-F322 HydrophobicContact CG-CD1 3.89Å; K60-F322 HydrophobicContact CG-CE1 3.53Å; K60-F322 HydrophobicContact CG-CZ 4.05Å
61T88.8Confident92.1Very high42 Ų4217.5 Ų17.526%0.25810%0.103SC..Hα-helixtrans-58.4-41.6-171.6-64.20000112.9S59 V63 F64 V65 K118 E324S59-T61 PolarHBondContact O-N 3.41Å; T61-V63 PolarHBondContact O-N 2.82Å; T61-F64 PolarHBondContact O-N 3.47Å; T61-V65 HydrophobicContact CG2-CG2 4.38Å; T61-V65 VanDerWaalsContact O-CG2 3.22Å; T61-V65 WeakPolarHBondContact O-CG2 3.28Å; T61-V65 PolarHBondContact O-N 3.48Å; T61-K118 PolarHBondContact OG1-NZ 3.09Å; T61-E324 PolarHBondContact N-OE2 2.91Å; T61-E324 VanDerWaalsContact N-OE2 3.07Å; T61-E324 PolarHBondContact OG1-OE2 2.77Å
62S88.3Confident92.2Very high79 Ų7919.3 Ų19.355%0.55211%0.11SC*.Hα-helixtrans-61.9-41.7176.358.20000112.9K60 N66K60-S62 VanDerWaalsContact C-N 3.3Å; K60-S62 PolarHBondContact O-N 3.4Å; S62-N66 PolarHBondContact O-ND2 2.82Å
63V92.4Very high92.3Very high8 Ų820.1 Ų20.15%0.04811%0.114CC..Hα-helixtrans-68.7-52.4177.5173.90000109.9I17 I21 I57 K60 T61 V65 N66 L67I17-V63 HydrophobicContact CG2-CG1 3.57Å; I21-V63 HydrophobicContact CD1-CB 4.41Å; I21-V63 HydrophobicContact CD1-CG1 4.07Å; I57-V63 WeakPolarHBondContact O-CB 3.41Å; K60-V63 HydrophobicContact CB-CB 4.18Å; K60-V63 HydrophobicContact CB-CG2 4.06Å; K60-V63 PolarHBondContact O-N 3.03Å; K60-V63 VanDerWaalsContact O-N 3.07Å; T61-V63 PolarHBondContact O-N 2.82Å; V63-V65 VanDerWaalsContact C-N 3.35Å; V63-V65 PolarHBondContact O-N 2.86Å; V63-N66 PolarHBondContact O-N 2.79Å; V63-L67 HydrophobicContact CG1-CD1 3.86Å; V63-L67 HydrophobicContact CG1-CG 4.18Å; V63-L67 WeakPolarHBondContact O-CG 3.41Å; V63-L67 PolarHBondContact O-N 3.12Å
64F93.3Very high92.4Very high2 Ų220.1 Ų20.11%0.00911%0.114CC..Hα-helixtrans-55.8-45.1-176.6-178.1-93.3000112.9L58 K60 T61 N66 L67 V68 F115 K118 L119 L332L58-F64 WeakPolarHBondContact O-CB 3.19Å; K60-F64 WeakPolarHBondContact O-CB 3.47Å; K60-F64 PolarHBondContact O-N 2.85Å; T61-F64 PolarHBondContact O-N 3.47Å; F64-N66 VanDerWaalsContact C-N 3.29Å; F64-N66 PolarHBondContact O-N 2.95Å; F64-L67 PolarHBondContact O-N 3.07Å; F64-V68 HydrophobicContact CD1-CG1 4.38Å; F64-V68 HydrophobicContact CE1-CG1 3.77Å; F64-V68 HydrophobicContact CE2-CG1 4.14Å; F64-V68 HydrophobicContact CZ-CG1 3.61Å; F64-V68 PolarHBondContact O-N 3.47Å; F64-F115 HydrophobicContact CD2-CE2 4.15Å; F64-F115 HydrophobicContact CE2-CE2 4.33Å; F64-K118 HydrophobicContact CD1-CD 4.31Å; F64-K118 HydrophobicContact CD1-CG 4.09Å; F64-K118 HydrophobicContact CD2-CB 4.49Å; F64-K118 HydrophobicContact CD2-CD 4.04Å; F64-K118 HydrophobicContact CD2-CG 3.93Å; F64-K118 HydrophobicContact CE1-CG 3.94Å; F64-K118 HydrophobicContact CE2-CB 4.06Å; F64-K118 HydrophobicContact CE2-CD 4.39Å; F64-K118 HydrophobicContact CE2-CG 3.77Å; F64-K118 HydrophobicContact CG-CD 4Å; F64-K118 HydrophobicContact CG-CG 4.09Å; F64-K118 VanDerWaalsContact CZ-C 3.45Å; F64-K118 HydrophobicContact CZ-CB 4.3Å; F64-K118 HydrophobicContact CZ-CG 3.79Å; F64-K118 WeakPolarHBondContact CZ-O 3.45Å; F64-L119 HydrophobicContact CE2-CB 4.23Å; F64-L119 HydrophobicContact CE2-CD1 4.05Å; F64-L119 HydrophobicContact CZ-CD1 4.25Å; F64-L332 HydrophobicContact CD1-CD2 4.12Å; F64-L332 HydrophobicContact CE1-CD1 3.94Å; F64-L332 HydrophobicContact CE1-CD2 4.13Å
65V90.1Very high92.4Very high44 Ų4420.1 Ų20.127%0.26711%0.114SC..Hα-helixtrans-61.5-38.8178.6171.60000111.5T61 V63 V68 S69 P333T61-V65 HydrophobicContact CG2-CG2 4.38Å; T61-V65 VanDerWaalsContact O-CG2 3.22Å; T61-V65 WeakPolarHBondContact O-CG2 3.28Å; T61-V65 PolarHBondContact O-N 3.48Å; V63-V65 VanDerWaalsContact C-N 3.35Å; V63-V65 PolarHBondContact O-N 2.86Å; V65-V68 VanDerWaalsContact O-CG2 3.31Å; V65-V68 WeakPolarHBondContact O-CG2 3.38Å; V65-S69 WeakPolarHBondContact O-CB 3.47Å; V65-S69 PolarHBondContact O-N 3.21Å; V65-S69 VanDerWaalsContact O-N 3.16Å; V65-P333 HydrophobicContact CG1-CG 4.42Å; V65-P333 HydrophobicContact CG2-CG 3.63Å
66N93.1Very high92.4Very high39 Ų3923.7 Ų23.721%0.20913%0.128CC..Hα-helixtrans-70.1-39.6175.6-74.7-75.9000111.6I21 K25 S62 V63 F64 S69 V70I21-N66 HydrophobicContact CB-CB 4.38Å; I21-N66 HydrophobicContact CD1-CB 3.84Å; I21-N66 HydrophobicContact CG1-CB 3.78Å; I21-N66 HydrophobicContact CG2-CB 3.73Å; K25-N66 WeakPolarHBondContact CE-OD1 3.35Å; S62-N66 PolarHBondContact O-ND2 2.82Å; V63-N66 PolarHBondContact O-N 2.79Å; F64-N66 VanDerWaalsContact C-N 3.29Å; F64-N66 PolarHBondContact O-N 2.95Å; N66-S69 WeakPolarHBondContact O-CB 3.17Å; N66-S69 PolarHBondContact O-N 2.72Å; N66-V70 WeakPolarHBondContact O-CG2 3.15Å; N66-V70 PolarHBondContact O-N 3.41Å
67L94Very high92.4Very high3 Ų325.8 Ų25.82%0.01614%0.138CC..Hα-helixtrans-60.6-47.4177.4-67.4174.1000112.3L58 V63 F64 S69 V70 Y71 F101 F104L58-L67 HydrophobicContact CB-CD1 4.28Å; L58-L67 HydrophobicContact CD2-CD1 3.63Å; V63-L67 HydrophobicContact CG1-CD1 3.86Å; V63-L67 HydrophobicContact CG1-CG 4.18Å; V63-L67 WeakPolarHBondContact O-CG 3.41Å; V63-L67 PolarHBondContact O-N 3.12Å; F64-L67 PolarHBondContact O-N 3.07Å; L67-S69 VanDerWaalsContact C-N 3.26Å; L67-S69 PolarHBondContact O-N 2.7Å; L67-V70 WeakPolarHBondContact O-CB 3.09Å; L67-V70 PolarHBondContact O-N 3.26Å; L67-Y71 PolarHBondContact O-N 2.98Å; L67-F101 HydrophobicContact CB-CZ 4.43Å; L67-F101 HydrophobicContact CD2-CE2 4.26Å; L67-F101 HydrophobicContact CD2-CZ 3.93Å; L67-F104 HydrophobicContact CD2-CE1 4.27Å
68V93.9Very high92.4Very high4 Ų425.3 Ų25.32%0.02414%0.135CC..Hα-helixtrans-67.5-30177.6-59.80000111.9F64 V65 R72 L119 I124F64-V68 HydrophobicContact CD1-CG1 4.38Å; F64-V68 HydrophobicContact CE1-CG1 3.77Å; F64-V68 HydrophobicContact CE2-CG1 4.14Å; F64-V68 HydrophobicContact CZ-CG1 3.61Å; F64-V68 PolarHBondContact O-N 3.47Å; V65-V68 VanDerWaalsContact O-CG2 3.31Å; V65-V68 WeakPolarHBondContact O-CG2 3.38Å; V68-R72 PolarHBondContact O-N 3.28Å; V68-R72 VanDerWaalsContact O-N 3.11Å; V68-L119 HydrophobicContact CG1-CD1 3.97Å; V68-I124 HydrophobicContact CB-CB 4.42Å; V68-I124 HydrophobicContact CB-CG2 4.23Å; V68-I124 HydrophobicContact CG2-CB 4.31Å; V68-I124 HydrophobicContact CG2-CD1 4.17Å; V68-I124 HydrophobicContact CG2-CG2 4.31Å
69S92.3Very high92.2Very high38 Ų3825.4 Ų25.427%0.26614%0.136SC..Hα-helixtrans-66.9-46.2171.5-172.30000111.4V65 N66 L67 Y71 R72 E73V65-S69 WeakPolarHBondContact O-CB 3.47Å; V65-S69 PolarHBondContact O-N 3.21Å; V65-S69 VanDerWaalsContact O-N 3.16Å; N66-S69 WeakPolarHBondContact O-CB 3.17Å; N66-S69 PolarHBondContact O-N 2.72Å; L67-S69 VanDerWaalsContact C-N 3.26Å; L67-S69 PolarHBondContact O-N 2.7Å; S69-Y71 VanDerWaalsContact C-N 3.3Å; S69-Y71 PolarHBondContact O-N 3.47Å; S69-R72 PolarHBondContact O-N 3.2Å; S69-E73 VanDerWaalsContact O-CG 3.32Å; S69-E73 WeakPolarHBondContact O-CG 3.34Å; S69-E73 PolarHBondContact O-N 3.43Å
70V94.3Very high91.7Very high1 Ų126.9 Ų26.91%0.00615%0.145CC..Hα-helixtrans-55.1-48.5174.4172.80000110.1S24 Y29 F34 N66 L67 R72 E73 L74 F101S24-V70 WeakPolarHBondContact OG-CG2 3.35Å; Y29-V70 HydrophobicContact CE1-CG1 4.41Å; F34-V70 HydrophobicContact CZ-CG1 4.18Å; N66-V70 WeakPolarHBondContact O-CG2 3.15Å; N66-V70 PolarHBondContact O-N 3.41Å; L67-V70 WeakPolarHBondContact O-CB 3.09Å; L67-V70 PolarHBondContact O-N 3.26Å; V70-R72 VanDerWaalsContact C-N 3.31Å; V70-R72 PolarHBondContact O-N 2.88Å; V70-E73 PolarHBondContact O-N 3.5Å; V70-L74 HydrophobicContact CG1-CD1 3.87Å; V70-L74 HydrophobicContact CG1-CG 4.34Å; V70-L74 WeakPolarHBondContact O-CG 3.41Å; V70-L74 PolarHBondContact O-N 3.19Å; V70-F101 HydrophobicContact CB-CE1 4.03Å; V70-F101 HydrophobicContact CB-CZ 4.05Å; V70-F101 HydrophobicContact CG1-CD1 4.23Å; V70-F101 HydrophobicContact CG1-CE1 3.76Å; V70-F101 HydrophobicContact CG1-CE2 4.31Å; V70-F101 HydrophobicContact CG1-CZ 3.8Å
71Y95.5Very high91Very high1 Ų129.5 Ų29.50%0.00416%0.161CC..Hα-helixtrans-55.5-47.5179-167.4-86.7000111.4L67 S69 G75 L98 F101 Q102 L105 Y125 E128 V129 M152L67-Y71 PolarHBondContact O-N 2.98Å; S69-Y71 VanDerWaalsContact C-N 3.3Å; S69-Y71 PolarHBondContact O-N 3.47Å; Y71-G75 PolarHBondContact O-N 2.83Å; Y71-L98 HydrophobicContact CD2-CD1 4.27Å; Y71-L98 HydrophobicContact CE1-CD1 4.33Å; Y71-L98 HydrophobicContact CE2-CD1 3.96Å; Y71-F101 AromaticContact CD2-CD1 3.68Å; Y71-F101 HydrophobicContact CD2-CD1 3.68Å; Y71-F101 HydrophobicContact CD2-CE1 4.04Å; Y71-F101 HydrophobicContact CG-CD1 4.35Å; Y71-F101 HydrophobicContact CG-CE1 4.43Å; Y71-Q102 HydrophobicContact CE2-CB 4.37Å; Y71-Q102 VanDerWaalsContact CE2-OE1 3.22Å; Y71-Q102 VanDerWaalsContact CZ-OE1 3.26Å; Y71-Q102 PolarHBondContact OH-OE1 2.95Å; Y71-L105 HydrophobicContact CD2-CD1 3.5Å; Y71-L105 HydrophobicContact CE2-CD1 3.89Å; Y71-L105 HydrophobicContact CG-CD1 4.44Å; Y71-Y125 AromaticContact CD1-CD2 3.86Å; Y71-Y125 HydrophobicContact CD1-CD2 3.86Å; Y71-Y125 HydrophobicContact CD1-CE2 4.23Å; Y71-Y125 HydrophobicContact CD2-CD2 4.22Å; Y71-Y125 HydrophobicContact CD2-CE2 4.05Å; Y71-Y125 AromaticContact CE1-CD2 3.95Å; Y71-Y125 HydrophobicContact CE1-CD2 3.95Å; Y71-Y125 AromaticContact CE1-CE2 3.94Å; Y71-Y125 HydrophobicContact CE1-CE2 3.94Å; Y71-Y125 HydrophobicContact CE2-CD2 4.29Å; Y71-Y125 AromaticContact CE2-CE2 3.74Å; Y71-Y125 HydrophobicContact CE2-CE2 3.74Å; Y71-Y125 HydrophobicContact CG-CD2 4.01Å; Y71-Y125 HydrophobicContact CG-CE2 4.28Å; Y71-Y125 AromaticContact CZ-CE2 3.67Å; Y71-E128 HydrophobicContact CD1-CB 4.34Å; Y71-E128 HydrophobicContact CD1-CG 4.24Å; Y71-E128 HydrophobicContact CE1-CB 4.39Å; Y71-E128 HydrophobicContact CE1-CG 4.28Å; Y71-V129 HydrophobicContact CE1-CG2 3.95Å; Y71-M152 HydrophobicContact CE1-CE 4.49Å; Y71-M152 WeakPolarHBondContact OH-CE 3.34Å
72R93.5Very high89.7Confident39 Ų3932.2 Ų32.215%0.14718%0.182CC..Hα-helixtrans-62.3-45.4178.5-172.7-17067.8-159.9-4.5112.5V68 S69 V70 G75 R76 I124 E128V68-R72 PolarHBondContact O-N 3.28Å; V68-R72 VanDerWaalsContact O-N 3.11Å; S69-R72 PolarHBondContact O-N 3.2Å; V70-R72 VanDerWaalsContact C-N 3.31Å; V70-R72 PolarHBondContact O-N 2.88Å; R72-G75 PolarHBondContact O-N 3.26Å; R72-R76 WeakPolarHBondContact O-CG 3.17Å; R72-R76 PolarHBondContact O-N 3.34Å; R72-I124 HydrophobicContact CB-CG2 3.98Å; R72-I124 HydrophobicContact CG-CG2 4.44Å; R72-E128 HydrophobicContact CG-CG 4.44Å
73E92.9Very high88.2Confident36 Ų3631.1 Ų31.117%0.16817%0.166CC..Hα-helixtrans-65.3-44.7-179.5-62.1-65.6118.600111K27 S69 V70 G75 R76 M77K27-E73 IonicContact NZ-OE2 2.66Å; K27-E73 PolarHBondContact NZ-OE2 3.48Å; S69-E73 VanDerWaalsContact O-CG 3.32Å; S69-E73 WeakPolarHBondContact O-CG 3.34Å; S69-E73 PolarHBondContact O-N 3.43Å; V70-E73 PolarHBondContact O-N 3.5Å; E73-G75 VanDerWaalsContact C-N 3.33Å; E73-G75 PolarHBondContact O-N 2.92Å; E73-R76 PolarHBondContact O-N 2.86Å; E73-M77 HydrophobicContact CB-CE 4.47Å; E73-M77 WeakPolarHBondContact O-CG 3.42Å; E73-M77 PolarHBondContact O-N 3.02Å
74L94.2Very high86.3Confident0 Ų033.3 Ų33.30%018%0.182CC..Hα-helixtrans-58.6-44.5172.3-72175.2000111.5Y29 F34 V70 R76 M77 A78 W94 K97 L98 F101Y29-L74 HydrophobicContact CD1-CD2 4.12Å; F34-L74 HydrophobicContact CE1-CD1 4.4Å; F34-L74 HydrophobicContact CE1-CD2 4.25Å; F34-L74 HydrophobicContact CZ-CD1 4.34Å; V70-L74 HydrophobicContact CG1-CD1 3.87Å; V70-L74 HydrophobicContact CG1-CG 4.34Å; V70-L74 WeakPolarHBondContact O-CG 3.41Å; V70-L74 PolarHBondContact O-N 3.19Å; L74-R76 PolarHBondContact O-N 3.3Å; L74-M77 HydrophobicContact CD2-CE 3.89Å; L74-M77 PolarHBondContact O-N 3.26Å; L74-A78 VanDerWaalsContact O-CB 3.24Å; L74-A78 WeakPolarHBondContact O-CB 3.42Å; L74-A78 PolarHBondContact O-N 3.19Å; L74-W94 HydrophobicContact CD2-CE3 4.27Å; L74-K97 HydrophobicContact CD2-CB 4Å; L74-L98 HydrophobicContact CB-CB 4.44Å; L74-L98 HydrophobicContact CB-CD1 4.1Å; L74-F101 HydrophobicContact CD1-CB 3.96Å; L74-F101 HydrophobicContact CD1-CD1 4.04Å; L74-F101 HydrophobicContact CD1-CG 4.09Å
75G93.4Very high84.2Confident0 Ų038.5 Ų38.50%021%0.214CC..Hα-helixtrans-56.3-45.6175.200000113.4Y71 R72 E73 I79 E128 R131Y71-G75 PolarHBondContact O-N 2.83Å; R72-G75 PolarHBondContact O-N 3.26Å; E73-G75 VanDerWaalsContact C-N 3.33Å; E73-G75 PolarHBondContact O-N 2.92Å; G75-I79 PolarHBondContact O-N 2.91Å; G75-E128 VanDerWaalsContact C-OE1 3.25Å; G75-E128 WeakPolarHBondContact CA-OE1 3.31Å; G75-R131 PolarHBondContact O-NH2 3.48Å
76R90.5Very high82.1Confident77 Ų7745.1 Ų45.129%0.29124%0.239SC..Hα-helixtrans-71.9-31.5178.7-70.3175.8178.1-165.7-3.5113.2R72 E73 L74 I79 P80 E128 Y335R72-R76 WeakPolarHBondContact O-CG 3.17Å; R72-R76 PolarHBondContact O-N 3.34Å; E73-R76 PolarHBondContact O-N 2.86Å; L74-R76 PolarHBondContact O-N 3.3Å; R76-I79 CarbonylContact O-C 3.59Å; R76-P80 WeakPolarHBondContact O-CA 3.31Å; R76-E128 PolarHBondContact N-OE1 3.43Å; R76-Y335 PolarHBondContact NH2-OH 3.23Å
77M91.6Very high80.1Confident50 Ų5049.1 Ų49.125%0.24626%0.261CS..Hα-helixtrans-74.8-38.9174-69.9-172.4-73.500111.9Y29 E73 L74 C91 W94Y29-M77 HydrophobicContact CD1-CE 4.04Å; Y29-M77 HydrophobicContact CD2-CE 3.63Å; Y29-M77 HydrophobicContact CD2-SD 4.28Å; Y29-M77 HydrophobicContact CE1-CE 4.48Å; Y29-M77 HydrophobicContact CE2-CE 4.07Å; Y29-M77 HydrophobicContact CG-CE 3.62Å; E73-M77 HydrophobicContact CB-CE 4.47Å; E73-M77 WeakPolarHBondContact O-CG 3.42Å; E73-M77 PolarHBondContact O-N 3.02Å; L74-M77 HydrophobicContact CD2-CE 3.89Å; L74-M77 PolarHBondContact O-N 3.26Å; M77-C91 WeakPolarHBondContact O-CB 3.28Å; M77-W94 HydrophobicContact CB-CB 3.95Å; M77-W94 HydrophobicContact CB-CD2 3.88Å; M77-W94 HydrophobicContact CB-CE3 4.49Å; M77-W94 HydrophobicContact CB-CG 3.58Å; M77-W94 HydrophobicContact CE-CD2 4.46Å; M77-W94 HydrophobicContact CE-CE3 4.04Å; M77-W94 HydrophobicContact CE-CZ3 4.14Å; M77-W94 HydrophobicContact SD-CD2 4.08Å; M77-W94 HydrophobicContact SD-CE3 4.16Å; M77-W94 HydrophobicContact SD-CH2 4.13Å; M77-W94 HydrophobicContact SD-CZ2 4.01Å; M77-W94 HydrophobicContact SD-CZ3 4.21Å
78A92.5Very high78.3Confident0 Ų051.9 Ų51.90%028%0.279CS..Hα-helixtrans-66.5-47.2175.800000111.7L74 P90 C91 W94 V95 L98L74-A78 VanDerWaalsContact O-CB 3.24Å; L74-A78 WeakPolarHBondContact O-CB 3.42Å; L74-A78 PolarHBondContact O-N 3.19Å; A78-P90 WeakPolarHBondContact O-CA 2.99Å; A78-C91 PolarHBondContact O-N 2.91Å; A78-W94 HydrophobicContact CB-CB 3.99Å; A78-V95 HydrophobicContact CB-CG2 3.94Å; A78-L98 HydrophobicContact CB-CB 4.45Å; A78-L98 HydrophobicContact CB-CD2 3.92Å
79I88.8Confident76.9Confident1 Ų157.5 Ų57.51%0.00531%0.308CS..SBendtrans-131.994.6-179.1-63.1166.9000108.3G75 R76 P90 R131 I132 A135 I136 M139 L148G75-I79 PolarHBondContact O-N 2.91Å; R76-I79 CarbonylContact O-C 3.59Å; I79-P90 HydrophobicContact CG1-CB 4.48Å; I79-R131 VanDerWaalsContact O-CZ 3.25Å; I79-R131 PolarHBondContact O-NH1 2.61Å; I79-R131 PolarHBondContact O-NH2 2.76Å; I79-I132 HydrophobicContact CD1-CB 4.25Å; I79-I132 HydrophobicContact CD1-CG1 4.2Å; I79-I132 HydrophobicContact CD1-CG2 3.47Å; I79-I132 VanDerWaalsContact CD1-CG2 3.47Å; I79-A135 HydrophobicContact CG2-CB 3.81Å; I79-I136 HydrophobicContact CD1-CD1 4.19Å; I79-I136 HydrophobicContact CD1-CG1 3.85Å; I79-M139 HydrophobicContact CB-CE 4.42Å; I79-M139 HydrophobicContact CD1-CE 4.12Å; I79-M139 HydrophobicContact CG1-CE 3.98Å; I79-M139 HydrophobicContact CG2-CE 3.57Å; I79-L148 HydrophobicContact CD1-CD2 3.77Å
80P82.7Confident76.1Confident44 Ų4456.3 Ų56.329%0.28630%0.3SS..  trans-57.6150.3-179.1-27.836.5000114.2R76 S82 Y83R76-P80 WeakPolarHBondContact O-CA 3.31Å; P80-S82 VanDerWaalsContact C-N 3.26Å; P80-S82 PolarHBondContact O-N 2.94Å; P80-Y83 VanDerWaalsContact O-CB 3.26Å; P80-Y83 WeakPolarHBondContact O-CB 3.48Å; P80-Y83 PolarHBondContact O-N 3.31Å
81L74.6Confident75.5Confident112 Ų11258.7 Ų58.759%0.58632%0.316SS*.THydrogen-bonded Turntrans-63.9-32.4175.7-67.4175.6000112.6Y83L81-Y83 PolarHBondContact O-N 3.1Å; L81-Y83 VanDerWaalsContact O-N 3.14Å
82S62.3Low75.2Confident99 Ų9964.4 Ų64.469%0.69234%0.342SS*.THydrogen-bonded Turntrans-7715.9176.262.90000113.2P80 S84P80-S82 VanDerWaalsContact C-N 3.26Å; P80-S82 PolarHBondContact O-N 2.94Å; S82-S84 PolarHBondContact O-N 2.89Å
83Y56.5Low75.1Confident55 Ų5567 Ų6722%0.21636%0.355CS..  trans-53.6109.6174.2175.9-92.6000109.2P80 L81 T138 M139P80-Y83 VanDerWaalsContact O-CB 3.26Å; P80-Y83 WeakPolarHBondContact O-CB 3.48Å; P80-Y83 PolarHBondContact O-N 3.31Å; L81-Y83 PolarHBondContact O-N 3.1Å; L81-Y83 VanDerWaalsContact O-N 3.14Å; Y83-T138 WeakPolarHBondContact CE1-OG1 3.28Å; Y83-T138 PolarHBondContact OH-O 3.35Å; Y83-T138 PolarHBondContact OH-OG1 3.11Å; Y83-T138 VanDerWaalsContact OH-OG1 3.12Å; Y83-M139 HydrophobicContact CD2-CE 3.64Å; Y83-M139 HydrophobicContact CE2-CE 3.39Å; Y83-M139 HydrophobicContact CE2-CG 3.72Å; Y83-M139 HydrophobicContact CE2-SD 4.31Å; Y83-M139 HydrophobicContact CG-CE 4.3Å; Y83-M139 WeakPolarHBondContact OH-CG 3.34Å
84S51.5Low75.1Confident55 Ų5567.3 Ų67.339%0.38535%0.354SS..  trans-105.7148.1171.182.20000108.3S82 F86 N87S82-S84 PolarHBondContact O-N 2.89Å; S84-F86 PolarHBondContact O-N 3.37Å; S84-F86 PolarHBondContact OG-N 3.21Å; S84-N87 PolarHBondContact O-N 3.12Å
85T49.3Very low75Confident110 Ų11067.3 Ų67.368%0.67535%0.354SS*.THydrogen-bonded Turntrans-56.9-9.9175.840.30000113.9
86F47.9Very low75Confident184 Ų18470.8 Ų70.881%0.80737%0.372SS*.THydrogen-bonded Turntrans-95.713.9-176.4-64.9-76.6000115S84S84-F86 PolarHBondContact O-N 3.37Å; S84-F86 PolarHBondContact OG-N 3.21Å
87N50.6Low75.1Confident122 Ų12267.3 Ų67.365%0.65236%0.359SS*.  trans89.192.6163.7-154.525.2000115.6S84S84-N87 PolarHBondContact O-N 3.12Å
88P56.4Low75.3Confident61 Ų6165 Ų6540%0.39635%0.348SS..  -115122.4124.531.2-25.4000109.1
89L64.5Low75.3Confident122 Ų12265.6 Ų65.664%0.63935%0.351SS*.  trans-53.9152.1175.2-70.1161.5000110.5C91L89-C91 PolarHBondContact O-N 3.1Å
90P74.2Confident75.5Confident14 Ų1467.1 Ų67.19%0.09136%0.359CS..  trans-51.7142.8168.826.9-37000109.7A78 I79 E92 V95 V145A78-P90 WeakPolarHBondContact O-CA 2.99Å; I79-P90 HydrophobicContact CG1-CB 4.48Å; P90-E92 PolarHBondContact O-N 3.41Å; P90-V95 HydrophobicContact CB-CG2 3.73Å; P90-V145 HydrophobicContact CG-CG2 3.68Å
91C83Confident76Confident51 Ų5165 Ų6535%0.34535%0.345SS..  trans-77.799.4177.7-170.60000108.7M77 A78 L89 K93 W94 V95M77-C91 WeakPolarHBondContact O-CB 3.28Å; A78-C91 PolarHBondContact O-N 2.91Å; L89-C91 PolarHBondContact O-N 3.1Å; C91-K93 PolarHBondContact O-N 3.32Å; C91-K93 VanDerWaalsContact O-N 3.12Å; C91-W94 HydrophobicContact CB-CB 4.33Å; C91-W94 HydrophobicContact CB-CG 4.29Å; C91-W94 WeakPolarHBondContact O-CA 3.47Å; C91-W94 PolarHBondContact O-N 3.07Å; C91-V95 PolarHBondContact O-N 3.46Å
92E88.1Confident76.9Confident121 Ų12159.7 Ų59.757%0.56532%0.317SS*.Hα-helixtrans-47.5-45.7-170.5-62.4-169.1162.900113.1P90 W94 V95 I96 L144P90-E92 PolarHBondContact O-N 3.41Å; E92-W94 VanDerWaalsContact C-N 3.33Å; E92-W94 PolarHBondContact O-N 3.07Å; E92-V95 WeakPolarHBondContact O-CB 3.24Å; E92-V95 PolarHBondContact O-N 3.04Å; E92-I96 WeakPolarHBondContact O-CG1 3.33Å; E92-I96 PolarHBondContact O-N 3.06Å; E92-L144 HydrophobicContact CB-CD1 3.51Å; E92-L144 HydrophobicContact CG-CD1 3.43Å; E92-L144 VanDerWaalsContact CG-CD1 3.43Å
93K90.7Very high78.2Confident94 Ų9457.7 Ų57.741%0.40930%0.297SS..Hα-helixtrans-54.8-45.1176.2-179.6-179.9-170.4166.20113.5D30 C91 K97D30-K93 WeakPolarHBondContact OD1-CE 3.29Å; D30-K93 IonicContact OD1-NZ 3.05Å; D30-K93 PolarHBondContact OD1-NZ 3.1Å; D30-K93 IonicContact OD2-NZ 2.63Å; D30-K93 PolarHBondContact OD2-NZ 3.5Å; C91-K93 PolarHBondContact O-N 3.32Å; C91-K93 VanDerWaalsContact O-N 3.12Å; K93-K97 PolarHBondContact O-N 2.99Å
94W93.4Very high79.9Confident41 Ų4155.3 Ų55.316%0.15529%0.288CS..Hα-helixtrans-78.9-29.3-179.7-59.9127.7000111.9Y29 D30 L74 M77 A78 C91 E92 K97 L98Y29-W94 VanDerWaalsContact CB-CZ3 3.43Å; D30-W94 HydrophobicContact CB-CH2 3.9Å; L74-W94 HydrophobicContact CD2-CE3 4.27Å; M77-W94 HydrophobicContact CB-CB 3.95Å; M77-W94 HydrophobicContact CB-CD2 3.88Å; M77-W94 HydrophobicContact CB-CE3 4.49Å; M77-W94 HydrophobicContact CB-CG 3.58Å; M77-W94 HydrophobicContact CE-CD2 4.46Å; M77-W94 HydrophobicContact CE-CE3 4.04Å; M77-W94 HydrophobicContact CE-CZ3 4.14Å; M77-W94 HydrophobicContact SD-CD2 4.08Å; M77-W94 HydrophobicContact SD-CE3 4.16Å; M77-W94 HydrophobicContact SD-CH2 4.13Å; M77-W94 HydrophobicContact SD-CZ2 4.01Å; M77-W94 HydrophobicContact SD-CZ3 4.21Å; A78-W94 HydrophobicContact CB-CB 3.99Å; C91-W94 HydrophobicContact CB-CB 4.33Å; C91-W94 HydrophobicContact CB-CG 4.29Å; C91-W94 WeakPolarHBondContact O-CA 3.47Å; C91-W94 PolarHBondContact O-N 3.07Å; E92-W94 VanDerWaalsContact C-N 3.33Å; E92-W94 PolarHBondContact O-N 3.07Å; W94-K97 HydrophobicContact CE3-CD 3.56Å; W94-K97 HydrophobicContact CZ3-CD 3.57Å; W94-K97 PolarHBondContact O-N 3.46Å; W94-L98 WeakPolarHBondContact O-CB 3.46Å; W94-L98 PolarHBondContact O-N 3.5Å
95V93.3Very high81.9Confident0 Ų052.8 Ų52.80%027%0.27CS..Hα-helixtrans-60.8-45.2171.6170.90000110.9A78 P90 C91 E92 L98 I99 L144 L148A78-V95 HydrophobicContact CB-CG2 3.94Å; P90-V95 HydrophobicContact CB-CG2 3.73Å; C91-V95 PolarHBondContact O-N 3.46Å; E92-V95 WeakPolarHBondContact O-CB 3.24Å; E92-V95 PolarHBondContact O-N 3.04Å; V95-L98 PolarHBondContact O-N 2.86Å; V95-I99 HydrophobicContact CG1-CD1 3.79Å; V95-I99 HydrophobicContact CG1-CG1 4.37Å; V95-I99 WeakPolarHBondContact O-CG1 3.21Å; V95-I99 PolarHBondContact O-N 3.38Å; V95-L144 HydrophobicContact CG1-CB 4.28Å; V95-L148 HydrophobicContact CG1-CB 4.02Å; V95-L148 HydrophobicContact CG1-CD2 4.11Å; V95-L148 HydrophobicContact CG2-CD2 4.39Å
96I92.7Very high83.9Confident74 Ų7448.1 Ų48.138%0.37924%0.242SC..Hα-helixtrans-59.3-50.7178.2-66.3164.5000110.3E92 L98 I99 D100 L144E92-I96 WeakPolarHBondContact O-CG1 3.33Å; E92-I96 PolarHBondContact O-N 3.06Å; I96-L98 VanDerWaalsContact C-N 3.27Å; I96-L98 PolarHBondContact O-N 2.85Å; I96-I99 WeakPolarHBondContact O-CB 3.23Å; I96-I99 PolarHBondContact O-N 3.47Å; I96-I99 VanDerWaalsContact O-N 3.08Å; I96-D100 PolarHBondContact O-N 2.93Å; I96-L144 HydrophobicContact CD1-CD2 4.4Å; I96-L144 HydrophobicContact CG1-CD2 3.95Å
97K93.4Very high85.8Confident4 Ų440.6 Ų40.62%0.01721%0.21CC..Hα-helixtrans-59.6-36.6177.6-69.6169.9-174.7-81.80112.8Y29 D35 L38 L74 K93 W94 F101Y29-K97 WeakPolarHBondContact O-CE 3.22Å; Y29-K97 PolarHBondContact O-NZ 3.19Å; D35-K97 WeakPolarHBondContact OD1-CE 3.36Å; D35-K97 WeakPolarHBondContact OD1-CG 3.29Å; D35-K97 IonicContact OD1-NZ 3.88Å; D35-K97 PolarHBondContact OD1-NZ 3.31Å; D35-K97 IonicContact OD2-NZ 2.7Å; D35-K97 PolarHBondContact OD2-NZ 2.97Å; L38-K97 HydrophobicContact CD1-CB 4.08Å; L38-K97 HydrophobicContact CD1-CG 4.33Å; L74-K97 HydrophobicContact CD2-CB 4Å; K93-K97 PolarHBondContact O-N 2.99Å; W94-K97 HydrophobicContact CE3-CD 3.56Å; W94-K97 HydrophobicContact CZ3-CD 3.57Å; W94-K97 PolarHBondContact O-N 3.46Å; K97-F101 WeakPolarHBondContact O-CB 3.39Å; K97-F101 PolarHBondContact O-N 3.47Å
98L95Very high87.8Confident0 Ų035.2 Ų35.20%018%0.181CC..Hα-helixtrans-69.5-38.2176.1179.863.5000112.3Y71 L74 A78 W94 V95 I96 F101 Q102 I132 L148Y71-L98 HydrophobicContact CD2-CD1 4.27Å; Y71-L98 HydrophobicContact CE1-CD1 4.33Å; Y71-L98 HydrophobicContact CE2-CD1 3.96Å; L74-L98 HydrophobicContact CB-CB 4.44Å; L74-L98 HydrophobicContact CB-CD1 4.1Å; A78-L98 HydrophobicContact CB-CB 4.45Å; A78-L98 HydrophobicContact CB-CD2 3.92Å; W94-L98 WeakPolarHBondContact O-CB 3.46Å; W94-L98 PolarHBondContact O-N 3.5Å; V95-L98 PolarHBondContact O-N 2.86Å; I96-L98 VanDerWaalsContact C-N 3.27Å; I96-L98 PolarHBondContact O-N 2.85Å; L98-F101 PolarHBondContact O-N 3.05Å; L98-Q102 WeakPolarHBondContact O-CB 3.28Å; L98-Q102 PolarHBondContact O-N 2.72Å; L98-I132 HydrophobicContact CD2-CD1 3.89Å; L98-L148 HydrophobicContact CD2-CD1 3.76Å; L98-L148 HydrophobicContact CD2-CD2 4.37Å; L98-L148 HydrophobicContact CG-CD1 4.05Å
99I93.5Very high89.5Confident14 Ų1432.3 Ų32.37%0.07216%0.162CC..Hα-helixtrans-60.9-51.4173.8-73.9166.7000109.7V95 I96 F101 Q102 Q103 L148 Y151V95-I99 HydrophobicContact CG1-CD1 3.79Å; V95-I99 HydrophobicContact CG1-CG1 4.37Å; V95-I99 WeakPolarHBondContact O-CG1 3.21Å; V95-I99 PolarHBondContact O-N 3.38Å; I96-I99 WeakPolarHBondContact O-CB 3.23Å; I96-I99 PolarHBondContact O-N 3.47Å; I96-I99 VanDerWaalsContact O-N 3.08Å; I99-F101 VanDerWaalsContact C-N 3.28Å; I99-F101 PolarHBondContact O-N 3.18Å; I99-Q102 PolarHBondContact O-N 2.92Å; I99-Q102 VanDerWaalsContact O-N 3.13Å; I99-Q103 PolarHBondContact O-N 3.42Å; I99-L148 HydrophobicContact CD1-CB 4.15Å; I99-L148 HydrophobicContact CG1-CB 4.15Å; I99-L148 HydrophobicContact CG1-CD1 3.97Å; I99-Y151 HydrophobicContact CB-CD2 4.46Å; I99-Y151 HydrophobicContact CG1-CD2 4.4Å; I99-Y151 HydrophobicContact CG2-CD1 4.49Å; I99-Y151 HydrophobicContact CG2-CD2 3.41Å; I99-Y151 VanDerWaalsContact CG2-CD2 3.41Å; I99-Y151 HydrophobicContact CG2-CE2 3.55Å; I99-Y151 HydrophobicContact CG2-CG 3.92Å
100D91.4Very high90.7Very high32 Ų3229.7 Ų29.717%0.17115%0.151CC..Hα-helixtrans-58.4-43.3179.3-66.2-10.9000110.5L38 I96 Q103 F104L38-D100 HydrophobicContact CB-CB 4.35Å; L38-D100 HydrophobicContact CD1-CB 4.34Å; I96-D100 PolarHBondContact O-N 2.93Å; D100-Q103 PolarHBondContact O-N 3.23Å; D100-F104 WeakPolarHBondContact O-CB 3.09Å; D100-F104 PolarHBondContact O-N 2.87Å
101F94Very high91.4Very high0 Ų029.4 Ų29.40%015%0.149CC..Hα-helixtrans-69.9-34.8178-162.5-124.4000113.3L20 L38 L67 V70 Y71 L74 K97 L98 I99 F104 L105L20-F101 HydrophobicContact CD2-CE2 3.97Å; L38-F101 HydrophobicContact CD2-CB 3.97Å; L38-F101 HydrophobicContact CD2-CD2 3.36Å; L38-F101 HydrophobicContact CD2-CE2 4.2Å; L38-F101 HydrophobicContact CD2-CG 4.03Å; L67-F101 HydrophobicContact CB-CZ 4.43Å; L67-F101 HydrophobicContact CD2-CE2 4.26Å; L67-F101 HydrophobicContact CD2-CZ 3.93Å; V70-F101 HydrophobicContact CB-CE1 4.03Å; V70-F101 HydrophobicContact CB-CZ 4.05Å; V70-F101 HydrophobicContact CG1-CD1 4.23Å; V70-F101 HydrophobicContact CG1-CE1 3.76Å; V70-F101 HydrophobicContact CG1-CE2 4.31Å; V70-F101 HydrophobicContact CG1-CZ 3.8Å; Y71-F101 AromaticContact CD2-CD1 3.68Å; Y71-F101 HydrophobicContact CD2-CD1 3.68Å; Y71-F101 HydrophobicContact CD2-CE1 4.04Å; Y71-F101 HydrophobicContact CG-CD1 4.35Å; Y71-F101 HydrophobicContact CG-CE1 4.43Å; L74-F101 HydrophobicContact CD1-CB 3.96Å; L74-F101 HydrophobicContact CD1-CD1 4.04Å; L74-F101 HydrophobicContact CD1-CG 4.09Å; K97-F101 WeakPolarHBondContact O-CB 3.39Å; K97-F101 PolarHBondContact O-N 3.47Å; L98-F101 PolarHBondContact O-N 3.05Å; I99-F101 VanDerWaalsContact C-N 3.28Å; I99-F101 PolarHBondContact O-N 3.18Å; F101-F104 AromaticContact CD2-CD1 3.62Å; F101-F104 HydrophobicContact CD2-CD1 3.62Å; F101-F104 HydrophobicContact CD2-CE1 4.25Å; F101-F104 HydrophobicContact CD2-CG 4.35Å; F101-F104 AromaticContact CE2-CD1 3.5Å; F101-F104 HydrophobicContact CE2-CD1 3.5Å; F101-F104 AromaticContact CE2-CE1 3.65Å; F101-F104 HydrophobicContact CE2-CE1 3.65Å; F101-F104 HydrophobicContact CZ-CD1 4.34Å; F101-F104 HydrophobicContact CZ-CE1 4.31Å; F101-F104 WeakPolarHBondContact O-CB 3.44Å; F101-F104 PolarHBondContact O-N 3.48Å; F101-L105 HydrophobicContact CD1-CD1 4.45Å; F101-L105 HydrophobicContact CE1-CD1 4.32Å; F101-L105 WeakPolarHBondContact O-CG 3.4Å; F101-L105 PolarHBondContact O-N 3.29Å
102Q93.9Very high91.9Very high0 Ų027 Ų270%013%0.133CC..Hα-helixtrans-65.2-41.6172.5178.960.660.900111.1Y71 L98 I99 L105 S106 Y125 Y151Y71-Q102 HydrophobicContact CE2-CB 4.37Å; Y71-Q102 VanDerWaalsContact CE2-OE1 3.22Å; Y71-Q102 VanDerWaalsContact CZ-OE1 3.26Å; Y71-Q102 PolarHBondContact OH-OE1 2.95Å; L98-Q102 WeakPolarHBondContact O-CB 3.28Å; L98-Q102 PolarHBondContact O-N 2.72Å; I99-Q102 PolarHBondContact O-N 2.92Å; I99-Q102 VanDerWaalsContact O-N 3.13Å; Q102-L105 PolarHBondContact O-N 3.28Å; Q102-S106 PolarHBondContact NE2-OG 2.91Å; Q102-S106 WeakPolarHBondContact O-CB 3.47Å; Q102-S106 PolarHBondContact O-N 2.9Å; Q102-S106 PolarHBondContact O-OG 2.7Å; Q102-S106 VanDerWaalsContact O-OG 3.06Å; Q102-Y125 PolarHBondContact NE2-OH 2.92Å; Q102-Y125 PolarHBondContact OE1-OH 3.25Å; Q102-Y151 WeakPolarHBondContact CG-O 3.42Å
103Q90Very high92.1Very high58 Ų5821.4 Ų21.427%0.27111%0.107SC..Hα-helixtrans-63.9-43.5176.6-172176.816.600111.1I99 D100 L105 S106 N107 Y151I99-Q103 PolarHBondContact O-N 3.42Å; D100-Q103 PolarHBondContact O-N 3.23Å; Q103-L105 PolarHBondContact O-N 3.04Å; Q103-S106 PolarHBondContact O-N 2.7Å; Q103-N107 PolarHBondContact O-N 3.34Å; Q103-N107 PolarHBondContact O-ND2 2.64Å; Q103-Y151 HydrophobicContact CB-CD1 4.21Å; Q103-Y151 HydrophobicContact CB-CE1 4.05Å; Q103-Y151 HydrophobicContact CG-CE1 4.02Å
104F90.6Very high92.3Very high4 Ų417.9 Ų17.92%0.0189%0.094CC..Hα-helixtrans-51.2-53.5170.8161.2-103.9000111.9F41 L58 L67 D100 F101 S106 N107 Y108F41-F104 HydrophobicContact CB-CD2 3.3Å; F41-F104 HydrophobicContact CB-CE2 3.54Å; F41-F104 HydrophobicContact CB-CG 4.5Å; F41-F104 AromaticContact CD1-CE2 3.92Å; F41-F104 HydrophobicContact CD1-CE2 3.92Å; F41-F104 AromaticContact CD2-CD2 3.79Å; F41-F104 HydrophobicContact CD2-CD2 3.79Å; F41-F104 AromaticContact CD2-CE2 3.53Å; F41-F104 HydrophobicContact CD2-CE2 3.53Å; F41-F104 HydrophobicContact CD2-CZ 4.37Å; F41-F104 HydrophobicContact CE2-CE2 4.22Å; F41-F104 AromaticContact CG-CD2 3.65Å; F41-F104 HydrophobicContact CG-CD2 3.65Å; F41-F104 AromaticContact CG-CE2 3.38Å; F41-F104 HydrophobicContact CG-CE2 3.38Å; F41-F104 HydrophobicContact CG-CZ 4.49Å; L58-F104 HydrophobicContact CD1-CZ 4.2Å; L58-F104 HydrophobicContact CD2-CZ 3.76Å; L67-F104 HydrophobicContact CD2-CE1 4.27Å; D100-F104 WeakPolarHBondContact O-CB 3.09Å; D100-F104 PolarHBondContact O-N 2.87Å; F101-F104 AromaticContact CD2-CD1 3.62Å; F101-F104 HydrophobicContact CD2-CD1 3.62Å; F101-F104 HydrophobicContact CD2-CE1 4.25Å; F101-F104 HydrophobicContact CD2-CG 4.35Å; F101-F104 AromaticContact CE2-CD1 3.5Å; F101-F104 HydrophobicContact CE2-CD1 3.5Å; F101-F104 AromaticContact CE2-CE1 3.65Å; F101-F104 HydrophobicContact CE2-CE1 3.65Å; F101-F104 HydrophobicContact CZ-CD1 4.34Å; F101-F104 HydrophobicContact CZ-CE1 4.31Å; F101-F104 WeakPolarHBondContact O-CB 3.44Å; F101-F104 PolarHBondContact O-N 3.48Å; F104-S106 PolarHBondContact O-N 3.4Å; F104-N107 WeakPolarHBondContact O-CB 3.41Å; F104-N107 PolarHBondContact O-N 2.88Å; F104-Y108 HydrophobicContact CD2-CD2 4.07Å; F104-Y108 AromaticContact CD2-CE2 3.59Å; F104-Y108 HydrophobicContact CD2-CE2 3.59Å; F104-Y108 AromaticContact CE2-CD2 3.89Å; F104-Y108 HydrophobicContact CE2-CD2 3.89Å; F104-Y108 AromaticContact CE2-CE2 3.31Å; F104-Y108 HydrophobicContact CE2-CE2 3.31Å; F104-Y108 HydrophobicContact CZ-CD2 4.33Å; F104-Y108 HydrophobicContact CZ-CE2 4.11Å; F104-Y108 VanDerWaalsContact O-CD2 3.23Å; F104-Y108 WeakPolarHBondContact O-CD2 3.35Å; F104-Y108 PolarHBondContact O-N 3.14Å
105L93.3Very high92.4Very high2 Ų216 Ų161%0.019%0.087CC..Hα-helixtrans-62-44.3178.9-64.9175.7000111.6Y71 F101 Q102 Q103 N107 Y108 M109 F115 L119 Y125Y71-L105 HydrophobicContact CD2-CD1 3.5Å; Y71-L105 HydrophobicContact CE2-CD1 3.89Å; Y71-L105 HydrophobicContact CG-CD1 4.44Å; F101-L105 HydrophobicContact CD1-CD1 4.45Å; F101-L105 HydrophobicContact CE1-CD1 4.32Å; F101-L105 WeakPolarHBondContact O-CG 3.4Å; F101-L105 PolarHBondContact O-N 3.29Å; Q102-L105 PolarHBondContact O-N 3.28Å; Q103-L105 PolarHBondContact O-N 3.04Å; L105-N107 VanDerWaalsContact C-N 3.3Å; L105-N107 PolarHBondContact O-N 3.21Å; L105-Y108 PolarHBondContact O-N 3.23Å; L105-Y108 VanDerWaalsContact O-N 3.16Å; L105-M109 WeakPolarHBondContact O-CG 3.34Å; L105-M109 PolarHBondContact O-N 2.9Å; L105-F115 HydrophobicContact CD2-CE1 4.44Å; L105-F115 HydrophobicContact CD2-CZ 3.85Å; L105-L119 HydrophobicContact CB-CD2 4.22Å; L105-L119 HydrophobicContact CD1-CD2 4.26Å; L105-Y125 HydrophobicContact CD1-CE2 4.01Å
106S91.4Very high92.5Very high12 Ų1216 Ų168%0.0849%0.087CC..Hα-helixtrans-57.9-41.2177.4-67.50000112.7Q102 Q103 F104 Y108 M109 T110 G155Q102-S106 PolarHBondContact NE2-OG 2.91Å; Q102-S106 WeakPolarHBondContact O-CB 3.47Å; Q102-S106 PolarHBondContact O-N 2.9Å; Q102-S106 PolarHBondContact O-OG 2.7Å; Q102-S106 VanDerWaalsContact O-OG 3.06Å; Q103-S106 PolarHBondContact O-N 2.7Å; F104-S106 PolarHBondContact O-N 3.4Å; S106-Y108 VanDerWaalsContact C-N 3.3Å; S106-Y108 PolarHBondContact O-N 3.09Å; S106-M109 VanDerWaalsContact CA-CE 3.44Å; S106-M109 WeakPolarHBondContact O-CB 3.43Å; S106-M109 PolarHBondContact O-N 2.69Å; S106-M109 VanDerWaalsContact O-N 3.12Å; S106-M109 WeakPolarHBondContact OG-CE 3.45Å; S106-T110 WeakPolarHBondContact O-CG2 3.45Å; S106-T110 PolarHBondContact O-N 3.13Å; S106-G155 VanDerWaalsContact OG-CA 3.32Å; S106-G155 WeakPolarHBondContact OG-CA 3.42Å
107N88.5Confident92.6Very high26 Ų2614.9 Ų14.914%0.1398%0.078CC..Hα-helixtrans-57.7-43.5176.9-70.8-20.6000111.1R50 Q103 F104 L105 T110R50-N107 PolarHBondContact NH2-O 3.3Å; Q103-N107 PolarHBondContact O-N 3.34Å; Q103-N107 PolarHBondContact O-ND2 2.64Å; F104-N107 WeakPolarHBondContact O-CB 3.41Å; F104-N107 PolarHBondContact O-N 2.88Å; L105-N107 VanDerWaalsContact C-N 3.3Å; L105-N107 PolarHBondContact O-N 3.21Å; N107-T110 PolarHBondContact O-OG1 2.94Å
108Y91.8Very high92.6Very high9 Ų915 Ų154%0.0358%0.079CC..Hα-helixtrans-76.7-28.9177.6-66.9-75.4000113.1F41 R50 V53 A54 L58 F104 L105 S106 T110 V111 S112F41-Y108 HydrophobicContact CB-CE2 4.5Å; R50-Y108 HydrophobicContact CB-CD1 4.47Å; R50-Y108 HydrophobicContact CB-CE1 4.29Å; R50-Y108 WeakPolarHBondContact O-CD1 3.42Å; V53-Y108 HydrophobicContact CB-CE1 3.74Å; V53-Y108 HydrophobicContact CG1-CD1 4.33Å; V53-Y108 HydrophobicContact CG1-CE1 3.49Å; V53-Y108 VanDerWaalsContact CG1-CE1 3.49Å; A54-Y108 HydrophobicContact CB-CD1 3.97Å; A54-Y108 HydrophobicContact CB-CG 4.45Å; L58-Y108 HydrophobicContact CD1-CD1 3.74Å; L58-Y108 HydrophobicContact CD1-CD2 3.36Å; L58-Y108 HydrophobicContact CD1-CE1 4.11Å; L58-Y108 HydrophobicContact CD1-CE2 3.82Å; L58-Y108 HydrophobicContact CD1-CG 3.32Å; F104-Y108 HydrophobicContact CD2-CD2 4.07Å; F104-Y108 AromaticContact CD2-CE2 3.59Å; F104-Y108 HydrophobicContact CD2-CE2 3.59Å; F104-Y108 AromaticContact CE2-CD2 3.89Å; F104-Y108 HydrophobicContact CE2-CD2 3.89Å; F104-Y108 AromaticContact CE2-CE2 3.31Å; F104-Y108 HydrophobicContact CE2-CE2 3.31Å; F104-Y108 HydrophobicContact CZ-CD2 4.33Å; F104-Y108 HydrophobicContact CZ-CE2 4.11Å; F104-Y108 VanDerWaalsContact O-CD2 3.23Å; F104-Y108 WeakPolarHBondContact O-CD2 3.35Å; F104-Y108 PolarHBondContact O-N 3.14Å; L105-Y108 PolarHBondContact O-N 3.23Å; L105-Y108 VanDerWaalsContact O-N 3.16Å; S106-Y108 VanDerWaalsContact C-N 3.3Å; S106-Y108 PolarHBondContact O-N 3.09Å; Y108-T110 VanDerWaalsContact C-N 3.29Å; Y108-T110 PolarHBondContact O-N 2.68Å; Y108-V111 WeakPolarHBondContact O-CG2 3.25Å; Y108-V111 PolarHBondContact O-N 2.99Å; Y108-S112 PolarHBondContact O-N 3.16Å; Y108-S112 VanDerWaalsContact O-N 3.15Å
109M93.4Very high92.7Very high0 Ų015.2 Ų15.20%08%0.08CC..Hα-helixtrans-61-36.5172.9-70.7-170.5-70.100112.5L105 S106 V111 F115 T116 L119 G155 T158 A159 Y162L105-M109 WeakPolarHBondContact O-CG 3.34Å; L105-M109 PolarHBondContact O-N 2.9Å; S106-M109 VanDerWaalsContact CA-CE 3.44Å; S106-M109 WeakPolarHBondContact O-CB 3.43Å; S106-M109 PolarHBondContact O-N 2.69Å; S106-M109 VanDerWaalsContact O-N 3.12Å; S106-M109 WeakPolarHBondContact OG-CE 3.45Å; M109-V111 PolarHBondContact O-N 3.27Å; M109-F115 HydrophobicContact CG-CD1 4.24Å; M109-F115 HydrophobicContact CG-CE1 4.24Å; M109-T116 VanDerWaalsContact CA-OG1 3.23Å; M109-T116 WeakPolarHBondContact CA-OG1 3.47Å; M109-T116 HydrophobicContact CB-CG2 4.48Å; M109-T116 WeakPolarHBondContact CB-OG1 3.49Å; M109-T116 HydrophobicContact CG-CG2 4.31Å; M109-T116 PolarHBondContact O-OG1 3.48Å; M109-T116 VanDerWaalsContact O-OG1 3.13Å; M109-T116 HydrophobicContact SD-CG2 4.31Å; M109-L119 HydrophobicContact CE-CD2 4.39Å; M109-L119 HydrophobicContact CG-CD2 4.23Å; M109-L119 HydrophobicContact SD-CD2 3.69Å; M109-G155 WeakPolarHBondContact CE-O 3.34Å; M109-T158 HydrophobicContact CB-CG2 3.7Å; M109-A159 HydrophobicContact SD-CB 4.4Å; M109-Y162 VanDerWaalsContact O-CE2 3.32Å; M109-Y162 WeakPolarHBondContact O-CE2 3.5Å; M109-Y162 PolarHBondContact O-OH 3.29Å
110T89.2Confident92.7Very high67 Ų6714.5 Ų14.541%0.4118%0.076SC..THydrogen-bonded Turntrans-61.9-24.1179.2590000114.4R50 S106 N107 Y108 T158R50-T110 PolarHBondContact NH2-OG1 3.01Å; S106-T110 WeakPolarHBondContact O-CG2 3.45Å; S106-T110 PolarHBondContact O-N 3.13Å; N107-T110 PolarHBondContact O-OG1 2.94Å; Y108-T110 VanDerWaalsContact C-N 3.29Å; Y108-T110 PolarHBondContact O-N 2.68Å; T110-T158 HydrophobicContact CG2-CG2 3.56Å
111V89.4Confident92.6Very high9 Ų914.4 Ų14.46%0.0557%0.074CC..THydrogen-bonded Turntrans-117.7-3.9-171.6-59.20000114.2T47 R50 T51 Y108 M109T47-V111 HydrophobicContact CG2-CB 4.39Å; T47-V111 HydrophobicContact CG2-CG1 3.95Å; R50-V111 HydrophobicContact CB-CG1 4.45Å; R50-V111 HydrophobicContact CB-CG2 3.76Å; T51-V111 PolarHBondContact OG1-O 2.75Å; T51-V111 VanDerWaalsContact OG1-O 3.06Å; Y108-V111 WeakPolarHBondContact O-CG2 3.25Å; Y108-V111 PolarHBondContact O-N 2.99Å; M109-V111 PolarHBondContact O-N 3.27Å
112S92.6Very high92.5Very high0 Ų014.6 Ų14.60%08%0.076CC..  trans-141.6113.7-178.91750000112.3A54 Y108 S114 F115 T116 Y162 E316A54-S112 VanDerWaalsContact CB-CB 3.44Å; Y108-S112 PolarHBondContact O-N 3.16Å; Y108-S112 VanDerWaalsContact O-N 3.15Å; S112-S114 PolarHBondContact OG-OG 2.94Å; S112-F115 WeakPolarHBondContact OG-CB 3.33Å; S112-F115 PolarHBondContact OG-N 3.23Å; S112-F115 VanDerWaalsContact OG-N 3.11Å; S112-T116 WeakPolarHBondContact O-CB 3.04Å; S112-T116 PolarHBondContact O-N 3.2Å; S112-T116 VanDerWaalsContact O-N 3.14Å; S112-T116 PolarHBondContact O-OG1 3.38Å; S112-Y162 PolarHBondContact N-OH 2.94Å; S112-Y162 PolarHBondContact O-OH 2.86Å; S112-E316 WeakPolarHBondContact CA-OE1 3.2Å; S112-E316 VanDerWaalsContact CB-OE1 3.25Å; S112-E316 WeakPolarHBondContact CB-OE1 3.23Å; S112-E316 PolarHBondContact OG-OE1 3.16Å
113I93.7Very high92.2Very high3 Ų316.6 Ų16.62%0.0159%0.086CC..Hα-helixtrans-71.4-36.6173.8-168.7172.5000111.2T116 R117 Y162 C309 M312 E316I113-T116 PolarHBondContact O-N 3.49Å; I113-R117 HydrophobicContact CG1-CG 4.22Å; I113-R117 WeakPolarHBondContact O-CB 3.23Å; I113-R117 VanDerWaalsContact O-CG 3.24Å; I113-R117 WeakPolarHBondContact O-CG 3.32Å; I113-R117 PolarHBondContact O-N 3.22Å; I113-Y162 HydrophobicContact CB-CD1 3.81Å; I113-Y162 HydrophobicContact CB-CE1 3.52Å; I113-Y162 HydrophobicContact CD1-CD1 3.7Å; I113-Y162 HydrophobicContact CD1-CE1 4.31Å; I113-Y162 HydrophobicContact CD1-CG 4.17Å; I113-Y162 HydrophobicContact CG1-CD1 3.69Å; I113-Y162 HydrophobicContact CG1-CE1 3.94Å; I113-Y162 HydrophobicContact CG1-CG 4.03Å; I113-Y162 PolarHBondContact N-OH 3.5Å; I113-C309 HydrophobicContact CD1-CB 3.57Å; I113-C309 WeakPolarHBondContact CD1-SG 3.35Å; I113-M312 HydrophobicContact CG2-CB 4.27Å; I113-E316 PolarHBondContact N-OE1 3.43Å
114S93.7Very high92.1Very high21 Ų2114.7 Ų14.715%0.1478%0.078CC..Hα-helixtrans-66.6-45-18058.10000111.6S112 R117 K118 E316S112-S114 PolarHBondContact OG-OG 2.94Å; S114-R117 PolarHBondContact O-N 3.42Å; S114-K118 WeakPolarHBondContact O-CB 3.45Å; S114-K118 PolarHBondContact O-N 3.14Å; S114-E316 WeakPolarHBondContact CB-OE2 3.43Å; S114-E316 PolarHBondContact N-OE1 2.91Å; S114-E316 PolarHBondContact OG-OE1 2.95Å; S114-E316 VanDerWaalsContact OG-OE1 3.05Å; S114-E316 PolarHBondContact OG-OE2 3.12Å
115F95Very high92.3Very high0 Ų014.6 Ų14.60%08%0.077CC..Hα-helixtrans-61.1-45.2173.5178.5-110.4000111.6A54 L58 F64 L105 M109 S112 R117 K118 L119A54-F115 HydrophobicContact CB-CB 4.17Å; L58-F115 HydrophobicContact CB-CD2 3.91Å; L58-F115 HydrophobicContact CB-CE2 3.67Å; L58-F115 HydrophobicContact CB-CZ 4.36Å; L58-F115 HydrophobicContact CD1-CE2 4.41Å; L58-F115 HydrophobicContact CD1-CZ 4.31Å; F64-F115 HydrophobicContact CD2-CE2 4.15Å; F64-F115 HydrophobicContact CE2-CE2 4.33Å; L105-F115 HydrophobicContact CD2-CE1 4.44Å; L105-F115 HydrophobicContact CD2-CZ 3.85Å; M109-F115 HydrophobicContact CG-CD1 4.24Å; M109-F115 HydrophobicContact CG-CE1 4.24Å; S112-F115 WeakPolarHBondContact OG-CB 3.33Å; S112-F115 PolarHBondContact OG-N 3.23Å; S112-F115 VanDerWaalsContact OG-N 3.11Å; F115-R117 PolarHBondContact O-N 2.93Å; F115-K118 PolarHBondContact O-N 3.41Å; F115-L119 WeakPolarHBondContact O-CB 3.29Å; F115-L119 PolarHBondContact O-N 3.29Å
116T96.2Very high92.3Very high0 Ų014.5 Ų14.50%08%0.077CC..Hα-helixtrans-58.7-48.7177.3-58.90000111.5M109 S112 I113 K118 L119 I120 A159 Y162 I167M109-T116 VanDerWaalsContact CA-OG1 3.23Å; M109-T116 WeakPolarHBondContact CA-OG1 3.47Å; M109-T116 HydrophobicContact CB-CG2 4.48Å; M109-T116 WeakPolarHBondContact CB-OG1 3.49Å; M109-T116 HydrophobicContact CG-CG2 4.31Å; M109-T116 PolarHBondContact O-OG1 3.48Å; M109-T116 VanDerWaalsContact O-OG1 3.13Å; M109-T116 HydrophobicContact SD-CG2 4.31Å; S112-T116 WeakPolarHBondContact O-CB 3.04Å; S112-T116 PolarHBondContact O-N 3.2Å; S112-T116 VanDerWaalsContact O-N 3.14Å; S112-T116 PolarHBondContact O-OG1 3.38Å; I113-T116 PolarHBondContact O-N 3.49Å; T116-K118 VanDerWaalsContact C-N 3.32Å; T116-K118 PolarHBondContact O-N 3.26Å; T116-L119 PolarHBondContact O-N 2.88Å; T116-I120 HydrophobicContact CG2-CG1 4.35Å; T116-I120 WeakPolarHBondContact O-CG1 3.44Å; T116-I120 PolarHBondContact O-N 2.91Å; T116-A159 HydrophobicContact CG2-CB 3.56Å; T116-Y162 HydrophobicContact CG2-CD2 4.13Å; T116-Y162 HydrophobicContact CG2-CE2 4.04Å; T116-I167 HydrophobicContact CG2-CD1 3.72Å
117R94.6Very high92.1Very high52 Ų5216.5 Ų16.520%0.1969%0.086CC..Hα-helixtrans-60.1-42.7176.7-72.7170.469.4160.87.4111.2I113 S114 F115 L119 I120 K121 F166 I167 D328I113-R117 HydrophobicContact CG1-CG 4.22Å; I113-R117 WeakPolarHBondContact O-CB 3.23Å; I113-R117 VanDerWaalsContact O-CG 3.24Å; I113-R117 WeakPolarHBondContact O-CG 3.32Å; I113-R117 PolarHBondContact O-N 3.22Å; S114-R117 PolarHBondContact O-N 3.42Å; F115-R117 PolarHBondContact O-N 2.93Å; R117-L119 PolarHBondContact O-N 3.34Å; R117-I120 PolarHBondContact O-N 3.32Å; R117-K121 WeakPolarHBondContact O-CB 3.37Å; R117-K121 PolarHBondContact O-N 3.09Å; R117-F166 HydrophobicContact CB-CE1 4.48Å; R117-F166 HydrophobicContact CG-CD1 4.44Å; R117-I167 HydrophobicContact CG-CD1 4.14Å; R117-I167 HydrophobicContact CG-CG1 4.2Å; R117-D328 IonicContact CZ-OD1 3.17Å; R117-D328 IonicContact CZ-OD2 3.23Å; R117-D328 IonicContact NE-OD1 2.78Å; R117-D328 IonicContact NH2-OD1 2.72Å; R117-D328 PolarHBondContact NH2-OD1 3.25Å; R117-D328 IonicContact NH2-OD2 2.72Å; R117-D328 PolarHBondContact NH2-OD2 3.16Å
118K94.1Very high92.3Very high7 Ų715.5 Ų15.53%0.038%0.08CC..Hα-helixtrans-61.8-43.3176.4-162.1166.5-173162.50111.6S59 T61 F64 S114 F115 T116 K121 S122 Y326 L332S59-K118 PolarHBondContact O-NZ 2.98Å; T61-K118 PolarHBondContact OG1-NZ 3.09Å; F64-K118 HydrophobicContact CD1-CD 4.31Å; F64-K118 HydrophobicContact CD1-CG 4.09Å; F64-K118 HydrophobicContact CD2-CB 4.49Å; F64-K118 HydrophobicContact CD2-CD 4.04Å; F64-K118 HydrophobicContact CD2-CG 3.93Å; F64-K118 HydrophobicContact CE1-CG 3.94Å; F64-K118 HydrophobicContact CE2-CB 4.06Å; F64-K118 HydrophobicContact CE2-CD 4.39Å; F64-K118 HydrophobicContact CE2-CG 3.77Å; F64-K118 HydrophobicContact CG-CD 4Å; F64-K118 HydrophobicContact CG-CG 4.09Å; F64-K118 VanDerWaalsContact CZ-C 3.45Å; F64-K118 HydrophobicContact CZ-CB 4.3Å; F64-K118 HydrophobicContact CZ-CG 3.79Å; F64-K118 WeakPolarHBondContact CZ-O 3.45Å; S114-K118 WeakPolarHBondContact O-CB 3.45Å; S114-K118 PolarHBondContact O-N 3.14Å; F115-K118 PolarHBondContact O-N 3.41Å; T116-K118 VanDerWaalsContact C-N 3.32Å; T116-K118 PolarHBondContact O-N 3.26Å; K118-K121 PolarHBondContact O-N 2.65Å; K118-S122 PolarHBondContact O-N 3.27Å; K118-Y326 HydrophobicContact CB-CE2 4.11Å; K118-Y326 HydrophobicContact CD-CD2 4.21Å; K118-Y326 HydrophobicContact CD-CE2 3.95Å; K118-Y326 HydrophobicContact CG-CE2 3.83Å; K118-L332 HydrophobicContact CG-CD1 4.07Å; K118-L332 HydrophobicContact CG-CD2 4.47Å
119L95.6Very high92.5Very high3 Ų315 Ų152%0.0168%0.078CC..Hα-helixtrans-64.6-48.4177.4-166.964.3000112.7F64 V68 L105 M109 F115 T116 R117 K121 S122 Y125F64-L119 HydrophobicContact CE2-CB 4.23Å; F64-L119 HydrophobicContact CE2-CD1 4.05Å; F64-L119 HydrophobicContact CZ-CD1 4.25Å; V68-L119 HydrophobicContact CG1-CD1 3.97Å; L105-L119 HydrophobicContact CB-CD2 4.22Å; L105-L119 HydrophobicContact CD1-CD2 4.26Å; M109-L119 HydrophobicContact CE-CD2 4.39Å; M109-L119 HydrophobicContact CG-CD2 4.23Å; M109-L119 HydrophobicContact SD-CD2 3.69Å; F115-L119 WeakPolarHBondContact O-CB 3.29Å; F115-L119 PolarHBondContact O-N 3.29Å; T116-L119 PolarHBondContact O-N 2.88Å; R117-L119 PolarHBondContact O-N 3.34Å; L119-K121 VanDerWaalsContact C-N 3.29Å; L119-K121 PolarHBondContact O-N 3.37Å; L119-S122 VanDerWaalsContact O-CB 3.27Å; L119-S122 WeakPolarHBondContact O-CB 3.23Å; L119-S122 PolarHBondContact O-N 3.48Å; L119-S122 VanDerWaalsContact O-N 3.1Å; L119-Y125 HydrophobicContact CD1-CD1 4.14Å; L119-Y125 HydrophobicContact CD1-CD2 3.8Å; L119-Y125 HydrophobicContact CD1-CE2 4.2Å; L119-Y125 HydrophobicContact CD1-CG 3.76Å; L119-Y125 HydrophobicContact CD2-CD1 4.46Å; L119-Y125 HydrophobicContact CD2-CD2 4.48Å; L119-Y125 HydrophobicContact CD2-CE1 4.06Å; L119-Y125 HydrophobicContact CD2-CE2 4.07Å; L119-Y125 HydrophobicContact CG-CD1 3.79Å; L119-Y125 HydrophobicContact CG-CD2 4.17Å; L119-Y125 HydrophobicContact CG-CE1 3.86Å; L119-Y125 HydrophobicContact CG-CE2 4.22Å; L119-Y125 HydrophobicContact CG-CG 3.95Å
120I94.9Very high92.4Very high0 Ų016.4 Ų16.40%08%0.083CC..Hα-helixtrans-70.2-25.6178.2-61.2-59000112.1T116 R117 S122 Y125 L126 A159 I167 R170 L171T116-I120 HydrophobicContact CG2-CG1 4.35Å; T116-I120 WeakPolarHBondContact O-CG1 3.44Å; T116-I120 PolarHBondContact O-N 2.91Å; R117-I120 PolarHBondContact O-N 3.32Å; I120-S122 VanDerWaalsContact C-N 3.3Å; I120-Y125 HydrophobicContact CD1-CE1 4.23Å; I120-L126 HydrophobicContact CD1-CD2 4.08Å; I120-L126 HydrophobicContact CG2-CD1 4.23Å; I120-L126 WeakPolarHBondContact O-CD1 3.44Å; I120-A159 HydrophobicContact CD1-CB 3.9Å; I120-A159 HydrophobicContact CG1-CB 3.89Å; I120-I167 HydrophobicContact CG1-CG2 4.28Å; I120-I167 HydrophobicContact CG2-CB 4.48Å; I120-I167 HydrophobicContact CG2-CG2 4.21Å; I120-R170 HydrophobicContact CG2-CB 3.64Å; I120-R170 HydrophobicContact CG2-CG 4.34Å; I120-R170 PolarHBondContact O-NE 3.26Å; I120-L171 HydrophobicContact CD1-CD2 4.23Å; I120-L171 HydrophobicContact CG2-CG 4.42Å
121K89.8Confident92.5Very high29 Ų2915.2 Ų15.213%0.1267%0.071CC..Hα-helixtrans-68.1-30.6170.6-171171.7172.9178.50111.9R117 K118 L119 D123 F166 R170 Y326 S327 D328 E330 L332R117-K121 WeakPolarHBondContact O-CB 3.37Å; R117-K121 PolarHBondContact O-N 3.09Å; K118-K121 PolarHBondContact O-N 2.65Å; L119-K121 VanDerWaalsContact C-N 3.29Å; L119-K121 PolarHBondContact O-N 3.37Å; K121-D123 PolarHBondContact O-N 3.27Å; K121-F166 HydrophobicContact CB-CE1 4.14Å; K121-F166 HydrophobicContact CB-CZ 3.75Å; K121-F166 HydrophobicContact CD-CZ 4.11Å; K121-F166 HydrophobicContact CG-CZ 3.89Å; K121-R170 PolarHBondContact O-NH2 3.18Å; K121-Y326 WeakPolarHBondContact CD-OH 3.46Å; K121-S327 PolarHBondContact NZ-O 3.39Å; K121-D328 VanDerWaalsContact NZ-C 3.3Å; K121-D328 PolarHBondContact NZ-O 3.49Å; K121-E330 WeakPolarHBondContact CE-O 3.15Å; K121-E330 PolarHBondContact NZ-O 3.45Å; K121-L332 HydrophobicContact CB-CD1 3.98Å; K121-L332 HydrophobicContact CD-CD1 4.09Å; K121-L332 HydrophobicContact CG-CD1 3.96Å
122S91.1Very high92.6Very high5 Ų514.8 Ų14.84%0.0357%0.069CC..  trans-65.4112.8-177.5179.80000112.6K118 L119 I120 I124 Y125 L126K118-S122 PolarHBondContact O-N 3.27Å; L119-S122 VanDerWaalsContact O-CB 3.27Å; L119-S122 WeakPolarHBondContact O-CB 3.23Å; L119-S122 PolarHBondContact O-N 3.48Å; L119-S122 VanDerWaalsContact O-N 3.1Å; I120-S122 VanDerWaalsContact C-N 3.3Å; S122-I124 PolarHBondContact O-N 3.26Å; S122-I124 PolarHBondContact OG-N 3.2Å; S122-Y125 PolarHBondContact O-N 3.49Å; S122-Y125 PolarHBondContact OG-N 3.01Å; S122-L126 PolarHBondContact O-N 3.43Å; S122-L126 VanDerWaalsContact O-N 3.12Å
123D86.9Confident92.6Very high41 Ų4114.8 Ų14.822%0.2197%0.069CC..Hα-helixtrans-60.3-36.3173-73.3-25.7000111.4K121 Y125 M127 R170 Y174K121-D123 PolarHBondContact O-N 3.27Å; D123-Y125 PolarHBondContact O-N 3.1Å; D123-M127 WeakPolarHBondContact O-CB 3.44Å; D123-M127 WeakPolarHBondContact O-CG 3.48Å; D123-M127 PolarHBondContact O-N 3.04Å; D123-R170 IonicContact OD1-CZ 3.04Å; D123-R170 IonicContact OD1-NH1 3.78Å; D123-R170 IonicContact OD1-NH2 3.77Å; D123-R170 PolarHBondContact OD1-NH2 3.41Å; D123-Y174 VanDerWaalsContact CA-OH 3.23Å; D123-Y174 WeakPolarHBondContact CA-OH 3.36Å; D123-Y174 WeakPolarHBondContact CB-OH 3.39Å; D123-Y174 PolarHBondContact OD1-OH 2.95Å
124I88.2Confident92.3Very high19 Ų1918.2 Ų18.210%0.0979%0.087CC..Hα-helixtrans-59-48.1178.8-64173.5000110.7V68 R72 S122 E128V68-I124 HydrophobicContact CB-CB 4.42Å; V68-I124 HydrophobicContact CB-CG2 4.23Å; V68-I124 HydrophobicContact CG2-CB 4.31Å; V68-I124 HydrophobicContact CG2-CD1 4.17Å; V68-I124 HydrophobicContact CG2-CG2 4.31Å; R72-I124 HydrophobicContact CB-CG2 3.98Å; R72-I124 HydrophobicContact CG-CG2 4.44Å; S122-I124 PolarHBondContact O-N 3.26Å; S122-I124 PolarHBondContact OG-N 3.2Å; I124-E128 WeakPolarHBondContact O-CB 3.48Å; I124-E128 PolarHBondContact O-N 3.48Å
125Y95.3Very high91.9Very high1 Ų117.7 Ų17.70%0.0048%0.084CC..Hα-helixtrans-66.4-54-179.6174.3-102.9000111.2Y71 Q102 L105 L119 I120 S122 D123 M127 E128 V129Y71-Y125 AromaticContact CD1-CD2 3.86Å; Y71-Y125 HydrophobicContact CD1-CD2 3.86Å; Y71-Y125 HydrophobicContact CD1-CE2 4.23Å; Y71-Y125 HydrophobicContact CD2-CD2 4.22Å; Y71-Y125 HydrophobicContact CD2-CE2 4.05Å; Y71-Y125 AromaticContact CE1-CD2 3.95Å; Y71-Y125 HydrophobicContact CE1-CD2 3.95Å; Y71-Y125 AromaticContact CE1-CE2 3.94Å; Y71-Y125 HydrophobicContact CE1-CE2 3.94Å; Y71-Y125 HydrophobicContact CE2-CD2 4.29Å; Y71-Y125 AromaticContact CE2-CE2 3.74Å; Y71-Y125 HydrophobicContact CE2-CE2 3.74Å; Y71-Y125 HydrophobicContact CG-CD2 4.01Å; Y71-Y125 HydrophobicContact CG-CE2 4.28Å; Y71-Y125 AromaticContact CZ-CE2 3.67Å; Q102-Y125 PolarHBondContact NE2-OH 2.92Å; Q102-Y125 PolarHBondContact OE1-OH 3.25Å; L105-Y125 HydrophobicContact CD1-CE2 4.01Å; L119-Y125 HydrophobicContact CD1-CD1 4.14Å; L119-Y125 HydrophobicContact CD1-CD2 3.8Å; L119-Y125 HydrophobicContact CD1-CE2 4.2Å; L119-Y125 HydrophobicContact CD1-CG 3.76Å; L119-Y125 HydrophobicContact CD2-CD1 4.46Å; L119-Y125 HydrophobicContact CD2-CD2 4.48Å; L119-Y125 HydrophobicContact CD2-CE1 4.06Å; L119-Y125 HydrophobicContact CD2-CE2 4.07Å; L119-Y125 HydrophobicContact CG-CD1 3.79Å; L119-Y125 HydrophobicContact CG-CD2 4.17Å; L119-Y125 HydrophobicContact CG-CE1 3.86Å; L119-Y125 HydrophobicContact CG-CE2 4.22Å; L119-Y125 HydrophobicContact CG-CG 3.95Å; I120-Y125 HydrophobicContact CD1-CE1 4.23Å; S122-Y125 PolarHBondContact O-N 3.49Å; S122-Y125 PolarHBondContact OG-N 3.01Å; D123-Y125 PolarHBondContact O-N 3.1Å; Y125-M127 PolarHBondContact O-N 2.97Å; Y125-E128 PolarHBondContact O-N 3.17Å; Y125-E128 VanDerWaalsContact O-N 3.16Å; Y125-V129 HydrophobicContact CD1-CG2 4.29Å; Y125-V129 HydrophobicContact CD2-CG2 4.21Å; Y125-V129 HydrophobicContact CE1-CG2 3.92Å; Y125-V129 HydrophobicContact CE2-CG2 3.84Å; Y125-V129 HydrophobicContact CG-CG2 4.43Å; Y125-V129 WeakPolarHBondContact O-CG2 3.5Å; Y125-V129 PolarHBondContact O-N 3.06Å
126L92.2Very high91.6Very high0 Ų017.8 Ų17.80%08%0.084CC..Hα-helixtrans-66.6-36.4-176.2-72.8-172.6000113.4I120 S122 E128 R130 R170 L171 Y174 I176I120-L126 HydrophobicContact CD1-CD2 4.08Å; I120-L126 HydrophobicContact CG2-CD1 4.23Å; I120-L126 WeakPolarHBondContact O-CD1 3.44Å; S122-L126 PolarHBondContact O-N 3.43Å; S122-L126 VanDerWaalsContact O-N 3.12Å; L126-E128 VanDerWaalsContact C-N 3.28Å; L126-E128 PolarHBondContact O-N 2.66Å; L126-R130 VanDerWaalsContact O-CB 3.29Å; L126-R130 WeakPolarHBondContact O-CB 3.48Å; L126-R130 PolarHBondContact O-N 3.48Å; L126-R170 HydrophobicContact CD1-CB 4.37Å; L126-L171 HydrophobicContact CD2-CD2 3.8Å; L126-Y174 HydrophobicContact CB-CD1 3.78Å; L126-Y174 HydrophobicContact CB-CD2 3.94Å; L126-Y174 HydrophobicContact CB-CE1 3.81Å; L126-Y174 HydrophobicContact CB-CE2 3.94Å; L126-Y174 HydrophobicContact CB-CG 3.86Å; L126-Y174 HydrophobicContact CD1-CD2 3.48Å; L126-Y174 VanDerWaalsContact CD1-CD2 3.48Å; L126-Y174 HydrophobicContact CD1-CE2 3.76Å; L126-Y174 HydrophobicContact CD1-CG 4.02Å; L126-Y174 HydrophobicContact CG-CD2 4.39Å; L126-I176 HydrophobicContact CD2-CD1 4.31Å
127M88.6Confident90.9Very high55 Ų5519.9 Ų19.927%0.27110%0.096SC..Hα-helixtrans-59.1-43.9173.2-77-17872.400110.9D123 Y125 R131 Y174 Y335 F458D123-M127 WeakPolarHBondContact O-CB 3.44Å; D123-M127 WeakPolarHBondContact O-CG 3.48Å; D123-M127 PolarHBondContact O-N 3.04Å; Y125-M127 PolarHBondContact O-N 2.97Å; M127-R131 VanDerWaalsContact O-CB 3.24Å; M127-R131 WeakPolarHBondContact O-CB 3.45Å; M127-R131 PolarHBondContact O-N 3.49Å; M127-Y174 HydrophobicContact CB-CE1 4.34Å; M127-Y174 HydrophobicContact CG-CE1 3.58Å; M127-Y335 HydrophobicContact CE-CE2 4.41Å; M127-Y335 HydrophobicContact SD-CE2 3.99Å; M127-F458 HydrophobicContact CG-CE1 4.49Å
128E93.1Very high90.2Very high4 Ų421.2 Ų21.22%0.01911%0.11CC..Hα-helixtrans-69.9-44.9-178.4-166.368.8-17000111.8Y71 R72 G75 R76 I124 Y125 L126 R130 R131 I132Y71-E128 HydrophobicContact CD1-CB 4.34Å; Y71-E128 HydrophobicContact CD1-CG 4.24Å; Y71-E128 HydrophobicContact CE1-CB 4.39Å; Y71-E128 HydrophobicContact CE1-CG 4.28Å; R72-E128 HydrophobicContact CG-CG 4.44Å; G75-E128 VanDerWaalsContact C-OE1 3.25Å; G75-E128 WeakPolarHBondContact CA-OE1 3.31Å; R76-E128 PolarHBondContact N-OE1 3.43Å; I124-E128 WeakPolarHBondContact O-CB 3.48Å; I124-E128 PolarHBondContact O-N 3.48Å; Y125-E128 PolarHBondContact O-N 3.17Å; Y125-E128 VanDerWaalsContact O-N 3.16Å; L126-E128 VanDerWaalsContact C-N 3.28Å; L126-E128 PolarHBondContact O-N 2.66Å; E128-R130 PolarHBondContact O-N 3.35Å; E128-R131 VanDerWaalsContact CD-NE 3.33Å; E128-R131 WeakPolarHBondContact O-CB 3.49Å; E128-R131 PolarHBondContact O-N 2.98Å; E128-R131 IonicContact OE1-CZ 3.67Å; E128-R131 VanDerWaalsContact OE1-CZ 3.23Å; E128-R131 IonicContact OE1-NE 2.65Å; E128-R131 PolarHBondContact OE1-NE 2.96Å; E128-R131 IonicContact OE1-NH2 3.55Å; E128-R131 PolarHBondContact OE1-NH2 3.21Å; E128-R131 IonicContact OE2-NE 2.83Å; E128-R131 PolarHBondContact OE2-NE 3.06Å; E128-R131 VanDerWaalsContact OE2-NE 3.17Å; E128-I132 HydrophobicContact CG-CD1 3.94Å; E128-I132 WeakPolarHBondContact O-CG1 3.12Å; E128-I132 PolarHBondContact O-N 3.39Å
129V95.1Very high89.5Confident0 Ų022 Ų220%011%0.114CC..Hα-helixtrans-56.3-50.3174.6172.20000110.8Y71 Y125 R131 I132 L133 M152 L156Y71-V129 HydrophobicContact CE1-CG2 3.95Å; Y125-V129 HydrophobicContact CD1-CG2 4.29Å; Y125-V129 HydrophobicContact CD2-CG2 4.21Å; Y125-V129 HydrophobicContact CE1-CG2 3.92Å; Y125-V129 HydrophobicContact CE2-CG2 3.84Å; Y125-V129 HydrophobicContact CG-CG2 4.43Å; Y125-V129 WeakPolarHBondContact O-CG2 3.5Å; Y125-V129 PolarHBondContact O-N 3.06Å; V129-R131 VanDerWaalsContact C-N 3.35Å; V129-R131 PolarHBondContact O-N 2.82Å; V129-I132 PolarHBondContact O-N 2.98Å; V129-L133 HydrophobicContact CG1-CD1 3.87Å; V129-L133 HydrophobicContact CG1-CG 4.4Å; V129-L133 WeakPolarHBondContact O-CG 3.38Å; V129-L133 PolarHBondContact O-N 2.94Å; V129-M152 HydrophobicContact CB-CE 4.19Å; V129-M152 HydrophobicContact CG1-CE 4.19Å; V129-M152 HydrophobicContact CG2-CE 4.05Å; V129-L156 HydrophobicContact CG1-CD1 4.13Å; V129-L156 HydrophobicContact CG1-CD2 4.22Å; V129-L156 HydrophobicContact CG1-CG 4.4Å
130R91.2Very high88.9Confident29 Ų2931.1 Ų31.111%0.10915%0.153CC..Hα-helixtrans-58.4-46.5176.7162.5151.5176.7-38.56.2111.8L126 E128 I132 L133 N134 Y174 I176 I179 F458L126-R130 VanDerWaalsContact O-CB 3.29Å; L126-R130 WeakPolarHBondContact O-CB 3.48Å; L126-R130 PolarHBondContact O-N 3.48Å; E128-R130 PolarHBondContact O-N 3.35Å; R130-I132 VanDerWaalsContact C-N 3.32Å; R130-I132 PolarHBondContact O-N 2.89Å; R130-L133 PolarHBondContact O-N 2.98Å; R130-N134 VanDerWaalsContact O-CB 3.29Å; R130-N134 WeakPolarHBondContact O-CB 3.35Å; R130-N134 PolarHBondContact O-N 3.43Å; R130-Y174 WeakPolarHBondContact CD-O 3.3Å; R130-Y174 PolarHBondContact NE-O 2.81Å; R130-Y174 VanDerWaalsContact NE-O 3.11Å; R130-I176 HydrophobicContact CB-CG1 4.43Å; R130-I179 HydrophobicContact CB-CD1 4.41Å; R130-I179 HydrophobicContact CG-CD1 3.56Å; R130-F458 HydrophobicContact CB-CE1 4.07Å; R130-F458 HydrophobicContact CB-CZ 4.32Å; R130-F458 HydrophobicContact CG-CD1 4.48Å; R130-F458 HydrophobicContact CG-CE1 3.48Å; R130-F458 VanDerWaalsContact CG-CE1 3.48Å; R130-F458 HydrophobicContact CG-CZ 3.68Å; R130-F458 VanDerWaalsContact NH1-CD1 3.33Å
131R90.3Very high88.3Confident41 Ų4133.5 Ų33.516%0.15517%0.165CC..Hα-helixtrans-58.2-47.4-179.1-177.1-166.373.8740.4110.8G75 I79 M127 E128 V129 N134 A135G75-R131 PolarHBondContact O-NH2 3.48Å; I79-R131 VanDerWaalsContact O-CZ 3.25Å; I79-R131 PolarHBondContact O-NH1 2.61Å; I79-R131 PolarHBondContact O-NH2 2.76Å; M127-R131 VanDerWaalsContact O-CB 3.24Å; M127-R131 WeakPolarHBondContact O-CB 3.45Å; M127-R131 PolarHBondContact O-N 3.49Å; E128-R131 VanDerWaalsContact CD-NE 3.33Å; E128-R131 WeakPolarHBondContact O-CB 3.49Å; E128-R131 PolarHBondContact O-N 2.98Å; E128-R131 IonicContact OE1-CZ 3.67Å; E128-R131 VanDerWaalsContact OE1-CZ 3.23Å; E128-R131 IonicContact OE1-NE 2.65Å; E128-R131 PolarHBondContact OE1-NE 2.96Å; E128-R131 IonicContact OE1-NH2 3.55Å; E128-R131 PolarHBondContact OE1-NH2 3.21Å; E128-R131 IonicContact OE2-NE 2.83Å; E128-R131 PolarHBondContact OE2-NE 3.06Å; E128-R131 VanDerWaalsContact OE2-NE 3.17Å; V129-R131 VanDerWaalsContact C-N 3.35Å; V129-R131 PolarHBondContact O-N 2.82Å; R131-N134 PolarHBondContact O-N 3.38Å; R131-A135 WeakPolarHBondContact O-CB 3.43Å; R131-A135 PolarHBondContact O-N 3.25Å
132I92.6Very high88.2Confident0 Ų034.4 Ų34.40%018%0.175CC..Hα-helixtrans-64.5-50.9179.5-69.9162.4000110.8I79 L98 E128 V129 R130 N134 A135 I136 L148 M152I79-I132 HydrophobicContact CD1-CB 4.25Å; I79-I132 HydrophobicContact CD1-CG1 4.2Å; I79-I132 HydrophobicContact CD1-CG2 3.47Å; I79-I132 VanDerWaalsContact CD1-CG2 3.47Å; L98-I132 HydrophobicContact CD2-CD1 3.89Å; E128-I132 HydrophobicContact CG-CD1 3.94Å; E128-I132 WeakPolarHBondContact O-CG1 3.12Å; E128-I132 PolarHBondContact O-N 3.39Å; V129-I132 PolarHBondContact O-N 2.98Å; R130-I132 VanDerWaalsContact C-N 3.32Å; R130-I132 PolarHBondContact O-N 2.89Å; I132-N134 PolarHBondContact O-N 3.26Å; I132-A135 PolarHBondContact O-N 2.96Å; I132-I136 HydrophobicContact CG2-CD1 3.46Å; I132-I136 VanDerWaalsContact CG2-CD1 3.46Å; I132-I136 HydrophobicContact CG2-CG1 4.04Å; I132-I136 VanDerWaalsContact O-CG1 3.31Å; I132-I136 WeakPolarHBondContact O-CG1 3.18Å; I132-I136 PolarHBondContact O-N 3.42Å; I132-L148 HydrophobicContact CG2-CD2 4.14Å; I132-M152 HydrophobicContact CB-CE 3.73Å; I132-M152 HydrophobicContact CB-SD 3.82Å; I132-M152 HydrophobicContact CD1-CE 3.5Å; I132-M152 VanDerWaalsContact CD1-CE 3.5Å; I132-M152 HydrophobicContact CD1-SD 4.45Å; I132-M152 HydrophobicContact CG1-CE 4.23Å; I132-M152 HydrophobicContact CG2-CE 3.74Å; I132-M152 HydrophobicContact CG2-SD 3.2Å; I132-M152 WeakPolarHBondContact CG2-SD 3.31Å
133L92Very high88.1Confident0 Ų041.5 Ų41.50%021%0.208CC..Hα-helixtrans-57.6-39.8178.8-71.7174.1000111.9V129 R130 N137 M152 I153 L156 I176 I179 L180V129-L133 HydrophobicContact CG1-CD1 3.87Å; V129-L133 HydrophobicContact CG1-CG 4.4Å; V129-L133 WeakPolarHBondContact O-CG 3.38Å; V129-L133 PolarHBondContact O-N 2.94Å; R130-L133 PolarHBondContact O-N 2.98Å; L133-N137 PolarHBondContact O-N 2.59Å; L133-N137 VanDerWaalsContact O-N 3.16Å; L133-M152 HydrophobicContact CD2-CB 4.01Å; L133-M152 HydrophobicContact CD2-SD 4.22Å; L133-M152 HydrophobicContact CG-SD 4.29Å; L133-I153 HydrophobicContact CD2-CG1 4.03Å; L133-L156 HydrophobicContact CD1-CD1 4.08Å; L133-I176 HydrophobicContact CD1-CG2 4.18Å; L133-I179 HydrophobicContact CB-CG2 4.16Å; L133-L180 HydrophobicContact CD1-CD2 4.35Å; L133-L180 HydrophobicContact CD2-CD2 4.5Å
134N87.3Confident88.3Confident76 Ų7641.5 Ų41.541%0.40621%0.208SC..Hα-helixtrans-66.2-42.3175.7-171.471.3000112.2R130 R131 I132 N137 I179R130-N134 VanDerWaalsContact O-CB 3.29Å; R130-N134 WeakPolarHBondContact O-CB 3.35Å; R130-N134 PolarHBondContact O-N 3.43Å; R131-N134 PolarHBondContact O-N 3.38Å; I132-N134 PolarHBondContact O-N 3.26Å; N134-N137 PolarHBondContact O-N 3.05Å; N134-I179 HydrophobicContact CB-CD1 4.12Å
135A86.7Confident88.4Confident10 Ų1040.7 Ų40.78%0.08320%0.203CC..Hα-helixtrans-65-46.8177.600000111.3I79 R131 I132 N137 T138 M139I79-A135 HydrophobicContact CG2-CB 3.81Å; R131-A135 WeakPolarHBondContact O-CB 3.43Å; R131-A135 PolarHBondContact O-N 3.25Å; I132-A135 PolarHBondContact O-N 2.96Å; A135-N137 PolarHBondContact O-N 2.94Å; A135-T138 PolarHBondContact O-N 2.98Å; A135-T138 PolarHBondContact O-OG1 3.3Å; A135-M139 HydrophobicContact CB-CE 3.94Å; A135-M139 PolarHBondContact O-N 2.94Å
136I87Confident88.2Confident1 Ų144.6 Ų44.61%0.00522%0.218CC..Hα-helixtrans-60.3-35.8179.7-64.2169000111.6I79 I132 T138 M139 M141 V145 L148 T149 Y183I79-I136 HydrophobicContact CD1-CD1 4.19Å; I79-I136 HydrophobicContact CD1-CG1 3.85Å; I132-I136 HydrophobicContact CG2-CD1 3.46Å; I132-I136 VanDerWaalsContact CG2-CD1 3.46Å; I132-I136 HydrophobicContact CG2-CG1 4.04Å; I132-I136 VanDerWaalsContact O-CG1 3.31Å; I132-I136 WeakPolarHBondContact O-CG1 3.18Å; I132-I136 PolarHBondContact O-N 3.42Å; I136-T138 PolarHBondContact O-N 2.81Å; I136-M139 HydrophobicContact CB-SD 4.49Å; I136-M139 HydrophobicContact CG1-SD 4.14Å; I136-M139 WeakPolarHBondContact O-CB 3.2Å; I136-M139 PolarHBondContact O-N 3.28Å; I136-M141 HydrophobicContact CG2-CE 4.09Å; I136-V145 HydrophobicContact CB-CG1 4.35Å; I136-V145 HydrophobicContact CG1-CG1 4.33Å; I136-V145 HydrophobicContact CG2-CG1 3.22Å; I136-L148 HydrophobicContact CD1-CB 4.49Å; I136-L148 HydrophobicContact CD1-CD2 3.76Å; I136-L148 HydrophobicContact CD1-CG 3.9Å; I136-T149 WeakPolarHBondContact CG2-OG1 3.32Å; I136-Y183 WeakPolarHBondContact CG2-OH 3.43Å
137N81.5Confident88.1Confident44 Ų4446.6 Ų46.624%0.23523%0.232CC..THydrogen-bonded Turntrans-59.6-15177-162.931.4000113.5L133 N134 A135 Y183L133-N137 PolarHBondContact O-N 2.59Å; L133-N137 VanDerWaalsContact O-N 3.16Å; N134-N137 PolarHBondContact O-N 3.05Å; A135-N137 PolarHBondContact O-N 2.94Å; N137-Y183 HydrophobicContact CB-CD2 3.78Å; N137-Y183 HydrophobicContact CB-CE2 3.67Å; N137-Y183 WeakPolarHBondContact OD1-CA 3.49Å; N137-Y183 VanDerWaalsContact OD1-CD2 3.25Å; N137-Y183 WeakPolarHBondContact OD1-CD2 3.23Å
138T80Confident88.4Confident80 Ų8044 Ų4449%0.49122%0.219SC..THydrogen-bonded Turntrans-105.2-4.8176.271.70000113.8Y83 A135 I136Y83-T138 WeakPolarHBondContact CE1-OG1 3.28Å; Y83-T138 PolarHBondContact OH-O 3.35Å; Y83-T138 PolarHBondContact OH-OG1 3.11Å; Y83-T138 VanDerWaalsContact OH-OG1 3.12Å; A135-T138 PolarHBondContact O-N 2.98Å; A135-T138 PolarHBondContact O-OG1 3.3Å; I136-T138 PolarHBondContact O-N 2.81Å
139M80.8Confident88.4Confident24 Ų2443.8 Ų43.812%0.11822%0.218CC..SBendtrans-88.4158.6-177.2-69174.3-173.200111.9I79 Y83 A135 I136 M141I79-M139 HydrophobicContact CB-CE 4.42Å; I79-M139 HydrophobicContact CD1-CE 4.12Å; I79-M139 HydrophobicContact CG1-CE 3.98Å; I79-M139 HydrophobicContact CG2-CE 3.57Å; Y83-M139 HydrophobicContact CD2-CE 3.64Å; Y83-M139 HydrophobicContact CE2-CE 3.39Å; Y83-M139 HydrophobicContact CE2-CG 3.72Å; Y83-M139 HydrophobicContact CE2-SD 4.31Å; Y83-M139 HydrophobicContact CG-CE 4.3Å; Y83-M139 WeakPolarHBondContact OH-CG 3.34Å; A135-M139 HydrophobicContact CB-CE 3.94Å; A135-M139 PolarHBondContact O-N 2.94Å; I136-M139 HydrophobicContact CB-SD 4.49Å; I136-M139 HydrophobicContact CG1-SD 4.14Å; I136-M139 WeakPolarHBondContact O-CB 3.2Å; I136-M139 PolarHBondContact O-N 3.28Å; M139-M141 PolarHBondContact O-N 3.16Å
140K82.1Confident88.2Confident195 Ų19544.4 Ų44.485%0.84822%0.221SC*.  trans-67.9127.3162.8-173.8-179.7178.6-175.70109S142K140-S142 VanDerWaalsContact C-N 3.32Å; K140-S142 PolarHBondContact O-N 3.27Å
141M83Confident88.3Confident50 Ų5045.5 Ų45.525%0.24623%0.226CC..  trans-7476.8-177.3-163.162.158.900112.3I136 M139 V145 R146 Y183 C185I136-M141 HydrophobicContact CG2-CE 4.09Å; M139-M141 PolarHBondContact O-N 3.16Å; M141-V145 HydrophobicContact CE-CG1 4.38Å; M141-V145 HydrophobicContact SD-CB 4.36Å; M141-V145 HydrophobicContact SD-CG1 3.76Å; M141-R146 HydrophobicContact CG-CB 4.23Å; M141-R146 HydrophobicContact SD-CB 4.08Å; M141-Y183 HydrophobicContact CE-CE1 4.13Å; M141-C185 HydrophobicContact CE-CB 4.33Å
142S87Confident88.4Confident48 Ų4843.6 Ų43.634%0.33622%0.219SC..  trans-67.4169.4167.872.30000110.9K140 V145 R146K140-S142 VanDerWaalsContact C-N 3.32Å; K140-S142 PolarHBondContact O-N 3.27Å; S142-V145 PolarHBondContact O-N 3.32Å; S142-V145 VanDerWaalsContact OG-CG2 3.26Å; S142-V145 WeakPolarHBondContact OG-CG2 3.34Å; S142-V145 PolarHBondContact OG-N 2.69Å; S142-R146 WeakPolarHBondContact O-CB 3.36Å; S142-R146 PolarHBondContact O-N 3.14Å
143E89.7Confident88.6Confident154 Ų15443.6 Ų43.672%0.7222%0.219SC*.Hα-helixtrans-58.5-46.4175.7-171.2176.8174.400112.4V145 R146 S147E143-V145 VanDerWaalsContact C-N 3.35Å; E143-V145 PolarHBondContact O-N 3Å; E143-R146 WeakPolarHBondContact O-CB 3.28Å; E143-R146 PolarHBondContact O-N 3.45Å; E143-S147 PolarHBondContact O-N 3.15Å; E143-S147 PolarHBondContact O-OG 3.13Å; E143-S147 VanDerWaalsContact O-OG 3.11Å
144L90.7Very high88.5Confident41 Ų4143.7 Ų43.722%0.21522%0.219CC..Hα-helixtrans-62.1-40.4176.9-72171.1000113E92 V95 I96 R146 S147 L148E92-L144 HydrophobicContact CB-CD1 3.51Å; E92-L144 HydrophobicContact CG-CD1 3.43Å; E92-L144 VanDerWaalsContact CG-CD1 3.43Å; V95-L144 HydrophobicContact CG1-CB 4.28Å; I96-L144 HydrophobicContact CD1-CD2 4.4Å; I96-L144 HydrophobicContact CG1-CD2 3.95Å; L144-R146 VanDerWaalsContact C-N 3.35Å; L144-S147 PolarHBondContact O-N 3.26Å; L144-L148 WeakPolarHBondContact O-CB 3.46Å; L144-L148 PolarHBondContact O-N 2.62Å
145V89.2Confident88.8Confident2 Ų240 Ų401%0.01220%0.2CC..Hα-helixtrans-68-37.9178174.70000111.2P90 I136 M141 S142 E143 T149P90-V145 HydrophobicContact CG-CG2 3.68Å; I136-V145 HydrophobicContact CB-CG1 4.35Å; I136-V145 HydrophobicContact CG1-CG1 4.33Å; I136-V145 HydrophobicContact CG2-CG1 3.22Å; M141-V145 HydrophobicContact CE-CG1 4.38Å; M141-V145 HydrophobicContact SD-CB 4.36Å; M141-V145 HydrophobicContact SD-CG1 3.76Å; S142-V145 PolarHBondContact O-N 3.32Å; S142-V145 VanDerWaalsContact OG-CG2 3.26Å; S142-V145 WeakPolarHBondContact OG-CG2 3.34Å; S142-V145 PolarHBondContact OG-N 2.69Å; E143-V145 VanDerWaalsContact C-N 3.35Å; E143-V145 PolarHBondContact O-N 3Å; V145-T149 WeakPolarHBondContact O-CB 3.15Å; V145-T149 PolarHBondContact O-N 3.39Å; V145-T149 PolarHBondContact O-OG1 3.42Å
146R91.2Very high89.3Confident83 Ų8339.6 Ų39.631%0.31320%0.196SC..Hα-helixtrans-61.4-50.4173.2-178.3-168.4-70.599.715.6110.4M141 S142 E143 L144 L148 T149 D150 D187 I190M141-R146 HydrophobicContact CG-CB 4.23Å; M141-R146 HydrophobicContact SD-CB 4.08Å; S142-R146 WeakPolarHBondContact O-CB 3.36Å; S142-R146 PolarHBondContact O-N 3.14Å; E143-R146 WeakPolarHBondContact O-CB 3.28Å; E143-R146 PolarHBondContact O-N 3.45Å; L144-R146 VanDerWaalsContact C-N 3.35Å; R146-L148 PolarHBondContact O-N 3.12Å; R146-T149 WeakPolarHBondContact O-CB 3.04Å; R146-T149 PolarHBondContact O-N 3.43Å; R146-D150 WeakPolarHBondContact O-CB 3.42Å; R146-D150 PolarHBondContact O-N 2.97Å; R146-D187 WeakPolarHBondContact CD-OD2 3.41Å; R146-D187 IonicContact NE-OD2 2.51Å; R146-D187 PolarHBondContact NE-OD2 3.24Å; R146-D187 VanDerWaalsContact NE-OD2 3.09Å; R146-I190 HydrophobicContact CB-CD1 4.32Å; R146-I190 HydrophobicContact CG-CD1 3.54Å; R146-I190 HydrophobicContact CG-CG1 4.49Å
147S91.8Very high89.6Confident41 Ų4139.6 Ų39.629%0.28720%0.196SC..Hα-helixtrans-59.1-46.8177.6-58.40000111.4E143 L144 T149 D150 Y151E143-S147 PolarHBondContact O-N 3.15Å; E143-S147 PolarHBondContact O-OG 3.13Å; E143-S147 VanDerWaalsContact O-OG 3.11Å; L144-S147 PolarHBondContact O-N 3.26Å; S147-T149 VanDerWaalsContact C-N 3.32Å; S147-T149 PolarHBondContact O-N 3.18Å; S147-D150 WeakPolarHBondContact O-CB 3.28Å; S147-D150 PolarHBondContact O-N 3.27Å; S147-Y151 VanDerWaalsContact O-CD2 3.26Å; S147-Y151 WeakPolarHBondContact O-CD2 3.26Å; S147-Y151 PolarHBondContact O-N 3.13Å
148L93.9Very high90.2Very high1 Ų138.2 Ų38.21%0.00519%0.19CC..Hα-helixtrans-57.9-45.2176.117959.7000112I79 V95 L98 I99 I132 I136 L144 R146 D150 Y151 M152I79-L148 HydrophobicContact CD1-CD2 3.77Å; V95-L148 HydrophobicContact CG1-CB 4.02Å; V95-L148 HydrophobicContact CG1-CD2 4.11Å; V95-L148 HydrophobicContact CG2-CD2 4.39Å; L98-L148 HydrophobicContact CD2-CD1 3.76Å; L98-L148 HydrophobicContact CD2-CD2 4.37Å; L98-L148 HydrophobicContact CG-CD1 4.05Å; I99-L148 HydrophobicContact CD1-CB 4.15Å; I99-L148 HydrophobicContact CG1-CB 4.15Å; I99-L148 HydrophobicContact CG1-CD1 3.97Å; I132-L148 HydrophobicContact CG2-CD2 4.14Å; I136-L148 HydrophobicContact CD1-CB 4.49Å; I136-L148 HydrophobicContact CD1-CD2 3.76Å; I136-L148 HydrophobicContact CD1-CG 3.9Å; L144-L148 WeakPolarHBondContact O-CB 3.46Å; L144-L148 PolarHBondContact O-N 2.62Å; R146-L148 PolarHBondContact O-N 3.12Å; L148-D150 VanDerWaalsContact C-N 3.33Å; L148-D150 PolarHBondContact O-N 2.96Å; L148-Y151 PolarHBondContact O-N 3.1Å; L148-M152 HydrophobicContact CD1-CG 4.08Å; L148-M152 HydrophobicContact CD1-SD 4.26Å; L148-M152 HydrophobicContact CG-SD 4.39Å; L148-M152 WeakPolarHBondContact O-CB 3.48Å; L148-M152 VanDerWaalsContact O-CG 3.25Å; L148-M152 WeakPolarHBondContact O-CG 3.31Å; L148-M152 PolarHBondContact O-N 2.83Å
149T93.1Very high90.9Very high0 Ų034.4 Ų34.40%017%0.166CC..Hα-helixtrans-57.3-48.4176.2-55.80000111.2I136 V145 R146 S147 M152 I153 Y183 I190I136-T149 WeakPolarHBondContact CG2-OG1 3.32Å; V145-T149 WeakPolarHBondContact O-CB 3.15Å; V145-T149 PolarHBondContact O-N 3.39Å; V145-T149 PolarHBondContact O-OG1 3.42Å; R146-T149 WeakPolarHBondContact O-CB 3.04Å; R146-T149 PolarHBondContact O-N 3.43Å; S147-T149 VanDerWaalsContact C-N 3.32Å; S147-T149 PolarHBondContact O-N 3.18Å; T149-M152 PolarHBondContact O-N 3.03Å; T149-I153 HydrophobicContact CG2-CD1 3.64Å; T149-I153 HydrophobicContact CG2-CG1 4.37Å; T149-I153 WeakPolarHBondContact O-CG1 3.36Å; T149-I153 PolarHBondContact O-N 2.79Å; T149-Y183 HydrophobicContact CG2-CE1 3.75Å; T149-Y183 WeakPolarHBondContact CG2-OH 3.46Å; T149-Y183 PolarHBondContact OG1-OH 2.93Å; T149-I190 HydrophobicContact CG2-CD1 3.89Å; T149-I190 HydrophobicContact CG2-CG1 4.29Å; T149-I190 HydrophobicContact CG2-CG2 3.91Å
150D91.2Very high91.6Very high12 Ų1233.3 Ų33.36%0.06416%0.161CC..Hα-helixtrans-59.8-50.2-177.6-172.930.5000111.4R146 S147 L148 M152 I153 S154 K189 I190 L235R146-D150 WeakPolarHBondContact O-CB 3.42Å; R146-D150 PolarHBondContact O-N 2.97Å; S147-D150 WeakPolarHBondContact O-CB 3.28Å; S147-D150 PolarHBondContact O-N 3.27Å; L148-D150 VanDerWaalsContact C-N 3.33Å; L148-D150 PolarHBondContact O-N 2.96Å; D150-M152 PolarHBondContact O-N 3.12Å; D150-I153 PolarHBondContact O-N 3.31Å; D150-S154 WeakPolarHBondContact O-CB 3.44Å; D150-S154 PolarHBondContact O-N 3.12Å; D150-S154 PolarHBondContact O-OG 3.44Å; D150-K189 VanDerWaalsContact OD2-CD 3.31Å; D150-K189 WeakPolarHBondContact OD2-CD 3.35Å; D150-K189 WeakPolarHBondContact OD2-CE 3.49Å; D150-K189 IonicContact OD2-NZ 3.9Å; D150-K189 PolarHBondContact OD2-NZ 3.24Å; D150-I190 HydrophobicContact CB-CG1 4.36Å; D150-L235 HydrophobicContact CB-CD1 4.41Å; D150-L235 VanDerWaalsContact OD1-CD1 3.28Å; D150-L235 WeakPolarHBondContact OD1-CD1 3.34Å; D150-L235 WeakPolarHBondContact OD2-CD1 3.46Å
151Y92.4Very high92Very high53 Ų5325 Ų2521%0.20813%0.126CC..Hα-helixtrans-64.8-36.7178.3-82.1-76.9000113.3I99 Q102 Q103 S147 L148 G155 L235I99-Y151 HydrophobicContact CB-CD2 4.46Å; I99-Y151 HydrophobicContact CG1-CD2 4.4Å; I99-Y151 HydrophobicContact CG2-CD1 4.49Å; I99-Y151 HydrophobicContact CG2-CD2 3.41Å; I99-Y151 VanDerWaalsContact CG2-CD2 3.41Å; I99-Y151 HydrophobicContact CG2-CE2 3.55Å; I99-Y151 HydrophobicContact CG2-CG 3.92Å; Q102-Y151 WeakPolarHBondContact CG-O 3.42Å; Q103-Y151 HydrophobicContact CB-CD1 4.21Å; Q103-Y151 HydrophobicContact CB-CE1 4.05Å; Q103-Y151 HydrophobicContact CG-CE1 4.02Å; S147-Y151 VanDerWaalsContact O-CD2 3.26Å; S147-Y151 WeakPolarHBondContact O-CD2 3.26Å; S147-Y151 PolarHBondContact O-N 3.13Å; L148-Y151 PolarHBondContact O-N 3.1Å; Y151-G155 PolarHBondContact O-N 3.16Å; Y151-L235 HydrophobicContact CD1-CD2 3.94Å; Y151-L235 HydrophobicContact CE1-CD2 3.86Å
152M94.3Very high92.5Very high0 Ų022.7 Ų22.70%011%0.114CC..Hα-helixtrans-67.1-49.2177.4-74-165.5116.900112.3Y71 V129 I132 L133 L148 T149 D150 S154 G155 L156Y71-M152 HydrophobicContact CE1-CE 4.49Å; Y71-M152 WeakPolarHBondContact OH-CE 3.34Å; V129-M152 HydrophobicContact CB-CE 4.19Å; V129-M152 HydrophobicContact CG1-CE 4.19Å; V129-M152 HydrophobicContact CG2-CE 4.05Å; I132-M152 HydrophobicContact CB-CE 3.73Å; I132-M152 HydrophobicContact CB-SD 3.82Å; I132-M152 HydrophobicContact CD1-CE 3.5Å; I132-M152 VanDerWaalsContact CD1-CE 3.5Å; I132-M152 HydrophobicContact CD1-SD 4.45Å; I132-M152 HydrophobicContact CG1-CE 4.23Å; I132-M152 HydrophobicContact CG2-CE 3.74Å; I132-M152 HydrophobicContact CG2-SD 3.2Å; I132-M152 WeakPolarHBondContact CG2-SD 3.31Å; L133-M152 HydrophobicContact CD2-CB 4.01Å; L133-M152 HydrophobicContact CD2-SD 4.22Å; L133-M152 HydrophobicContact CG-SD 4.29Å; L148-M152 HydrophobicContact CD1-CG 4.08Å; L148-M152 HydrophobicContact CD1-SD 4.26Å; L148-M152 HydrophobicContact CG-SD 4.39Å; L148-M152 WeakPolarHBondContact O-CB 3.48Å; L148-M152 VanDerWaalsContact O-CG 3.25Å; L148-M152 WeakPolarHBondContact O-CG 3.31Å; L148-M152 PolarHBondContact O-N 2.83Å; T149-M152 PolarHBondContact O-N 3.03Å; D150-M152 PolarHBondContact O-N 3.12Å; M152-S154 VanDerWaalsContact C-N 3.3Å; M152-S154 PolarHBondContact O-N 3.47Å; M152-G155 PolarHBondContact O-N 3.33Å; M152-L156 WeakPolarHBondContact O-CG 3.11Å; M152-L156 PolarHBondContact O-N 3.16Å
153I94.9Very high92.8Very high0 Ų022 Ų220%011%0.105CC..Hα-helixtrans-66.6-38.6-180-60.6173.9000109.9L133 T149 D150 G155 L156 N157 L180 I190 A193 I194 F197L133-I153 HydrophobicContact CD2-CG1 4.03Å; T149-I153 HydrophobicContact CG2-CD1 3.64Å; T149-I153 HydrophobicContact CG2-CG1 4.37Å; T149-I153 WeakPolarHBondContact O-CG1 3.36Å; T149-I153 PolarHBondContact O-N 2.79Å; D150-I153 PolarHBondContact O-N 3.31Å; I153-G155 PolarHBondContact O-N 3.31Å; I153-L156 WeakPolarHBondContact O-CB 3.11Å; I153-L156 PolarHBondContact O-N 3.46Å; I153-L156 VanDerWaalsContact O-N 3.17Å; I153-N157 PolarHBondContact O-N 3.44Å; I153-L180 HydrophobicContact CD1-CD2 3.78Å; I153-L180 HydrophobicContact CG1-CD1 4.48Å; I153-L180 HydrophobicContact CG1-CD2 4.08Å; I153-L180 HydrophobicContact CG2-CD1 4.48Å; I153-I190 HydrophobicContact CD1-CG2 4.24Å; I153-A193 HydrophobicContact CB-CB 4.19Å; I153-A193 HydrophobicContact CG2-CB 3.62Å; I153-I194 HydrophobicContact CD1-CD1 4.21Å; I153-I194 HydrophobicContact CD1-CG1 3.69Å; I153-F197 HydrophobicContact CG2-CB 4.48Å
154S91.7Very high93Very high2 Ų215.8 Ų15.81%0.0148%0.077CC..Hα-helixtrans-66.1-35.4176.7-62.10000112.9D150 M152 L156 N157 T158 L235D150-S154 WeakPolarHBondContact O-CB 3.44Å; D150-S154 PolarHBondContact O-N 3.12Å; D150-S154 PolarHBondContact O-OG 3.44Å; M152-S154 VanDerWaalsContact C-N 3.3Å; M152-S154 PolarHBondContact O-N 3.47Å; S154-L156 VanDerWaalsContact C-N 3.33Å; S154-L156 PolarHBondContact O-N 3.21Å; S154-N157 PolarHBondContact O-N 3.47Å; S154-T158 WeakPolarHBondContact O-CB 3.39Å; S154-T158 PolarHBondContact O-N 3.42Å; S154-T158 PolarHBondContact O-OG1 3.15Å; S154-L235 WeakPolarHBondContact OG-CB 3.45Å; S154-L235 WeakPolarHBondContact OG-CD1 3.36Å
155G93.6Very high93Very high0 Ų021.3 Ų21.30%010%0.102CC..Hα-helixtrans-62.5-38.917100000112.7S106 M109 Y151 M152 I153 T158 A159S106-G155 VanDerWaalsContact OG-CA 3.32Å; S106-G155 WeakPolarHBondContact OG-CA 3.42Å; M109-G155 WeakPolarHBondContact CE-O 3.34Å; Y151-G155 PolarHBondContact O-N 3.16Å; M152-G155 PolarHBondContact O-N 3.33Å; I153-G155 PolarHBondContact O-N 3.31Å; G155-T158 WeakPolarHBondContact O-CB 2.97Å; G155-T158 PolarHBondContact O-N 2.89Å; G155-A159 PolarHBondContact O-N 3.38Å
156L95.9Very high93Very high0 Ų024 Ų240%011%0.113CC..Hα-helixtrans-67-42173.1-61.8178.5000112.1V129 L133 M152 I153 S154 T158 A159 L160 L171 I176 F197V129-L156 HydrophobicContact CG1-CD1 4.13Å; V129-L156 HydrophobicContact CG1-CD2 4.22Å; V129-L156 HydrophobicContact CG1-CG 4.4Å; L133-L156 HydrophobicContact CD1-CD1 4.08Å; M152-L156 WeakPolarHBondContact O-CG 3.11Å; M152-L156 PolarHBondContact O-N 3.16Å; I153-L156 WeakPolarHBondContact O-CB 3.11Å; I153-L156 PolarHBondContact O-N 3.46Å; I153-L156 VanDerWaalsContact O-N 3.17Å; S154-L156 VanDerWaalsContact C-N 3.33Å; S154-L156 PolarHBondContact O-N 3.21Å; L156-T158 VanDerWaalsContact C-N 3.28Å; L156-T158 PolarHBondContact O-N 3.23Å; L156-A159 WeakPolarHBondContact O-CB 3.33Å; L156-A159 PolarHBondContact O-N 2.79Å; L156-A159 VanDerWaalsContact O-N 3.14Å; L156-L160 WeakPolarHBondContact O-CG 3.41Å; L156-L160 PolarHBondContact O-N 3.29Å; L156-L171 HydrophobicContact CD2-CD2 3.74Å; L156-I176 HydrophobicContact CD1-CD1 4.21Å; L156-I176 HydrophobicContact CD1-CG2 3.83Å; L156-I176 HydrophobicContact CD2-CD1 4.46Å; L156-F197 HydrophobicContact CB-CD2 3.9Å; L156-F197 HydrophobicContact CB-CE2 3.91Å; L156-F197 HydrophobicContact CD1-CD2 4.26Å; L156-F197 HydrophobicContact CD1-CE2 3.84Å; L156-F197 HydrophobicContact CG-CE2 4.46Å
157N94.5Very high93.2Very high1 Ų120 Ų201%0.00510%0.099CC..Hα-helixtrans-64.8-32.9175.9-72.8-21.3000112.5I153 S154 A159 L160 I161 A193 I196 F197 Q240I153-N157 PolarHBondContact O-N 3.44Å; S154-N157 PolarHBondContact O-N 3.47Å; N157-A159 VanDerWaalsContact C-N 3.31Å; N157-L160 PolarHBondContact O-N 3.05Å; N157-I161 PolarHBondContact O-N 3.24Å; N157-A193 PolarHBondContact ND2-O 3.19Å; N157-I196 HydrophobicContact CB-CG2 4.17Å; N157-F197 WeakPolarHBondContact OD1-CA 3.32Å; N157-F197 VanDerWaalsContact OD1-CB 3.26Å; N157-F197 WeakPolarHBondContact OD1-CB 3.42Å; N157-F197 PolarHBondContact OD1-N 3.41Å; N157-Q240 PolarHBondContact O-NE2 3.05Å
158T92.7Very high93.2Very high16 Ų1618.7 Ų18.710%0.0989%0.089CC..Hα-helixtrans-62.4-40.4172.5-58.50000110.7M109 T110 S154 G155 L156 I161M109-T158 HydrophobicContact CB-CG2 3.7Å; T110-T158 HydrophobicContact CG2-CG2 3.56Å; S154-T158 WeakPolarHBondContact O-CB 3.39Å; S154-T158 PolarHBondContact O-N 3.42Å; S154-T158 PolarHBondContact O-OG1 3.15Å; G155-T158 WeakPolarHBondContact O-CB 2.97Å; G155-T158 PolarHBondContact O-N 2.89Å; L156-T158 VanDerWaalsContact C-N 3.28Å; L156-T158 PolarHBondContact O-N 3.23Å; T158-I161 WeakPolarHBondContact O-CG2 3.46Å
159A95.1Very high92.9Very high0 Ų022.4 Ų22.40%011%0.106CC..Hα-helixtrans-68.9-34.7174.700000112.7M109 T116 I120 G155 L156 N157 I161 Y162 I167M109-A159 HydrophobicContact SD-CB 4.4Å; T116-A159 HydrophobicContact CG2-CB 3.56Å; I120-A159 HydrophobicContact CD1-CB 3.9Å; I120-A159 HydrophobicContact CG1-CB 3.89Å; G155-A159 PolarHBondContact O-N 3.38Å; L156-A159 WeakPolarHBondContact O-CB 3.33Å; L156-A159 PolarHBondContact O-N 2.79Å; L156-A159 VanDerWaalsContact O-N 3.14Å; N157-A159 VanDerWaalsContact C-N 3.31Å; A159-I161 VanDerWaalsContact C-N 3.29Å; A159-I161 PolarHBondContact O-N 3.48Å; A159-Y162 WeakPolarHBondContact O-CD2 3.49Å; A159-I167 HydrophobicContact CB-CG2 4.02Å
160L95.2Very high92.7Very high1 Ų124.1 Ų24.11%0.00511%0.112CC..Hα-helixtrans-73.8-15.6-178.8-72.6165.6000113.9L156 N157 Y162 E163 I167 T168 L171 F197 F200 T201L156-L160 WeakPolarHBondContact O-CG 3.41Å; L156-L160 PolarHBondContact O-N 3.29Å; N157-L160 PolarHBondContact O-N 3.05Å; L160-Y162 PolarHBondContact O-N 2.82Å; L160-Y162 VanDerWaalsContact O-N 3.13Å; L160-E163 PolarHBondContact O-N 3.33Å; L160-I167 HydrophobicContact CD2-CG2 4.4Å; L160-T168 HydrophobicContact CD2-CG2 4.36Å; L160-L171 HydrophobicContact CD1-CD1 4.06Å; L160-L171 HydrophobicContact CD2-CD1 3.65Å; L160-L171 HydrophobicContact CG-CD1 3.75Å; L160-F197 HydrophobicContact CD1-CD2 3.56Å; L160-F197 HydrophobicContact CD1-CE2 3.86Å; L160-F197 HydrophobicContact CD1-CG 4.24Å; L160-F200 HydrophobicContact CB-CB 4Å; L160-F200 HydrophobicContact CB-CD2 3.78Å; L160-F200 HydrophobicContact CB-CE2 4.37Å; L160-F200 HydrophobicContact CB-CG 3.89Å; L160-F200 HydrophobicContact CD1-CB 3.94Å; L160-F200 HydrophobicContact CD1-CD2 4.43Å; L160-F200 HydrophobicContact CD2-CB 4.02Å; L160-F200 HydrophobicContact CG-CB 4.2Å; L160-T201 HydrophobicContact CD1-CG2 4.14Å; L160-T201 HydrophobicContact CD2-CG2 4.21Å
161I91.8Very high92.8Very high21 Ų2123.6 Ų23.611%0.10811%0.109CC..THydrogen-bonded Turntrans-60.6-24.6178.1-151.9171.5000113.1N157 T158 A159 E163 F239 Q240 K243N157-I161 PolarHBondContact O-N 3.24Å; T158-I161 WeakPolarHBondContact O-CG2 3.46Å; A159-I161 VanDerWaalsContact C-N 3.29Å; A159-I161 PolarHBondContact O-N 3.48Å; I161-E163 PolarHBondContact O-N 3.43Å; I161-F239 HydrophobicContact CD1-CD1 3.62Å; I161-F239 HydrophobicContact CD1-CE1 4.08Å; I161-F239 HydrophobicContact CG1-CD1 4.05Å; I161-F239 HydrophobicContact CG1-CE1 4.09Å; I161-Q240 HydrophobicContact CD1-CB 3.94Å; I161-Q240 HydrophobicContact CD1-CG 4.38Å; I161-Q240 HydrophobicContact CG1-CB 4.36Å; I161-Q240 HydrophobicContact CG1-CG 4.43Å; I161-K243 HydrophobicContact CG1-CD 4.05Å; I161-K243 WeakPolarHBondContact O-CD 3.25Å; I161-K243 WeakPolarHBondContact O-CE 3.17Å
162Y92.5Very high92.4Very high1 Ų123.8 Ų23.80%0.00411%0.11CC..THydrogen-bonded Turntrans-72.9-13.9176.2-67.8-77.2000113M109 S112 I113 T116 A159 L160 N164 I167 F308 C309 M312M109-Y162 VanDerWaalsContact O-CE2 3.32Å; M109-Y162 WeakPolarHBondContact O-CE2 3.5Å; M109-Y162 PolarHBondContact O-OH 3.29Å; S112-Y162 PolarHBondContact N-OH 2.94Å; S112-Y162 PolarHBondContact O-OH 2.86Å; I113-Y162 HydrophobicContact CB-CD1 3.81Å; I113-Y162 HydrophobicContact CB-CE1 3.52Å; I113-Y162 HydrophobicContact CD1-CD1 3.7Å; I113-Y162 HydrophobicContact CD1-CE1 4.31Å; I113-Y162 HydrophobicContact CD1-CG 4.17Å; I113-Y162 HydrophobicContact CG1-CD1 3.69Å; I113-Y162 HydrophobicContact CG1-CE1 3.94Å; I113-Y162 HydrophobicContact CG1-CG 4.03Å; I113-Y162 PolarHBondContact N-OH 3.5Å; T116-Y162 HydrophobicContact CG2-CD2 4.13Å; T116-Y162 HydrophobicContact CG2-CE2 4.04Å; A159-Y162 WeakPolarHBondContact O-CD2 3.49Å; L160-Y162 PolarHBondContact O-N 2.82Å; L160-Y162 VanDerWaalsContact O-N 3.13Å; Y162-N164 PolarHBondContact O-N 3.21Å; Y162-I167 HydrophobicContact CD2-CD1 4.35Å; Y162-F308 HydrophobicContact CD1-CD1 4.12Å; Y162-F308 AromaticContact CD1-CE1 3.53Å; Y162-F308 HydrophobicContact CD1-CE1 3.53Å; Y162-F308 AromaticContact CE1-CE1 3.92Å; Y162-F308 HydrophobicContact CE1-CE1 3.92Å; Y162-F308 HydrophobicContact CG-CE1 4.3Å; Y162-C309 PolarHBondContact O-SG 2.95Å; Y162-M312 HydrophobicContact CE1-CB 4.37Å; Y162-M312 HydrophobicContact CE1-CE 4.01Å; Y162-M312 HydrophobicContact CE1-CG 4.07Å
163E93.5Very high91.9Very high32 Ų3227.9 Ų27.915%0.1513%0.132CC..  trans49.630-176-68.5166.2125.100112.6L160 I161 F200 K243 R246 A305L160-E163 PolarHBondContact O-N 3.33Å; I161-E163 PolarHBondContact O-N 3.43Å; E163-F200 HydrophobicContact CG-CD1 4.18Å; E163-F200 HydrophobicContact CG-CE1 3.81Å; E163-K243 HydrophobicContact CG-CD 4.42Å; E163-K243 IonicContact OE2-NZ 3.46Å; E163-K243 PolarHBondContact OE2-NZ 3.05Å; E163-R246 IonicContact OE1-CZ 2.64Å; E163-R246 IonicContact OE1-NE 2.71Å; E163-R246 PolarHBondContact OE1-NE 3.35Å; E163-R246 IonicContact OE1-NH2 3.45Å; E163-R246 PolarHBondContact OE1-NH2 2.88Å; E163-R246 IonicContact OE2-CZ 3.65Å; E163-R246 IonicContact OE2-NH2 2.7Å; E163-R246 PolarHBondContact OE2-NH2 3.21Å; E163-A305 HydrophobicContact CB-CB 3.55Å
164N93Very high91.4Very high25 Ų2528.2 Ų28.213%0.13413%0.133CC..  trans-83.8124.2-173.7179.3-85.6000110.3Y162 F166 I167 T168Y162-N164 PolarHBondContact O-N 3.21Å; N164-F166 VanDerWaalsContact C-N 3.28Å; N164-F166 PolarHBondContact O-N 2.94Å; N164-F166 VanDerWaalsContact OD1-CB 3.3Å; N164-F166 WeakPolarHBondContact OD1-CB 3.43Å; N164-F166 PolarHBondContact OD1-N 3.37Å; N164-F166 VanDerWaalsContact OD1-N 3.16Å; N164-I167 HydrophobicContact CB-CB 4.28Å; N164-I167 HydrophobicContact CB-CD1 3.99Å; N164-I167 HydrophobicContact CB-CG1 4.14Å; N164-I167 PolarHBondContact O-N 2.79Å; N164-I167 PolarHBondContact OD1-N 3.13Å; N164-T168 PolarHBondContact O-N 2.87Å; N164-T168 PolarHBondContact O-OG1 2.9Å
165E90.6Very high91.2Very high156 Ų15628.5 Ų28.573%0.72914%0.135SC*.Hα-helixtrans-58.6-37.4-174.3-175.1171.7-166.400113.1T168 Q169E165-T168 PolarHBondContact O-N 2.98Å; E165-Q169 WeakPolarHBondContact O-CB 3.46Å; E165-Q169 PolarHBondContact O-N 3.06Å
166F90.9Very high91Very high59 Ų5928.5 Ų28.526%0.25914%0.135SC..Hα-helixtrans-62.6-47.1176167.9-89000111.4R117 K121 N164 Q169 R170R117-F166 HydrophobicContact CB-CE1 4.48Å; R117-F166 HydrophobicContact CG-CD1 4.44Å; K121-F166 HydrophobicContact CB-CE1 4.14Å; K121-F166 HydrophobicContact CB-CZ 3.75Å; K121-F166 HydrophobicContact CD-CZ 4.11Å; K121-F166 HydrophobicContact CG-CZ 3.89Å; N164-F166 VanDerWaalsContact C-N 3.28Å; N164-F166 PolarHBondContact O-N 2.94Å; N164-F166 VanDerWaalsContact OD1-CB 3.3Å; N164-F166 WeakPolarHBondContact OD1-CB 3.43Å; N164-F166 PolarHBondContact OD1-N 3.37Å; N164-F166 VanDerWaalsContact OD1-N 3.16Å; F166-Q169 PolarHBondContact O-N 3.32Å; F166-R170 HydrophobicContact CD1-CG 4.36Å; F166-R170 HydrophobicContact CD2-CG 4.32Å; F166-R170 HydrophobicContact CE1-CG 3.98Å; F166-R170 HydrophobicContact CE2-CG 3.95Å; F166-R170 HydrophobicContact CZ-CG 3.75Å; F166-R170 WeakPolarHBondContact O-CB 3.35Å; F166-R170 WeakPolarHBondContact O-CG 3.23Å; F166-R170 PolarHBondContact O-N 2.73Å
167I94.1Very high90.7Very high0 Ų030.5 Ų30.50%014%0.143CC..Hα-helixtrans-59.5-51.5177.9-67.9177.3000110.2T116 R117 I120 A159 L160 Y162 N164 Q169 R170 L171T116-I167 HydrophobicContact CG2-CD1 3.72Å; R117-I167 HydrophobicContact CG-CD1 4.14Å; R117-I167 HydrophobicContact CG-CG1 4.2Å; I120-I167 HydrophobicContact CG1-CG2 4.28Å; I120-I167 HydrophobicContact CG2-CB 4.48Å; I120-I167 HydrophobicContact CG2-CG2 4.21Å; A159-I167 HydrophobicContact CB-CG2 4.02Å; L160-I167 HydrophobicContact CD2-CG2 4.4Å; Y162-I167 HydrophobicContact CD2-CD1 4.35Å; N164-I167 HydrophobicContact CB-CB 4.28Å; N164-I167 HydrophobicContact CB-CD1 3.99Å; N164-I167 HydrophobicContact CB-CG1 4.14Å; N164-I167 PolarHBondContact O-N 2.79Å; N164-I167 PolarHBondContact OD1-N 3.13Å; I167-Q169 VanDerWaalsContact C-N 3.33Å; I167-Q169 PolarHBondContact O-N 2.94Å; I167-R170 PolarHBondContact O-N 2.91Å; I167-L171 HydrophobicContact CG2-CD1 4.03Å; I167-L171 WeakPolarHBondContact O-CG 3.24Å; I167-L171 PolarHBondContact O-N 3.35Å
168T92Very high90.4Very high13 Ų1331.8 Ų31.88%0.0815%0.152CC..Hα-helixtrans-62.4-41.7-178.1-49.90000111.3L160 N164 E165 L171 R172 F200 T201L160-T168 HydrophobicContact CD2-CG2 4.36Å; N164-T168 PolarHBondContact O-N 2.87Å; N164-T168 PolarHBondContact O-OG1 2.9Å; E165-T168 PolarHBondContact O-N 2.98Å; T168-L171 PolarHBondContact O-N 3.33Å; T168-R172 WeakPolarHBondContact O-CG 3.43Å; T168-R172 PolarHBondContact O-N 2.79Å; T168-F200 WeakPolarHBondContact CG2-O 3.5Å; T168-T201 HydrophobicContact CG2-CG2 4.18Å
169Q88Confident90.2Very high79 Ų7931.1 Ų31.137%0.36915%0.148SC..Hα-helixtrans-63.3-44.2177.5-173.757.441.100111.7E165 F166 I167 L171 R172 D173E165-Q169 WeakPolarHBondContact O-CB 3.46Å; E165-Q169 PolarHBondContact O-N 3.06Å; F166-Q169 PolarHBondContact O-N 3.32Å; I167-Q169 VanDerWaalsContact C-N 3.33Å; I167-Q169 PolarHBondContact O-N 2.94Å; Q169-L171 VanDerWaalsContact C-N 3.33Å; Q169-L171 PolarHBondContact O-N 2.93Å; Q169-R172 CarbonylContact O-C 3.43Å; Q169-R172 WeakPolarHBondContact O-CA 3.29Å; Q169-R172 WeakPolarHBondContact O-CB 3.41Å; Q169-R172 PolarHBondContact O-N 3.02Å; Q169-R172 VanDerWaalsContact O-N 3.11Å; Q169-D173 PolarHBondContact NE2-OD1 3.39Å; Q169-D173 PolarHBondContact O-N 3.09Å
170R89.5Confident90Very high35 Ų3531.2 Ų31.213%0.13215%0.148CC..Hα-helixtrans-60.4-42.1177.5-72.9-68.7-64.3153.8-12.2112.3I120 K121 D123 L126 F166 I167 R172 D173 Y174I120-R170 HydrophobicContact CG2-CB 3.64Å; I120-R170 HydrophobicContact CG2-CG 4.34Å; I120-R170 PolarHBondContact O-NE 3.26Å; K121-R170 PolarHBondContact O-NH2 3.18Å; D123-R170 IonicContact OD1-CZ 3.04Å; D123-R170 IonicContact OD1-NH1 3.78Å; D123-R170 IonicContact OD1-NH2 3.77Å; D123-R170 PolarHBondContact OD1-NH2 3.41Å; L126-R170 HydrophobicContact CD1-CB 4.37Å; F166-R170 HydrophobicContact CD1-CG 4.36Å; F166-R170 HydrophobicContact CD2-CG 4.32Å; F166-R170 HydrophobicContact CE1-CG 3.98Å; F166-R170 HydrophobicContact CE2-CG 3.95Å; F166-R170 HydrophobicContact CZ-CG 3.75Å; F166-R170 WeakPolarHBondContact O-CB 3.35Å; F166-R170 WeakPolarHBondContact O-CG 3.23Å; F166-R170 PolarHBondContact O-N 2.73Å; I167-R170 PolarHBondContact O-N 2.91Å; R170-R172 VanDerWaalsContact C-N 3.3Å; R170-R172 PolarHBondContact O-N 2.99Å; R170-D173 PolarHBondContact O-N 2.94Å; R170-Y174 WeakPolarHBondContact O-CD2 3.42Å; R170-Y174 PolarHBondContact O-N 2.84Å
171L91.7Very high89.7Confident1 Ų135.3 Ų35.31%0.00517%0.173CC..Hα-helixtrans-65.7-33.4176.5-66173.5000112.4I120 L126 L156 L160 I167 T168 Q169 I176 F197I120-L171 HydrophobicContact CD1-CD2 4.23Å; I120-L171 HydrophobicContact CG2-CG 4.42Å; L126-L171 HydrophobicContact CD2-CD2 3.8Å; L156-L171 HydrophobicContact CD2-CD2 3.74Å; L160-L171 HydrophobicContact CD1-CD1 4.06Å; L160-L171 HydrophobicContact CD2-CD1 3.65Å; L160-L171 HydrophobicContact CG-CD1 3.75Å; I167-L171 HydrophobicContact CG2-CD1 4.03Å; I167-L171 WeakPolarHBondContact O-CG 3.24Å; I167-L171 PolarHBondContact O-N 3.35Å; T168-L171 PolarHBondContact O-N 3.33Å; Q169-L171 VanDerWaalsContact C-N 3.33Å; Q169-L171 PolarHBondContact O-N 2.93Å; L171-I176 HydrophobicContact CD2-CD1 3.77Å; L171-I176 PolarHBondContact O-N 3.44Å; L171-F197 HydrophobicContact CB-CZ 4.43Å; L171-F197 HydrophobicContact CD1-CE2 4.21Å
172R84.7Confident89.4Confident58 Ų5841.6 Ų41.622%0.21920%0.196CC..Hα-helixtrans-68.1-44.3171.1-73-170.4-67.3-108.80.9112.5T168 Q169 R170 Y174 S175T168-R172 WeakPolarHBondContact O-CG 3.43Å; T168-R172 PolarHBondContact O-N 2.79Å; Q169-R172 CarbonylContact O-C 3.43Å; Q169-R172 WeakPolarHBondContact O-CA 3.29Å; Q169-R172 WeakPolarHBondContact O-CB 3.41Å; Q169-R172 PolarHBondContact O-N 3.02Å; Q169-R172 VanDerWaalsContact O-N 3.11Å; R170-R172 VanDerWaalsContact C-N 3.3Å; R170-R172 PolarHBondContact O-N 2.99Å; R172-Y174 PolarHBondContact O-N 3.18Å; R172-Y174 VanDerWaalsContact O-N 3.15Å; R172-S175 WeakPolarHBondContact O-CA 3.39Å; R172-S175 PolarHBondContact O-N 2.69Å
173D82.8Confident89.1Confident85 Ų8542.6 Ų42.646%0.45520%0.2SC..Hα-helixtrans-58.5-30.1178.8-64.7-18.8000112.1Q169 R170 S175Q169-D173 PolarHBondContact NE2-OD1 3.39Å; Q169-D173 PolarHBondContact O-N 3.09Å; R170-D173 PolarHBondContact O-N 2.94Å; D173-S175 VanDerWaalsContact C-N 3.3Å
174Y86.1Confident88.4Confident8 Ų846.7 Ų46.73%0.03123%0.227CC..THydrogen-bonded Turntrans-83.90175.1-88-92000114.1D123 L126 M127 R130 R170 R172 I176 F458D123-Y174 VanDerWaalsContact CA-OH 3.23Å; D123-Y174 WeakPolarHBondContact CA-OH 3.36Å; D123-Y174 WeakPolarHBondContact CB-OH 3.39Å; D123-Y174 PolarHBondContact OD1-OH 2.95Å; L126-Y174 HydrophobicContact CB-CD1 3.78Å; L126-Y174 HydrophobicContact CB-CD2 3.94Å; L126-Y174 HydrophobicContact CB-CE1 3.81Å; L126-Y174 HydrophobicContact CB-CE2 3.94Å; L126-Y174 HydrophobicContact CB-CG 3.86Å; L126-Y174 HydrophobicContact CD1-CD2 3.48Å; L126-Y174 VanDerWaalsContact CD1-CD2 3.48Å; L126-Y174 HydrophobicContact CD1-CE2 3.76Å; L126-Y174 HydrophobicContact CD1-CG 4.02Å; L126-Y174 HydrophobicContact CG-CD2 4.39Å; M127-Y174 HydrophobicContact CB-CE1 4.34Å; M127-Y174 HydrophobicContact CG-CE1 3.58Å; R130-Y174 WeakPolarHBondContact CD-O 3.3Å; R130-Y174 PolarHBondContact NE-O 2.81Å; R130-Y174 VanDerWaalsContact NE-O 3.11Å; R170-Y174 WeakPolarHBondContact O-CD2 3.42Å; R170-Y174 PolarHBondContact O-N 2.84Å; R172-Y174 PolarHBondContact O-N 3.18Å; R172-Y174 VanDerWaalsContact O-N 3.15Å; Y174-I176 PolarHBondContact O-N 2.7Å; Y174-I176 VanDerWaalsContact O-N 3.08Å; Y174-F458 HydrophobicContact CD1-CE1 4.29Å; Y174-F458 HydrophobicContact CE1-CE1 4.48Å
175S85.9Confident87.9Confident8 Ų846.4 Ų46.46%0.05623%0.226CC..THydrogen-bonded Turntrans53.928.2-180-44.90000113.7R172 D173 R177 S178R172-S175 WeakPolarHBondContact O-CA 3.39Å; R172-S175 PolarHBondContact O-N 2.69Å; D173-S175 VanDerWaalsContact C-N 3.3Å; S175-R177 PolarHBondContact O-N 3.15Å; S175-S178 WeakPolarHBondContact O-CB 3.13Å; S175-S178 PolarHBondContact O-N 3.1Å; S175-S178 VanDerWaalsContact O-N 3.09Å; S175-S178 PolarHBondContact O-OG 2.64Å
176I90.6Very high87.6Confident0 Ų049.5 Ų49.50%023%0.232CC..Hα-helixtrans-61.3-38.5179.5-65.3176.1000110.1L126 R130 L133 L156 L171 Y174 S178 I179 L180 F197L126-I176 HydrophobicContact CD2-CD1 4.31Å; R130-I176 HydrophobicContact CB-CG1 4.43Å; L133-I176 HydrophobicContact CD1-CG2 4.18Å; L156-I176 HydrophobicContact CD1-CD1 4.21Å; L156-I176 HydrophobicContact CD1-CG2 3.83Å; L156-I176 HydrophobicContact CD2-CD1 4.46Å; L171-I176 HydrophobicContact CD2-CD1 3.77Å; L171-I176 PolarHBondContact O-N 3.44Å; Y174-I176 PolarHBondContact O-N 2.7Å; Y174-I176 VanDerWaalsContact O-N 3.08Å; I176-S178 VanDerWaalsContact C-N 3.28Å; I176-S178 PolarHBondContact O-N 2.86Å; I176-I179 WeakPolarHBondContact O-CB 3.38Å; I176-I179 PolarHBondContact O-N 3Å; I176-L180 HydrophobicContact CG2-CD1 3.95Å; I176-L180 HydrophobicContact CG2-CG 4.18Å; I176-L180 PolarHBondContact O-N 3.33Å; I176-F197 HydrophobicContact CB-CZ 3.93Å; I176-F197 HydrophobicContact CG2-CE1 4.11Å; I176-F197 HydrophobicContact CG2-CE2 4.04Å; I176-F197 HydrophobicContact CG2-CZ 3.55Å
177R89.9Confident87.4Confident41 Ų4148.6 Ų48.616%0.15523%0.229CC..Hα-helixtrans-50.3-47.3172.5178.6172.3167.2-178.3-8112.2S175 I179 L180 T181 F197 L198 T201 Y202 Q207S175-R177 PolarHBondContact O-N 3.15Å; R177-I179 PolarHBondContact O-N 3.48Å; R177-L180 PolarHBondContact O-N 2.71Å; R177-T181 PolarHBondContact O-N 3.4Å; R177-T181 PolarHBondContact O-OG1 3.4Å; R177-F197 HydrophobicContact CB-CE1 4.14Å; R177-L198 HydrophobicContact CG-CD2 3.74Å; R177-T201 PolarHBondContact NH1-O 3.48Å; R177-Y202 VanDerWaalsContact CZ-CD1 3.48Å; R177-Y202 VanDerWaalsContact NH2-CD1 3.34Å; R177-Q207 VanDerWaalsContact NH1-OE1 3.14Å; R177-Q207 VanDerWaalsContact NH2-NE2 3.15Å
178S87.2Confident87Confident29 Ų2952.1 Ų52.120%0.20325%0.252CS..Hα-helixtrans-60.9-30.7179.780.20000113.3S175 I176 R182S175-S178 WeakPolarHBondContact O-CB 3.13Å; S175-S178 PolarHBondContact O-N 3.1Å; S175-S178 VanDerWaalsContact O-N 3.09Å; S175-S178 PolarHBondContact O-OG 2.64Å; I176-S178 VanDerWaalsContact C-N 3.28Å; I176-S178 PolarHBondContact O-N 2.86Å; S178-R182 PolarHBondContact O-NE 3.47Å; S178-R182 PolarHBondContact O-NH2 2.95Å; S178-R182 VanDerWaalsContact O-NH2 3.14Å; S178-R182 PolarHBondContact OG-NH2 3.18Å
179I88.9Confident86.7Confident2 Ų255 Ų551%0.0126%0.263CS..Hα-helixtrans-73.8-49.5176.8-63.8166.5000109.2R130 L133 N134 I176 R177 T181 R182 Y183R130-I179 HydrophobicContact CB-CD1 4.41Å; R130-I179 HydrophobicContact CG-CD1 3.56Å; L133-I179 HydrophobicContact CB-CG2 4.16Å; N134-I179 HydrophobicContact CB-CD1 4.12Å; I176-I179 WeakPolarHBondContact O-CB 3.38Å; I176-I179 PolarHBondContact O-N 3Å; R177-I179 PolarHBondContact O-N 3.48Å; I179-T181 PolarHBondContact O-N 2.94Å; I179-R182 PolarHBondContact O-N 2.85Å; I179-R182 VanDerWaalsContact O-N 3.16Å; I179-Y183 PolarHBondContact O-N 3.37Å
180L92Very high86.8Confident2 Ų251.2 Ų51.21%0.0125%0.246CC..Hα-helixtrans-70.2-32.6-175.4-63.2-176.4000113.2L133 I153 I176 R177 R182 Y183 I194 F197L133-L180 HydrophobicContact CD1-CD2 4.35Å; L133-L180 HydrophobicContact CD2-CD2 4.5Å; I153-L180 HydrophobicContact CD1-CD2 3.78Å; I153-L180 HydrophobicContact CG1-CD1 4.48Å; I153-L180 HydrophobicContact CG1-CD2 4.08Å; I153-L180 HydrophobicContact CG2-CD1 4.48Å; I176-L180 HydrophobicContact CG2-CD1 3.95Å; I176-L180 HydrophobicContact CG2-CG 4.18Å; I176-L180 PolarHBondContact O-N 3.33Å; R177-L180 PolarHBondContact O-N 2.71Å; L180-R182 PolarHBondContact O-N 2.96Å; L180-Y183 VanDerWaalsContact O-CB 3.26Å; L180-Y183 WeakPolarHBondContact O-CB 3.43Å; L180-Y183 PolarHBondContact O-N 3.22Å; L180-I194 HydrophobicContact CB-CG2 4.19Å; L180-I194 HydrophobicContact CD2-CG1 4.35Å; L180-F197 HydrophobicContact CD1-CB 4.15Å; L180-F197 HydrophobicContact CD1-CD1 3.52Å; L180-F197 HydrophobicContact CD1-CD2 4.06Å; L180-F197 HydrophobicContact CD1-CE1 3.88Å; L180-F197 HydrophobicContact CD1-CE2 4.37Å; L180-F197 HydrophobicContact CD1-CG 3.62Å; L180-F197 HydrophobicContact CD1-CZ 4.3Å
181T88.4Confident86.8Confident87 Ų8753.6 Ų53.653%0.53426%0.257SS..Hα-helixtrans-63.4-27.4172.6-56.60000112.7R177 I179R177-T181 PolarHBondContact O-N 3.4Å; R177-T181 PolarHBondContact O-OG1 3.4Å; I179-T181 PolarHBondContact O-N 2.94Å
182R85.8Confident86.7Confident153 Ų15353.7 Ų53.758%0.57726%0.258SS*.THydrogen-bonded Turntrans-94.24.6178.6-68-176.3-67.8-127.9-4.9113.3S178 I179 L180S178-R182 PolarHBondContact O-NE 3.47Å; S178-R182 PolarHBondContact O-NH2 2.95Å; S178-R182 VanDerWaalsContact O-NH2 3.14Å; S178-R182 PolarHBondContact OG-NH2 3.18Å; I179-R182 PolarHBondContact O-N 2.85Å; I179-R182 VanDerWaalsContact O-N 3.16Å; L180-R182 PolarHBondContact O-N 2.96Å
183Y85.5Confident87Confident22 Ų2250.9 Ų50.99%0.08625%0.247CC..  trans-75.6131.7-176.2-146.6-104.4000110.7I136 N137 M141 T149 I179 L180 C185 I190 I194I136-Y183 WeakPolarHBondContact CG2-OH 3.43Å; N137-Y183 HydrophobicContact CB-CD2 3.78Å; N137-Y183 HydrophobicContact CB-CE2 3.67Å; N137-Y183 WeakPolarHBondContact OD1-CA 3.49Å; N137-Y183 VanDerWaalsContact OD1-CD2 3.25Å; N137-Y183 WeakPolarHBondContact OD1-CD2 3.23Å; M141-Y183 HydrophobicContact CE-CE1 4.13Å; T149-Y183 HydrophobicContact CG2-CE1 3.75Å; T149-Y183 WeakPolarHBondContact CG2-OH 3.46Å; T149-Y183 PolarHBondContact OG1-OH 2.93Å; I179-Y183 PolarHBondContact O-N 3.37Å; L180-Y183 VanDerWaalsContact O-CB 3.26Å; L180-Y183 WeakPolarHBondContact O-CB 3.43Å; L180-Y183 PolarHBondContact O-N 3.22Å; Y183-C185 HydrophobicContact CD1-CB 3.66Å; Y183-C185 HydrophobicContact CE1-CB 3.59Å; Y183-I190 HydrophobicContact CD1-CG2 4.24Å; Y183-I190 HydrophobicContact CE1-CG2 4.02Å; Y183-I194 HydrophobicContact CD1-CD1 3.63Å; Y183-I194 HydrophobicContact CG-CD1 3.95Å
184T79.3Confident87.5Confident118 Ų11847.7 Ų47.772%0.72423%0.23SC*.  trans-109.213.6-171.457.20000114.4R186T184-R186 PolarHBondContact O-N 3.16Å
185C81.4Confident87.8Confident18 Ų1848.1 Ų48.112%0.12223%0.234CC..  trans-62.6134.5-179.2-168.50000112.1M141 Y183 D187 I190 K191M141-C185 HydrophobicContact CE-CB 4.33Å; Y183-C185 HydrophobicContact CD1-CB 3.66Å; Y183-C185 HydrophobicContact CE1-CB 3.59Å; C185-D187 WeakPolarHBondContact SG-CB 3.41Å; C185-D187 PolarHBondContact SG-N 2.87Å; C185-I190 HydrophobicContact CB-CG2 4.1Å; C185-K191 WeakPolarHBondContact O-CE 3.44Å
186R84.8Confident88.1Confident222 Ų22247.8 Ų47.884%0.83823%0.231SC*.  trans-87.9-8178.2-66.2-174.1-177.4177.20.3113.7T184T184-R186 PolarHBondContact O-N 3.16Å
187D86.7Confident88.3Confident39 Ų3947.8 Ų47.821%0.20923%0.231CC..  trans-63.8123.3-178.8-170.8-81.2000111.1R146 C185 K189 I190 K191R146-D187 WeakPolarHBondContact CD-OD2 3.41Å; R146-D187 IonicContact NE-OD2 2.51Å; R146-D187 PolarHBondContact NE-OD2 3.24Å; R146-D187 VanDerWaalsContact NE-OD2 3.09Å; C185-D187 WeakPolarHBondContact SG-CB 3.41Å; C185-D187 PolarHBondContact SG-N 2.87Å; D187-K189 VanDerWaalsContact C-N 3.32Å; D187-K189 PolarHBondContact O-N 3.03Å; D187-K189 VanDerWaalsContact OD1-CB 3.31Å; D187-K189 WeakPolarHBondContact OD1-CB 3.38Å; D187-K189 PolarHBondContact OD1-N 3.07Å; D187-I190 HydrophobicContact CB-CB 4.16Å; D187-I190 HydrophobicContact CB-CD1 4.1Å; D187-I190 HydrophobicContact CB-CG1 4.24Å; D187-I190 PolarHBondContact O-N 2.97Å; D187-I190 PolarHBondContact OD1-N 3.46Å; D187-K191 WeakPolarHBondContact O-CG 2.95Å; D187-K191 PolarHBondContact O-N 3.36Å
188P86.3Confident88.5Confident74 Ų7446.6 Ų46.648%0.48123%0.228SC..Hα-helixtrans-59.8-39.3-177.8-24.233.9000113.3K191 L192 L217P188-K191 PolarHBondContact O-N 2.86Å; P188-L192 WeakPolarHBondContact O-CB 3.47Å; P188-L192 PolarHBondContact O-N 3.47Å; P188-L217 HydrophobicContact CB-CD1 3.7Å; P188-L217 HydrophobicContact CB-CD2 4.4Å; P188-L217 WeakPolarHBondContact O-CD2 3.36Å
189K85.2Confident88.9Confident73 Ų7345.4 Ų45.432%0.31722%0.219SC..Hα-helixtrans-66.2-44.9-178.2-167.2-179-177-163.50110.9D150 D187 L192 A193 F236D150-K189 VanDerWaalsContact OD2-CD 3.31Å; D150-K189 WeakPolarHBondContact OD2-CD 3.35Å; D150-K189 WeakPolarHBondContact OD2-CE 3.49Å; D150-K189 IonicContact OD2-NZ 3.9Å; D150-K189 PolarHBondContact OD2-NZ 3.24Å; D187-K189 VanDerWaalsContact C-N 3.32Å; D187-K189 PolarHBondContact O-N 3.03Å; D187-K189 VanDerWaalsContact OD1-CB 3.31Å; D187-K189 WeakPolarHBondContact OD1-CB 3.38Å; D187-K189 PolarHBondContact OD1-N 3.07Å; K189-L192 PolarHBondContact O-N 3.22Å; K189-A193 WeakPolarHBondContact O-CB 3.42Å; K189-A193 PolarHBondContact O-N 3.06Å; K189-F236 HydrophobicContact CG-CE2 4.29Å
190I89.7Confident89.1Confident0 Ų046.1 Ų46.10%022%0.222CC..Hα-helixtrans-65.2-42.1175.7-66.5174.8000111.2R146 T149 D150 I153 Y183 C185 D187 L192 A193 I194R146-I190 HydrophobicContact CB-CD1 4.32Å; R146-I190 HydrophobicContact CG-CD1 3.54Å; R146-I190 HydrophobicContact CG-CG1 4.49Å; T149-I190 HydrophobicContact CG2-CD1 3.89Å; T149-I190 HydrophobicContact CG2-CG1 4.29Å; T149-I190 HydrophobicContact CG2-CG2 3.91Å; D150-I190 HydrophobicContact CB-CG1 4.36Å; I153-I190 HydrophobicContact CD1-CG2 4.24Å; Y183-I190 HydrophobicContact CD1-CG2 4.24Å; Y183-I190 HydrophobicContact CE1-CG2 4.02Å; C185-I190 HydrophobicContact CB-CG2 4.1Å; D187-I190 HydrophobicContact CB-CB 4.16Å; D187-I190 HydrophobicContact CB-CD1 4.1Å; D187-I190 HydrophobicContact CB-CG1 4.24Å; D187-I190 PolarHBondContact O-N 2.97Å; D187-I190 PolarHBondContact OD1-N 3.46Å; I190-L192 VanDerWaalsContact C-N 3.31Å; I190-L192 PolarHBondContact O-N 3.09Å; I190-A193 WeakPolarHBondContact O-CB 3.45Å; I190-A193 PolarHBondContact O-N 2.91Å; I190-I194 HydrophobicContact CG2-CD1 3.8Å; I190-I194 HydrophobicContact CG2-CG1 4.36Å; I190-I194 VanDerWaalsContact O-CG1 3.3Å; I190-I194 WeakPolarHBondContact O-CG1 3.46Å; I190-I194 PolarHBondContact O-N 3.33Å
191K90.2Very high89Confident85 Ų8546.1 Ų46.137%0.3722%0.222SC..Hα-helixtrans-58.3-45.6176.3-80.6-179.6169.9-176.80111.5C185 D187 P188 I194 T195 L217C185-K191 WeakPolarHBondContact O-CE 3.44Å; D187-K191 WeakPolarHBondContact O-CG 2.95Å; D187-K191 PolarHBondContact O-N 3.36Å; P188-K191 PolarHBondContact O-N 2.86Å; K191-I194 PolarHBondContact O-N 3.42Å; K191-T195 PolarHBondContact O-N 3.05Å; K191-T195 PolarHBondContact O-OG1 3.14Å; K191-L217 HydrophobicContact CB-CD2 3.97Å
192L89.8Confident89Confident3 Ų344.5 Ų44.52%0.01621%0.207CC..Hα-helixtrans-62.4-45.7176176.663.4000111.5P188 K189 I190 I194 T195 I196 L217 F218 C221 F236 F241P188-L192 WeakPolarHBondContact O-CB 3.47Å; P188-L192 PolarHBondContact O-N 3.47Å; K189-L192 PolarHBondContact O-N 3.22Å; I190-L192 VanDerWaalsContact C-N 3.31Å; I190-L192 PolarHBondContact O-N 3.09Å; L192-I194 VanDerWaalsContact C-N 3.27Å; L192-I194 PolarHBondContact O-N 3.41Å; L192-T195 WeakPolarHBondContact O-CB 3.43Å; L192-T195 PolarHBondContact O-N 3.47Å; L192-T195 VanDerWaalsContact O-N 3.13Å; L192-I196 HydrophobicContact CD1-CD1 4.1Å; L192-I196 HydrophobicContact CD1-CG1 4.32Å; L192-I196 HydrophobicContact CG-CD1 3.99Å; L192-I196 WeakPolarHBondContact O-CG1 3.34Å; L192-I196 PolarHBondContact O-N 3.43Å; L192-L217 HydrophobicContact CB-CD2 4.23Å; L192-L217 HydrophobicContact CB-CG 4.4Å; L192-F218 HydrophobicContact CD1-CB 4.37Å; L192-F218 HydrophobicContact CD1-CD2 3.86Å; L192-C221 HydrophobicContact CD2-CB 3.71Å; L192-C221 VanDerWaalsContact CD2-SG 3.53Å; L192-F236 HydrophobicContact CD2-CE2 4.22Å; L192-F241 HydrophobicContact CD1-CE1 4.34Å; L192-F241 HydrophobicContact CD1-CZ 4.28Å; L192-F241 HydrophobicContact CD2-CE1 4.43Å; L192-F241 HydrophobicContact CD2-CZ 3.67Å; L192-F241 HydrophobicContact CG-CZ 4.4Å
193A91.3Very high88.8Confident0 Ų042 Ų420%021%0.208CC..Hα-helixtrans-56.5-41.9176.200000112I153 N157 K189 I190 F197 F236I153-A193 HydrophobicContact CB-CB 4.19Å; I153-A193 HydrophobicContact CG2-CB 3.62Å; N157-A193 PolarHBondContact ND2-O 3.19Å; K189-A193 WeakPolarHBondContact O-CB 3.42Å; K189-A193 PolarHBondContact O-N 3.06Å; I190-A193 WeakPolarHBondContact O-CB 3.45Å; I190-A193 PolarHBondContact O-N 2.91Å; A193-F197 PolarHBondContact O-N 3.22Å; A193-F236 HydrophobicContact CB-CE1 4.28Å; A193-F236 HydrophobicContact CB-CZ 3.82Å
194I92.9Very high88.8Confident17 Ų1745.1 Ų45.19%0.08723%0.226CC..Hα-helixtrans-66-46.8175.5-69.5168.8000110.7I153 L180 Y183 I190 K191 L192 I196 F197 L198I153-I194 HydrophobicContact CD1-CD1 4.21Å; I153-I194 HydrophobicContact CD1-CG1 3.69Å; L180-I194 HydrophobicContact CB-CG2 4.19Å; L180-I194 HydrophobicContact CD2-CG1 4.35Å; Y183-I194 HydrophobicContact CD1-CD1 3.63Å; Y183-I194 HydrophobicContact CG-CD1 3.95Å; I190-I194 HydrophobicContact CG2-CD1 3.8Å; I190-I194 HydrophobicContact CG2-CG1 4.36Å; I190-I194 VanDerWaalsContact O-CG1 3.3Å; I190-I194 WeakPolarHBondContact O-CG1 3.46Å; I190-I194 PolarHBondContact O-N 3.33Å; K191-I194 PolarHBondContact O-N 3.42Å; L192-I194 VanDerWaalsContact C-N 3.27Å; L192-I194 PolarHBondContact O-N 3.41Å; I194-I196 VanDerWaalsContact C-N 3.29Å; I194-I196 PolarHBondContact O-N 3.47Å; I194-F197 WeakPolarHBondContact O-CB 3.45Å; I194-F197 PolarHBondContact O-N 2.91Å; I194-L198 HydrophobicContact CG2-CD1 3.72Å; I194-L198 HydrophobicContact CG2-CG 4.05Å; I194-L198 WeakPolarHBondContact O-CB 3.37Å; I194-L198 VanDerWaalsContact O-CG 3.27Å; I194-L198 WeakPolarHBondContact O-CG 3.46Å; I194-L198 PolarHBondContact O-N 3.24Å
195T92.2Very high89.3Confident18 Ų1841.6 Ų41.611%0.1120%0.203CC..Hα-helixtrans-55.2-47177-61.60000110.7K191 L192 F197 L198 T199 L210K191-T195 PolarHBondContact O-N 3.05Å; K191-T195 PolarHBondContact O-OG1 3.14Å; L192-T195 WeakPolarHBondContact O-CB 3.43Å; L192-T195 PolarHBondContact O-N 3.47Å; L192-T195 VanDerWaalsContact O-N 3.13Å; T195-F197 PolarHBondContact O-N 3.34Å; T195-L198 PolarHBondContact O-N 2.88Å; T195-T199 PolarHBondContact O-N 3.06Å; T195-T199 PolarHBondContact O-OG1 2.84Å; T195-L210 HydrophobicContact CG2-CD1 4.06Å; T195-L210 HydrophobicContact CG2-CD2 3.91Å
196I92.8Very high89.5Confident0 Ų044.7 Ų44.70%023%0.225CC..Hα-helixtrans-59-48.3176.9-69.6169.1000111.2N157 L192 I194 L198 T199 F200 F236 V244N157-I196 HydrophobicContact CB-CG2 4.17Å; L192-I196 HydrophobicContact CD1-CD1 4.1Å; L192-I196 HydrophobicContact CD1-CG1 4.32Å; L192-I196 HydrophobicContact CG-CD1 3.99Å; L192-I196 WeakPolarHBondContact O-CG1 3.34Å; L192-I196 PolarHBondContact O-N 3.43Å; I194-I196 VanDerWaalsContact C-N 3.29Å; I194-I196 PolarHBondContact O-N 3.47Å; I196-L198 VanDerWaalsContact C-N 3.33Å; I196-L198 PolarHBondContact O-N 2.87Å; I196-T199 PolarHBondContact O-N 2.94Å; I196-F200 HydrophobicContact CG2-CD2 3.97Å; I196-F200 HydrophobicContact CG2-CE2 3.79Å; I196-F200 VanDerWaalsContact O-CD2 3.28Å; I196-F200 WeakPolarHBondContact O-CD2 3.09Å; I196-F200 PolarHBondContact O-N 3.33Å; I196-F236 HydrophobicContact CD1-CD1 3.46Å; I196-F236 VanDerWaalsContact CD1-CD1 3.46Å; I196-F236 HydrophobicContact CD1-CE1 3.39Å; I196-F236 HydrophobicContact CD1-CG 4.36Å; I196-F236 HydrophobicContact CD1-CZ 4.22Å; I196-V244 HydrophobicContact CB-CG2 4.27Å; I196-V244 HydrophobicContact CG1-CG1 4.23Å; I196-V244 HydrophobicContact CG1-CG2 4.03Å; I196-V244 HydrophobicContact CG2-CG2 3.72Å
197F94.5Very high89.7Confident0 Ų037.3 Ų37.30%020%0.2CC..Hα-helixtrans-58.8-46.1177.5-179.8-83.7000111.6I153 L156 N157 L160 L171 I176 R177 L180 A193 I194 T195 F200 T201I153-F197 HydrophobicContact CG2-CB 4.48Å; L156-F197 HydrophobicContact CB-CD2 3.9Å; L156-F197 HydrophobicContact CB-CE2 3.91Å; L156-F197 HydrophobicContact CD1-CD2 4.26Å; L156-F197 HydrophobicContact CD1-CE2 3.84Å; L156-F197 HydrophobicContact CG-CE2 4.46Å; N157-F197 WeakPolarHBondContact OD1-CA 3.32Å; N157-F197 VanDerWaalsContact OD1-CB 3.26Å; N157-F197 WeakPolarHBondContact OD1-CB 3.42Å; N157-F197 PolarHBondContact OD1-N 3.41Å; L160-F197 HydrophobicContact CD1-CD2 3.56Å; L160-F197 HydrophobicContact CD1-CE2 3.86Å; L160-F197 HydrophobicContact CD1-CG 4.24Å; L171-F197 HydrophobicContact CB-CZ 4.43Å; L171-F197 HydrophobicContact CD1-CE2 4.21Å; I176-F197 HydrophobicContact CB-CZ 3.93Å; I176-F197 HydrophobicContact CG2-CE1 4.11Å; I176-F197 HydrophobicContact CG2-CE2 4.04Å; I176-F197 HydrophobicContact CG2-CZ 3.55Å; R177-F197 HydrophobicContact CB-CE1 4.14Å; L180-F197 HydrophobicContact CD1-CB 4.15Å; L180-F197 HydrophobicContact CD1-CD1 3.52Å; L180-F197 HydrophobicContact CD1-CD2 4.06Å; L180-F197 HydrophobicContact CD1-CE1 3.88Å; L180-F197 HydrophobicContact CD1-CE2 4.37Å; L180-F197 HydrophobicContact CD1-CG 3.62Å; L180-F197 HydrophobicContact CD1-CZ 4.3Å; A193-F197 PolarHBondContact O-N 3.22Å; I194-F197 WeakPolarHBondContact O-CB 3.45Å; I194-F197 PolarHBondContact O-N 2.91Å; T195-F197 PolarHBondContact O-N 3.34Å; F197-F200 PolarHBondContact O-N 3.46Å; F197-T201 HydrophobicContact CD1-CG2 4.28Å; F197-T201 HydrophobicContact CE1-CG2 3.84Å; F197-T201 HydrophobicContact CE2-CG2 4.4Å; F197-T201 HydrophobicContact CZ-CG2 3.91Å; F197-T201 WeakPolarHBondContact O-CB 3.43Å; F197-T201 WeakPolarHBondContact O-CG2 3.36Å; F197-T201 PolarHBondContact O-N 2.99Å; F197-T201 PolarHBondContact O-OG1 3.33Å
198L93.8Very high89.9Confident17 Ų1735.7 Ų35.79%0.08919%0.191CC..Hα-helixtrans-64.4-43.6-179.6-67.7178.6000110.8R177 I194 T195 I196 F200 T201 Y202R177-L198 HydrophobicContact CG-CD2 3.74Å; I194-L198 HydrophobicContact CG2-CD1 3.72Å; I194-L198 HydrophobicContact CG2-CG 4.05Å; I194-L198 WeakPolarHBondContact O-CB 3.37Å; I194-L198 VanDerWaalsContact O-CG 3.27Å; I194-L198 WeakPolarHBondContact O-CG 3.46Å; I194-L198 PolarHBondContact O-N 3.24Å; T195-L198 PolarHBondContact O-N 2.88Å; I196-L198 VanDerWaalsContact C-N 3.33Å; I196-L198 PolarHBondContact O-N 2.87Å; L198-F200 PolarHBondContact O-N 3.32Å; L198-T201 CarbonylContact O-C 3.54Å; L198-T201 PolarHBondContact O-N 2.92Å; L198-T201 PolarHBondContact O-OG1 3.13Å; L198-Y202 HydrophobicContact CB-CE1 4.36Å; L198-Y202 HydrophobicContact CB-CE2 4.03Å; L198-Y202 WeakPolarHBondContact O-CD2 3.48Å; L198-Y202 WeakPolarHBondContact O-CE2 3.16Å; L198-Y202 VanDerWaalsContact O-CG 3.26Å; L198-Y202 PolarHBondContact O-N 3.18Å
199T94.6Very high90.1Very high3 Ų335.3 Ų35.32%0.01819%0.185CC..Hα-helixtrans-52.8-50.7176.4-62.80000112T195 I196 T201 L208 V244 I247 L248T195-T199 PolarHBondContact O-N 3.06Å; T195-T199 PolarHBondContact O-OG1 2.84Å; I196-T199 PolarHBondContact O-N 2.94Å; T199-T201 VanDerWaalsContact C-N 3.25Å; T199-T201 PolarHBondContact O-N 3.47Å; T199-L208 HydrophobicContact CG2-CD2 3.98Å; T199-V244 HydrophobicContact CG2-CG1 3.92Å; T199-I247 HydrophobicContact CG2-CB 3.68Å; T199-I247 HydrophobicContact CG2-CD1 4.47Å; T199-I247 HydrophobicContact CG2-CG2 3.55Å; T199-L248 HydrophobicContact CG2-CD2 3.98Å; T199-L248 HydrophobicContact CG2-CG 3.86Å; T199-L248 WeakPolarHBondContact OG1-CD2 3.26Å
200F93.6Very high90.4Very high18 Ų1832.6 Ų32.68%0.07917%0.174CC..Hα-helixtrans-69.1-21.2179.4-76.5-62.1000114L160 E163 T168 I196 F197 L198 Q240 K243 V244 I247L160-F200 HydrophobicContact CB-CB 4Å; L160-F200 HydrophobicContact CB-CD2 3.78Å; L160-F200 HydrophobicContact CB-CE2 4.37Å; L160-F200 HydrophobicContact CB-CG 3.89Å; L160-F200 HydrophobicContact CD1-CB 3.94Å; L160-F200 HydrophobicContact CD1-CD2 4.43Å; L160-F200 HydrophobicContact CD2-CB 4.02Å; L160-F200 HydrophobicContact CG-CB 4.2Å; E163-F200 HydrophobicContact CG-CD1 4.18Å; E163-F200 HydrophobicContact CG-CE1 3.81Å; T168-F200 WeakPolarHBondContact CG2-O 3.5Å; I196-F200 HydrophobicContact CG2-CD2 3.97Å; I196-F200 HydrophobicContact CG2-CE2 3.79Å; I196-F200 VanDerWaalsContact O-CD2 3.28Å; I196-F200 WeakPolarHBondContact O-CD2 3.09Å; I196-F200 PolarHBondContact O-N 3.33Å; F197-F200 PolarHBondContact O-N 3.46Å; L198-F200 PolarHBondContact O-N 3.32Å; F200-Q240 HydrophobicContact CE2-CG 4.38Å; F200-K243 HydrophobicContact CE1-CB 4.14Å; F200-K243 HydrophobicContact CZ-CB 3.94Å; F200-V244 HydrophobicContact CD2-CG2 4.28Å; F200-V244 HydrophobicContact CE2-CG2 3.51Å; F200-V244 HydrophobicContact CZ-CG2 3.73Å; F200-I247 HydrophobicContact CD1-CD1 3.57Å; F200-I247 HydrophobicContact CE1-CD1 3.68Å
201T91.3Very high90.4Very high1 Ų140.4 Ų40.41%0.00621%0.208CC..Hα-helixtrans-106.84.7-175.159.50000113.9L160 T168 R177 F197 L198 T199L160-T201 HydrophobicContact CD1-CG2 4.14Å; L160-T201 HydrophobicContact CD2-CG2 4.21Å; T168-T201 HydrophobicContact CG2-CG2 4.18Å; R177-T201 PolarHBondContact NH1-O 3.48Å; F197-T201 HydrophobicContact CD1-CG2 4.28Å; F197-T201 HydrophobicContact CE1-CG2 3.84Å; F197-T201 HydrophobicContact CE2-CG2 4.4Å; F197-T201 HydrophobicContact CZ-CG2 3.91Å; F197-T201 WeakPolarHBondContact O-CB 3.43Å; F197-T201 WeakPolarHBondContact O-CG2 3.36Å; F197-T201 PolarHBondContact O-N 2.99Å; F197-T201 PolarHBondContact O-OG1 3.33Å; L198-T201 CarbonylContact O-C 3.54Å; L198-T201 PolarHBondContact O-N 2.92Å; L198-T201 PolarHBondContact O-OG1 3.13Å; T199-T201 VanDerWaalsContact C-N 3.25Å; T199-T201 PolarHBondContact O-N 3.47Å
202Y86.8Confident90.4Very high54 Ų5443.5 Ų43.521%0.21222%0.224CC..  trans-65.3147.3171.2-72.9-50.5000112R177 L198 Q207 L208R177-Y202 VanDerWaalsContact CZ-CD1 3.48Å; R177-Y202 VanDerWaalsContact NH2-CD1 3.34Å; L198-Y202 HydrophobicContact CB-CE1 4.36Å; L198-Y202 HydrophobicContact CB-CE2 4.03Å; L198-Y202 WeakPolarHBondContact O-CD2 3.48Å; L198-Y202 WeakPolarHBondContact O-CE2 3.16Å; L198-Y202 VanDerWaalsContact O-CG 3.26Å; L198-Y202 PolarHBondContact O-N 3.18Å; Y202-Q207 HydrophobicContact CD1-CB 3.22Å; Y202-Q207 HydrophobicContact CD1-CG 4.21Å; Y202-Q207 HydrophobicContact CD2-CB 4.46Å; Y202-Q207 HydrophobicContact CE1-CB 3.48Å; Y202-Q207 VanDerWaalsContact CE1-CB 3.48Å; Y202-Q207 WeakPolarHBondContact CE1-O 3.41Å; Y202-Q207 WeakPolarHBondContact CE2-O 3.26Å; Y202-Q207 HydrophobicContact CG-CB 3.8Å; Y202-Q207 PolarHBondContact OH-O 3.48Å; Y202-Q207 VanDerWaalsContact OH-O 3.14Å; Y202-L208 HydrophobicContact CD2-CD2 3.43Å; Y202-L208 VanDerWaalsContact CD2-CD2 3.43Å; Y202-L208 HydrophobicContact CD2-CG 3.99Å; Y202-L208 HydrophobicContact CE2-CD2 4.12Å; Y202-L208 HydrophobicContact CG-CD2 4.31Å
203T81.5Confident90.3Very high99 Ų9950.6 Ų50.661%0.60726%0.257SS*.SBendtrans-113-12-179.553.10000111.9Q207T203-Q207 PolarHBondContact OG1-OE1 3.21Å
204D86.6Confident90.2Very high88 Ų8852.3 Ų52.347%0.47127%0.269SS..SBendtrans-143.2139.1-176.7-171-65.4000108.8S206 Q207D204-S206 PolarHBondContact O-N 3.35Å; D204-S206 VanDerWaalsContact OD1-CB 3.26Å; D204-S206 WeakPolarHBondContact OD1-CB 3.43Å; D204-S206 PolarHBondContact OD1-N 3.17Å; D204-S206 PolarHBondContact OD1-OG 2.8Å; D204-Q207 HydrophobicContact CB-CG 4.2Å; D204-Q207 WeakPolarHBondContact O-CB 3.26Å; D204-Q207 PolarHBondContact O-N 2.88Å; D204-Q207 VanDerWaalsContact O-N 3.14Å
205I89.2Confident90.1Very high44 Ų4451.7 Ų51.723%0.22627%0.265CS..G310 helixtrans-59.8-36-177.3-64.3175.7000111.1Q207 L208 L250 D251 N294 I298I205-Q207 PolarHBondContact O-N 3.2Å; I205-L208 HydrophobicContact CB-CD1 4.44Å; I205-L208 HydrophobicContact CG2-CD1 4.23Å; I205-L208 VanDerWaalsContact O-CB 3.26Å; I205-L208 WeakPolarHBondContact O-CB 3.35Å; I205-L208 PolarHBondContact O-N 2.95Å; I205-L250 HydrophobicContact CD1-CB 4.34Å; I205-L250 HydrophobicContact CG1-CB 4.35Å; I205-L250 HydrophobicContact CG2-CB 4.33Å; I205-L250 WeakPolarHBondContact CG2-O 3.14Å; I205-D251 HydrophobicContact CG2-CB 4.05Å; I205-N294 HydrophobicContact CD1-CB 3.91Å; I205-I298 HydrophobicContact CD1-CD1 4.1Å
206S86.8Confident90Very high84 Ų8454.8 Ų54.859%0.58728%0.279SS*.G310 helixtrans-59.5-17.6179.862.80000114D204D204-S206 PolarHBondContact O-N 3.35Å; D204-S206 VanDerWaalsContact OD1-CB 3.26Å; D204-S206 WeakPolarHBondContact OD1-CB 3.43Å; D204-S206 PolarHBondContact OD1-N 3.17Å; D204-S206 PolarHBondContact OD1-OG 2.8Å
207Q87.1Confident89.8Confident66 Ų6656.5 Ų56.531%0.30829%0.288SS..G310 helixtrans-86.3-13178.4-53.9-177.5-3800112.7R177 Y202 T203 D204 I205 N209R177-Q207 VanDerWaalsContact NH1-OE1 3.14Å; R177-Q207 VanDerWaalsContact NH2-NE2 3.15Å; Y202-Q207 HydrophobicContact CD1-CB 3.22Å; Y202-Q207 HydrophobicContact CD1-CG 4.21Å; Y202-Q207 HydrophobicContact CD2-CB 4.46Å; Y202-Q207 HydrophobicContact CE1-CB 3.48Å; Y202-Q207 VanDerWaalsContact CE1-CB 3.48Å; Y202-Q207 WeakPolarHBondContact CE1-O 3.41Å; Y202-Q207 WeakPolarHBondContact CE2-O 3.26Å; Y202-Q207 HydrophobicContact CG-CB 3.8Å; Y202-Q207 PolarHBondContact OH-O 3.48Å; Y202-Q207 VanDerWaalsContact OH-O 3.14Å; T203-Q207 PolarHBondContact OG1-OE1 3.21Å; D204-Q207 HydrophobicContact CB-CG 4.2Å; D204-Q207 WeakPolarHBondContact O-CB 3.26Å; D204-Q207 PolarHBondContact O-N 2.88Å; D204-Q207 VanDerWaalsContact O-N 3.14Å; I205-Q207 PolarHBondContact O-N 3.2Å; Q207-N209 VanDerWaalsContact C-N 3.34Å
208L90.9Very high89.6Confident5 Ų556.5 Ų56.53%0.02629%0.288CS..  trans-75.8-22.6-179.3-69.7164.4000113.1T199 Y202 I205 L210 I247 L248 L250 D251 N254T199-L208 HydrophobicContact CG2-CD2 3.98Å; Y202-L208 HydrophobicContact CD2-CD2 3.43Å; Y202-L208 VanDerWaalsContact CD2-CD2 3.43Å; Y202-L208 HydrophobicContact CD2-CG 3.99Å; Y202-L208 HydrophobicContact CE2-CD2 4.12Å; Y202-L208 HydrophobicContact CG-CD2 4.31Å; I205-L208 HydrophobicContact CB-CD1 4.44Å; I205-L208 HydrophobicContact CG2-CD1 4.23Å; I205-L208 VanDerWaalsContact O-CB 3.26Å; I205-L208 WeakPolarHBondContact O-CB 3.35Å; I205-L208 PolarHBondContact O-N 2.95Å; L208-L210 WeakPolarHBondContact O-CG 3.33Å; L208-L210 PolarHBondContact O-N 3.33Å; L208-I247 HydrophobicContact CD1-CG2 4.34Å; L208-I247 WeakPolarHBondContact CD1-O 3.21Å; L208-I247 HydrophobicContact CD2-CG2 3.75Å; L208-L248 HydrophobicContact CD2-CD2 4.07Å; L208-L250 HydrophobicContact CD1-CB 4.02Å; L208-D251 HydrophobicContact CB-CB 3.91Å; L208-N254 PolarHBondContact O-ND2 3.4Å
209N91.4Very high89.3Confident67 Ų6756 Ų5636%0.35829%0.285SS..  trans-52.2115.2-178-175.6-43.3000110.9Q207 E253Q207-N209 VanDerWaalsContact C-N 3.34Å; N209-E253 VanDerWaalsContact ND2-CD 3.28Å; N209-E253 PolarHBondContact ND2-OE2 3.01Å
210L91.2Very high88.9Confident16 Ų1660.1 Ų60.18%0.08431%0.307CS..  trans-95.7143.8-179.2-64.9-173000110.5T195 L208 I215 L248 N254T195-L210 HydrophobicContact CG2-CD1 4.06Å; T195-L210 HydrophobicContact CG2-CD2 3.91Å; L208-L210 WeakPolarHBondContact O-CG 3.33Å; L208-L210 PolarHBondContact O-N 3.33Å; L210-I215 HydrophobicContact CB-CD1 4.3Å; L210-I215 HydrophobicContact CB-CG1 3.68Å; L210-I215 HydrophobicContact CD1-CG1 4.33Å; L210-L248 HydrophobicContact CD1-CD1 3.66Å; L210-L248 HydrophobicContact CD1-CD2 3.73Å; L210-L248 HydrophobicContact CD1-CG 4.32Å; L210-L248 HydrophobicContact CD2-CD2 4.12Å; L210-L248 HydrophobicContact CG-CD2 3.82Å; L210-N254 PolarHBondContact N-OD1 3.38Å
211K90.3Very high88.4Confident164 Ų16460.8 Ų60.871%0.71331%0.314SS*.  trans-64.4149165.5-62.2-176.9179.8-177.60109.9E213 S214 I215K211-E213 VanDerWaalsContact C-N 3.26Å; K211-E213 PolarHBondContact O-N 3.3Å; K211-S214 WeakPolarHBondContact O-CA 3.49Å; K211-S214 WeakPolarHBondContact O-CB 3.47Å; K211-S214 PolarHBondContact O-N 2.59Å; K211-I215 PolarHBondContact O-N 2.85Å; K211-I215 VanDerWaalsContact O-N 3.1Å
212E89.2Confident88.1Confident149 Ų14960.8 Ų60.870%0.69631%0.314SS*.Hα-helixtrans-49.8-44178.8-172.2177.7-176.900113S214 I215 E216E212-S214 VanDerWaalsContact C-N 3.25Å; E212-S214 PolarHBondContact O-N 3.37Å; E212-I215 PolarHBondContact O-N 3.14Å; E212-E216 WeakPolarHBondContact O-CB 3.5Å; E212-E216 PolarHBondContact O-N 3.3Å
213E88.5Confident87.9Confident152 Ų15260.8 Ų60.871%0.7132%0.317SS*.Hα-helixtrans-57.1-36.3175.7-63.9178.9-172.800113.2K211 L217K211-E213 VanDerWaalsContact C-N 3.26Å; K211-E213 PolarHBondContact O-N 3.3Å; E213-L217 WeakPolarHBondContact O-CB 3.27Å; E213-L217 PolarHBondContact O-N 3.08Å
214S89.6Confident87.8Confident36 Ų3661.6 Ų61.625%0.25231%0.31SS..Hα-helixtrans-77-36179-63.60000112K211 E212 E216 F218K211-S214 WeakPolarHBondContact O-CA 3.49Å; K211-S214 WeakPolarHBondContact O-CB 3.47Å; K211-S214 PolarHBondContact O-N 2.59Å; E212-S214 VanDerWaalsContact C-N 3.25Å; E212-S214 PolarHBondContact O-N 3.37Å; S214-E216 VanDerWaalsContact C-N 3.34Å; S214-F218 WeakPolarHBondContact O-CB 3.46Å; S214-F218 PolarHBondContact O-N 3.27Å
215I90.8Very high87.2Confident4 Ų457.8 Ų57.82%0.02129%0.289CS..Hα-helixtrans-62.3-46.7173.3-64.6179.8000109.4L210 K211 E212 F218 L219 E257 F258L210-I215 HydrophobicContact CB-CD1 4.3Å; L210-I215 HydrophobicContact CB-CG1 3.68Å; L210-I215 HydrophobicContact CD1-CG1 4.33Å; K211-I215 PolarHBondContact O-N 2.85Å; K211-I215 VanDerWaalsContact O-N 3.1Å; E212-I215 PolarHBondContact O-N 3.14Å; I215-F218 PolarHBondContact O-N 2.9Å; I215-L219 HydrophobicContact CG2-CD1 3.98Å; I215-L219 WeakPolarHBondContact O-CG 3.18Å; I215-L219 PolarHBondContact O-N 3.02Å; I215-E257 HydrophobicContact CD1-CB 3.92Å; I215-E257 HydrophobicContact CD1-CG 3.94Å; I215-F258 HydrophobicContact CG2-CD1 4.31Å; I215-F258 HydrophobicContact CG2-CE1 3.8Å
216E90.6Very high86.6Confident84 Ų8456.9 Ų56.939%0.39329%0.285SS..Hα-helixtrans-63.3-44.6179.7-169.854.1-145.200111.8E212 S214 F218 L219 N220 R261E212-E216 WeakPolarHBondContact O-CB 3.5Å; E212-E216 PolarHBondContact O-N 3.3Å; S214-E216 VanDerWaalsContact C-N 3.34Å; E216-F218 PolarHBondContact O-N 3.47Å; E216-L219 PolarHBondContact O-N 3.43Å; E216-N220 WeakPolarHBondContact O-CB 3.38Å; E216-N220 PolarHBondContact O-N 3.36Å; E216-N220 PolarHBondContact O-ND2 3.02Å; E216-N220 PolarHBondContact OE1-ND2 3.5Å; E216-R261 IonicContact OE2-CZ 3.69Å; E216-R261 IonicContact OE2-NH1 3.46Å; E216-R261 PolarHBondContact OE2-NH1 2.96Å
217L88.4Confident86.2Confident35 Ų3557.8 Ų57.818%0.18328%0.283CS..Hα-helixtrans-60.2-45.1174.2176.860.8000112.1P188 K191 L192 E213 C221P188-L217 HydrophobicContact CB-CD1 3.7Å; P188-L217 HydrophobicContact CB-CD2 4.4Å; P188-L217 WeakPolarHBondContact O-CD2 3.36Å; K191-L217 HydrophobicContact CB-CD2 3.97Å; L192-L217 HydrophobicContact CB-CD2 4.23Å; L192-L217 HydrophobicContact CB-CG 4.4Å; E213-L217 WeakPolarHBondContact O-CB 3.27Å; E213-L217 PolarHBondContact O-N 3.08Å; L217-C221 PolarHBondContact O-N 2.99Å
218F89.4Confident85.3Confident0 Ų061 Ų610%030%0.298CS..Hα-helixtrans-60.7-45.8178.9-179.6-92000111.5L192 S214 I215 E216 C221 F222 F241 V244 L245 L248 F258L192-F218 HydrophobicContact CD1-CB 4.37Å; L192-F218 HydrophobicContact CD1-CD2 3.86Å; S214-F218 WeakPolarHBondContact O-CB 3.46Å; S214-F218 PolarHBondContact O-N 3.27Å; I215-F218 PolarHBondContact O-N 2.9Å; E216-F218 PolarHBondContact O-N 3.47Å; F218-C221 PolarHBondContact O-N 3.17Å; F218-F222 WeakPolarHBondContact O-CB 3.4Å; F218-F222 PolarHBondContact O-N 2.89Å; F218-F241 HydrophobicContact CD2-CD1 4.06Å; F218-F241 AromaticContact CD2-CE1 3.79Å; F218-F241 HydrophobicContact CD2-CE1 3.79Å; F218-F241 HydrophobicContact CE1-CD1 4.12Å; F218-F241 AromaticContact CE2-CD1 3.45Å; F218-F241 HydrophobicContact CE2-CD1 3.45Å; F218-F241 VanDerWaalsContact CE2-CD1 3.45Å; F218-F241 AromaticContact CE2-CE1 3.66Å; F218-F241 HydrophobicContact CE2-CE1 3.66Å; F218-F241 HydrophobicContact CE2-CG 4.43Å; F218-F241 HydrophobicContact CG-CE1 4.32Å; F218-F241 AromaticContact CZ-CD1 3.5Å; F218-F241 HydrophobicContact CZ-CD1 3.5Å; F218-F241 HydrophobicContact CZ-CE1 4.1Å; F218-F241 HydrophobicContact CZ-CG 4.44Å; F218-V244 HydrophobicContact CD2-CG1 4.38Å; F218-V244 HydrophobicContact CE2-CB 3.99Å; F218-V244 HydrophobicContact CE2-CG1 3.51Å; F218-V244 HydrophobicContact CZ-CB 4.24Å; F218-V244 HydrophobicContact CZ-CG1 4.04Å; F218-L245 HydrophobicContact CE1-CB 4.19Å; F218-L245 HydrophobicContact CE1-CD1 4.13Å; F218-L245 HydrophobicContact CZ-CB 4.08Å; F218-L248 HydrophobicContact CD2-CD1 4.46Å; F218-L248 HydrophobicContact CE2-CD1 4.36Å; F218-L248 HydrophobicContact CZ-CD1 4.47Å; F218-F258 HydrophobicContact CD1-CE1 4.2Å; F218-F258 HydrophobicContact CD1-CZ 4.45Å
219L88.1Confident83.8Confident7 Ų762.1 Ų62.14%0.03731%0.311CS..Hα-helixtrans-72.9-37.5-177.1-69.9176000113.5I215 E216 C221 F222 D223 F258 R261 V263I215-L219 HydrophobicContact CG2-CD1 3.98Å; I215-L219 WeakPolarHBondContact O-CG 3.18Å; I215-L219 PolarHBondContact O-N 3.02Å; E216-L219 PolarHBondContact O-N 3.43Å; L219-C221 VanDerWaalsContact C-N 3.28Å; L219-C221 PolarHBondContact O-N 3.05Å; L219-F222 HydrophobicContact CD2-CD1 4.41Å; L219-F222 WeakPolarHBondContact O-CB 3.46Å; L219-F222 PolarHBondContact O-N 2.85Å; L219-D223 WeakPolarHBondContact O-CB 3.46Å; L219-D223 PolarHBondContact O-N 3.34Å; L219-F258 HydrophobicContact CD1-CD1 4.02Å; L219-F258 HydrophobicContact CD1-CE1 4.21Å; L219-F258 HydrophobicContact CD2-CD1 3.98Å; L219-F258 HydrophobicContact CD2-CE1 4.1Å; L219-F258 HydrophobicContact CG-CD1 4.24Å; L219-F258 HydrophobicContact CG-CE1 4.12Å; L219-R261 HydrophobicContact CD1-CG 4.43Å; L219-V263 HydrophobicContact CD1-CG2 4.43Å; L219-V263 HydrophobicContact CD2-CG2 3.62Å
220N86.5Confident81.9Confident89 Ų8962 Ų6248%0.47631%0.309SS..Hα-helixtrans-59.4-41.8173.7-77.9-54.1000111.6E216 Y224E216-N220 WeakPolarHBondContact O-CB 3.38Å; E216-N220 PolarHBondContact O-N 3.36Å; E216-N220 PolarHBondContact O-ND2 3.02Å; E216-N220 PolarHBondContact OE1-ND2 3.5Å; N220-Y224 WeakPolarHBondContact O-CB 3.37Å; N220-Y224 PolarHBondContact O-N 2.91Å
221C83.4Confident79.8Confident33 Ų3370 Ų7022%0.22335%0.346CS..Hα-helixtrans-69-43.6174.4-68.50000111.8L192 L217 F218 L219 D223 Y224 F225 F241L192-C221 HydrophobicContact CD2-CB 3.71Å; L192-C221 VanDerWaalsContact CD2-SG 3.53Å; L217-C221 PolarHBondContact O-N 2.99Å; F218-C221 PolarHBondContact O-N 3.17Å; L219-C221 VanDerWaalsContact C-N 3.28Å; L219-C221 PolarHBondContact O-N 3.05Å; C221-D223 VanDerWaalsContact C-N 3.3Å; C221-D223 PolarHBondContact O-N 3.48Å; C221-Y224 WeakPolarHBondContact O-CB 3.3Å; C221-Y224 PolarHBondContact O-N 2.86Å; C221-F225 HydrophobicContact CB-CD2 4.47Å; C221-F225 HydrophobicContact CB-CE2 4.25Å; C221-F225 WeakPolarHBondContact O-CD2 3.39Å; C221-F225 PolarHBondContact O-N 3.27Å; C221-F241 HydrophobicContact CB-CE1 4.01Å; C221-F241 HydrophobicContact CB-CZ 3.67Å
222F83Confident77.7Confident1 Ų163.7 Ų63.70%0.00432%0.323CS..Hα-helixtrans-56.6-44.4176.6179.1-110.1000112.3F218 L219 F225 I226 F241 L245 V263 R266 L267F218-F222 WeakPolarHBondContact O-CB 3.4Å; F218-F222 PolarHBondContact O-N 2.89Å; L219-F222 HydrophobicContact CD2-CD1 4.41Å; L219-F222 WeakPolarHBondContact O-CB 3.46Å; L219-F222 PolarHBondContact O-N 2.85Å; F222-F225 PolarHBondContact O-N 2.9Å; F222-I226 HydrophobicContact CD1-CD1 3.94Å; F222-I226 HydrophobicContact CD2-CD1 4.36Å; F222-I226 HydrophobicContact CE1-CD1 3.41Å; F222-I226 VanDerWaalsContact CE1-CD1 3.41Å; F222-I226 HydrophobicContact CE2-CD1 3.9Å; F222-I226 HydrophobicContact CG-CD1 4.41Å; F222-I226 HydrophobicContact CZ-CD1 3.4Å; F222-I226 VanDerWaalsContact CZ-CD1 3.4Å; F222-I226 WeakPolarHBondContact O-CG1 3.38Å; F222-I226 PolarHBondContact O-N 2.97Å; F222-I226 VanDerWaalsContact O-N 3.15Å; F222-F241 HydrophobicContact CB-CD1 3.91Å; F222-F241 HydrophobicContact CB-CE1 4.2Å; F222-F241 HydrophobicContact CD2-CB 3.83Å; F222-F241 HydrophobicContact CD2-CD1 4.02Å; F222-F241 HydrophobicContact CD2-CG 4.23Å; F222-F241 HydrophobicContact CE2-CB 4.32Å; F222-F241 HydrophobicContact CG-CD1 4.46Å; F222-L245 HydrophobicContact CZ-CD2 4.42Å; F222-V263 HydrophobicContact CE1-CG1 4.13Å; F222-R266 HydrophobicContact CE1-CB 4.03Å; F222-L267 HydrophobicContact CE2-CD2 4.27Å; F222-L267 HydrophobicContact CZ-CD2 3.69Å; F222-L267 HydrophobicContact CZ-CG 4Å
223D83.1Confident75.7Confident53 Ų5365.1 Ų65.128%0.28334%0.335SS..Hα-helixtrans-67.3-43.8177.8-77.7-32000111.6L219 C221 F225 I226 D227 R266L219-D223 WeakPolarHBondContact O-CB 3.46Å; L219-D223 PolarHBondContact O-N 3.34Å; C221-D223 VanDerWaalsContact C-N 3.3Å; C221-D223 PolarHBondContact O-N 3.48Å; D223-F225 VanDerWaalsContact C-N 3.32Å; D223-F225 PolarHBondContact O-N 3.14Å; D223-I226 PolarHBondContact O-N 2.9Å; D223-I226 VanDerWaalsContact O-N 3.12Å; D223-D227 PolarHBondContact O-N 3.11Å; D223-R266 VanDerWaalsContact CA-NH2 3.3Å; D223-R266 PolarHBondContact O-NH2 3.36Å; D223-R266 IonicContact OD1-CZ 3.45Å; D223-R266 IonicContact OD1-NE 3.29Å; D223-R266 PolarHBondContact OD1-NE 2.99Å; D223-R266 IonicContact OD1-NH2 2.82Å; D223-R266 PolarHBondContact OD1-NH2 2.76Å
224Y80.5Confident73.9Confident117 Ų11760.9 Ų60.946%0.45932%0.317SS..Hα-helixtrans-55-45.9173.6177.2-94000112.2N220 C221 I226 D227 E228N220-Y224 WeakPolarHBondContact O-CB 3.37Å; N220-Y224 PolarHBondContact O-N 2.91Å; C221-Y224 WeakPolarHBondContact O-CB 3.3Å; C221-Y224 PolarHBondContact O-N 2.86Å; Y224-I226 VanDerWaalsContact C-N 3.3Å; Y224-I226 PolarHBondContact O-N 3.46Å; Y224-D227 PolarHBondContact O-N 3.37Å; Y224-E228 HydrophobicContact CD2-CG 3.79Å; Y224-E228 HydrophobicContact CE1-CB 4.42Å; Y224-E228 HydrophobicContact CE1-CG 4.28Å; Y224-E228 HydrophobicContact CE2-CB 4.44Å; Y224-E228 HydrophobicContact CE2-CG 3.47Å; Y224-E228 VanDerWaalsContact CE2-CG 3.47Å; Y224-E228 HydrophobicContact CG-CG 4.33Å; Y224-E228 WeakPolarHBondContact O-CB 3.5Å; Y224-E228 PolarHBondContact O-N 2.9Å
225F74.1Confident72.2Confident7 Ų761.1 Ų61.13%0.03132%0.316CS..Hα-helixtrans-64.7-32.6177.9-77.6-63.4000113.7C221 F222 D223 G229 S232 D234 F236 F241C221-F225 HydrophobicContact CB-CD2 4.47Å; C221-F225 HydrophobicContact CB-CE2 4.25Å; C221-F225 WeakPolarHBondContact O-CD2 3.39Å; C221-F225 PolarHBondContact O-N 3.27Å; F222-F225 PolarHBondContact O-N 2.9Å; D223-F225 VanDerWaalsContact C-N 3.32Å; D223-F225 PolarHBondContact O-N 3.14Å; F225-G229 CarbonylContact O-C 3.53Å; F225-G229 PolarHBondContact O-N 2.94Å; F225-S232 WeakPolarHBondContact CE1-OG 3.24Å; F225-D234 HydrophobicContact CE1-CB 3.85Å; F225-D234 HydrophobicContact CZ-CB 3.95Å; F225-F236 VanDerWaalsContact CE1-O 3.31Å; F225-F236 WeakPolarHBondContact CE1-O 3.17Å; F225-F236 HydrophobicContact CE2-CB 4.02Å; F225-F236 HydrophobicContact CE2-CD2 4.44Å; F225-F236 HydrophobicContact CZ-CB 3.79Å; F225-F236 HydrophobicContact CZ-CD2 4.18Å; F225-F236 HydrophobicContact CZ-CG 4.49Å; F225-F241 AromaticContact CD2-CD2 3.87Å; F225-F241 HydrophobicContact CD2-CD2 3.87Å; F225-F241 AromaticContact CD2-CE2 3.45Å; F225-F241 HydrophobicContact CD2-CE2 3.45Å; F225-F241 VanDerWaalsContact CD2-CE2 3.45Å; F225-F241 AromaticContact CD2-CZ 3.88Å; F225-F241 HydrophobicContact CD2-CZ 3.88Å; F225-F241 HydrophobicContact CE2-CD2 4.05Å; F225-F241 AromaticContact CE2-CE2 3.24Å; F225-F241 HydrophobicContact CE2-CE2 3.24Å; F225-F241 AromaticContact CE2-CZ 3.69Å; F225-F241 HydrophobicContact CE2-CZ 3.69Å; F225-F241 HydrophobicContact CZ-CE2 4.23Å
226I76.8Confident71.1Confident26 Ų2661.5 Ų61.513%0.13332%0.317CS..Hα-helixtrans-72.9-37.9176.5-71.9175.5000110.9F222 D223 Y224 R266 L269 L270F222-I226 HydrophobicContact CD1-CD1 3.94Å; F222-I226 HydrophobicContact CD2-CD1 4.36Å; F222-I226 HydrophobicContact CE1-CD1 3.41Å; F222-I226 VanDerWaalsContact CE1-CD1 3.41Å; F222-I226 HydrophobicContact CE2-CD1 3.9Å; F222-I226 HydrophobicContact CG-CD1 4.41Å; F222-I226 HydrophobicContact CZ-CD1 3.4Å; F222-I226 VanDerWaalsContact CZ-CD1 3.4Å; F222-I226 WeakPolarHBondContact O-CG1 3.38Å; F222-I226 PolarHBondContact O-N 2.97Å; F222-I226 VanDerWaalsContact O-N 3.15Å; D223-I226 PolarHBondContact O-N 2.9Å; D223-I226 VanDerWaalsContact O-N 3.12Å; Y224-I226 VanDerWaalsContact C-N 3.3Å; Y224-I226 PolarHBondContact O-N 3.46Å; I226-R266 HydrophobicContact CD1-CB 3.77Å; I226-L269 HydrophobicContact CG2-CB 4.23Å; I226-L269 HydrophobicContact CG2-CD1 4.13Å; I226-L270 HydrophobicContact CD1-CD2 4.38Å; I226-L270 HydrophobicContact CD1-CG 4.42Å; I226-L270 HydrophobicContact CG1-CD2 3.83Å; I226-L270 HydrophobicContact CG1-CG 4.39Å
227D77.5Confident70.2Confident103 Ų10359.2 Ų59.255%0.55131%0.31SS*.Hα-helixtrans-80.5-46.3-176.3-68.5-30.1000113.2D223 Y224 G229 R266D223-D227 PolarHBondContact O-N 3.11Å; Y224-D227 PolarHBondContact O-N 3.37Å; D227-G229 VanDerWaalsContact C-N 3.3Å; D227-G229 PolarHBondContact O-N 3.17Å; D227-R266 IonicContact OD1-CZ 3.27Å; D227-R266 VanDerWaalsContact OD1-CZ 3.27Å; D227-R266 IonicContact OD1-NH1 2.71Å; D227-R266 PolarHBondContact OD1-NH1 3.12Å; D227-R266 IonicContact OD1-NH2 2.65Å; D227-R266 PolarHBondContact OD1-NH2 3.41Å; D227-R266 IonicContact OD2-CZ 3.7Å; D227-R266 IonicContact OD2-NH1 3.73Å; D227-R266 IonicContact OD2-NH2 2.93Å; D227-R266 PolarHBondContact OD2-NH2 2.97Å
228E68.8Low69.7Low134 Ų13457.5 Ų57.563%0.62630%0.302SS*.Hα-helixtrans-82.9-9.4-177.4-63.2-62.1135.800113.1Y224Y224-E228 HydrophobicContact CD2-CG 3.79Å; Y224-E228 HydrophobicContact CE1-CB 4.42Å; Y224-E228 HydrophobicContact CE1-CG 4.28Å; Y224-E228 HydrophobicContact CE2-CB 4.44Å; Y224-E228 HydrophobicContact CE2-CG 3.47Å; Y224-E228 VanDerWaalsContact CE2-CG 3.47Å; Y224-E228 HydrophobicContact CG-CG 4.33Å; Y224-E228 WeakPolarHBondContact O-CB 3.5Å; Y224-E228 PolarHBondContact O-N 2.9Å
229G58.1Low69.3Low28 Ų2858.3 Ų58.329%0.28931%0.305SS..  trans93.6158.3177.200000114F225 D227 E231F225-G229 CarbonylContact O-C 3.53Å; F225-G229 PolarHBondContact O-N 2.94Å; D227-G229 VanDerWaalsContact C-N 3.3Å; D227-G229 PolarHBondContact O-N 3.17Å; G229-E231 PolarHBondContact O-N 3.2Å; G229-E231 VanDerWaalsContact O-N 3.13Å
230I52.2Low69.2Low64 Ų6458.2 Ų58.233%0.32830%0.304SS..THydrogen-bonded Turntrans-65.2-18-171.7-62.3152.9000112.9A238 P271 L274I230-A238 HydrophobicContact CG1-CB 4.17Å; I230-P271 HydrophobicContact CD1-CG 3.59Å; I230-L274 HydrophobicContact CD1-CD1 3.54Å; I230-L274 HydrophobicContact CG1-CD1 3.87Å; I230-L274 HydrophobicContact CG2-CD1 3.85Å
231E48.2Very low69.3Low184 Ų18454 Ų5486%0.8628%0.282SS*.THydrogen-bonded Turntrans-98.518.6-170.4-62.3-173169.200113.8G229 D233G229-E231 PolarHBondContact O-N 3.2Å; G229-E231 VanDerWaalsContact O-N 3.13Å; E231-D233 PolarHBondContact O-N 2.96Å
232S45Very low69.6Low32 Ų3252.4 Ų52.422%0.22427%0.271CS..  trans-60.8139.517082.60000108.9F225 D234F225-S232 WeakPolarHBondContact CE1-OG 3.24Å; S232-D234 WeakPolarHBondContact CB-OD2 3.35Å; S232-D234 PolarHBondContact O-N 3.23Å; S232-D234 VanDerWaalsContact OG-CB 3.27Å; S232-D234 WeakPolarHBondContact OG-CB 3.37Å; S232-D234 PolarHBondContact OG-OD2 3.41Å
233D47.1Very low70Confident178 Ų17852.4 Ų52.495%0.95227%0.271SS*.SBendtrans-6112.5174.5-74.9-41.2000113E231E231-D233 PolarHBondContact O-N 2.96Å
234D51.4Low70.5Confident63 Ų6349.9 Ų49.934%0.33726%0.258SS..SBendtrans-78.5153.3-179.8-66.3-54.6000112F225 S232 F236F225-D234 HydrophobicContact CE1-CB 3.85Å; F225-D234 HydrophobicContact CZ-CB 3.95Å; S232-D234 WeakPolarHBondContact CB-OD2 3.35Å; S232-D234 PolarHBondContact O-N 3.23Å; S232-D234 VanDerWaalsContact OG-CB 3.27Å; S232-D234 WeakPolarHBondContact OG-CB 3.37Å; S232-D234 PolarHBondContact OG-OD2 3.41Å; D234-F236 PolarHBondContact O-N 3.49Å
235L54.4Low71.1Confident42 Ų4244.3 Ų44.322%0.2224%0.236CC..SBendtrans-69.3-0.3-172-67.6163000114.5D150 Y151 S154D150-L235 HydrophobicContact CB-CD1 4.41Å; D150-L235 VanDerWaalsContact OD1-CD1 3.28Å; D150-L235 WeakPolarHBondContact OD1-CD1 3.34Å; D150-L235 WeakPolarHBondContact OD2-CD1 3.46Å; Y151-L235 HydrophobicContact CD1-CD2 3.94Å; Y151-L235 HydrophobicContact CE1-CD2 3.86Å; S154-L235 WeakPolarHBondContact OG-CB 3.45Å; S154-L235 WeakPolarHBondContact OG-CD1 3.36Å
236F66.1Low72Confident11 Ų1144 Ų445%0.04823%0.234CC..  trans-128.1143.8-176.4-49.6-76.8000110K189 L192 A193 I196 F225 D234 F241K189-F236 HydrophobicContact CG-CE2 4.29Å; L192-F236 HydrophobicContact CD2-CE2 4.22Å; A193-F236 HydrophobicContact CB-CE1 4.28Å; A193-F236 HydrophobicContact CB-CZ 3.82Å; I196-F236 HydrophobicContact CD1-CD1 3.46Å; I196-F236 VanDerWaalsContact CD1-CD1 3.46Å; I196-F236 HydrophobicContact CD1-CE1 3.39Å; I196-F236 HydrophobicContact CD1-CG 4.36Å; I196-F236 HydrophobicContact CD1-CZ 4.22Å; F225-F236 VanDerWaalsContact CE1-O 3.31Å; F225-F236 WeakPolarHBondContact CE1-O 3.17Å; F225-F236 HydrophobicContact CE2-CB 4.02Å; F225-F236 HydrophobicContact CE2-CD2 4.44Å; F225-F236 HydrophobicContact CZ-CB 3.79Å; F225-F236 HydrophobicContact CZ-CD2 4.18Å; F225-F236 HydrophobicContact CZ-CG 4.49Å; D234-F236 PolarHBondContact O-N 3.49Å; F236-F241 HydrophobicContact CB-CD2 4Å; F236-F241 HydrophobicContact CB-CE2 3.51Å; F236-F241 HydrophobicContact CD2-CE2 4.46Å; F236-F241 AromaticContact CG-CE2 3.95Å; F236-F241 HydrophobicContact CG-CE2 3.95Å
237S72.8Confident72.9Confident36 Ų3643.8 Ų43.825%0.25223%0.233SC..  trans-108.4152.6172.959.10000110.4F239 Q240 F241S237-F239 PolarHBondContact O-N 3.47Å; S237-F239 VanDerWaalsContact O-N 3.07Å; S237-Q240 WeakPolarHBondContact O-CB 3.48Å; S237-Q240 PolarHBondContact O-N 2.8Å; S237-Q240 PolarHBondContact OG-N 3.07Å; S237-Q240 VanDerWaalsContact OG-N 3.16Å; S237-F241 PolarHBondContact O-N 2.99Å
238A77.1Confident73.8Confident0 Ų038.9 Ų38.90%021%0.207CC..Hα-helixtrans-52-31.3168.800000112I230 F241 N242 L270 L274I230-A238 HydrophobicContact CG1-CB 4.17Å; A238-F241 PolarHBondContact O-N 3.2Å; A238-N242 PolarHBondContact O-N 2.83Å; A238-L270 HydrophobicContact CB-CD2 3.7Å; A238-L274 HydrophobicContact CB-CD1 4.28Å; A238-L274 HydrophobicContact CB-CD2 3.95Å
239F81Confident75.1Confident17 Ų1732.5 Ų32.58%0.07518%0.177CC..Hα-helixtrans-62.8-49.1175.2-177.4-119.7000111.8I161 S237 F241 N242 K243 L274 E280 F308I161-F239 HydrophobicContact CD1-CD1 3.62Å; I161-F239 HydrophobicContact CD1-CE1 4.08Å; I161-F239 HydrophobicContact CG1-CD1 4.05Å; I161-F239 HydrophobicContact CG1-CE1 4.09Å; S237-F239 PolarHBondContact O-N 3.47Å; S237-F239 VanDerWaalsContact O-N 3.07Å; F239-F241 VanDerWaalsContact C-N 3.34Å; F239-F241 PolarHBondContact O-N 2.7Å; F239-N242 PolarHBondContact O-N 3.06Å; F239-K243 HydrophobicContact CE1-CD 4.24Å; F239-K243 HydrophobicContact CZ-CD 4.38Å; F239-K243 PolarHBondContact O-N 3.39Å; F239-K243 VanDerWaalsContact O-N 3.13Å; F239-L274 HydrophobicContact CB-CD2 4.12Å; F239-L274 HydrophobicContact CB-CG 3.96Å; F239-L274 HydrophobicContact CD2-CG 4.43Å; F239-L274 WeakPolarHBondContact CD2-O 3.32Å; F239-L274 WeakPolarHBondContact CE2-O 3.26Å; F239-E280 HydrophobicContact CE2-CG 4.31Å; F239-F308 HydrophobicContact CE1-CD2 4.35Å; F239-F308 AromaticContact CE1-CE2 3.57Å; F239-F308 HydrophobicContact CE1-CE2 3.57Å; F239-F308 AromaticContact CE1-CZ 3.73Å; F239-F308 HydrophobicContact CE1-CZ 3.73Å; F239-F308 AromaticContact CZ-CD2 3.84Å; F239-F308 HydrophobicContact CZ-CD2 3.84Å; F239-F308 AromaticContact CZ-CE2 3.47Å; F239-F308 HydrophobicContact CZ-CE2 3.47Å; F239-F308 VanDerWaalsContact CZ-CE2 3.47Å; F239-F308 HydrophobicContact CZ-CZ 4.07Å
240Q86.4Confident76.9Confident4 Ų431.7 Ų31.72%0.01917%0.166CC..Hα-helixtrans-62.7-41.6176.8-171.7176.84400111.7N157 I161 F200 S237 N242 K243 V244N157-Q240 PolarHBondContact O-NE2 3.05Å; I161-Q240 HydrophobicContact CD1-CB 3.94Å; I161-Q240 HydrophobicContact CD1-CG 4.38Å; I161-Q240 HydrophobicContact CG1-CB 4.36Å; I161-Q240 HydrophobicContact CG1-CG 4.43Å; F200-Q240 HydrophobicContact CE2-CG 4.38Å; S237-Q240 WeakPolarHBondContact O-CB 3.48Å; S237-Q240 PolarHBondContact O-N 2.8Å; S237-Q240 PolarHBondContact OG-N 3.07Å; S237-Q240 VanDerWaalsContact OG-N 3.16Å; Q240-N242 PolarHBondContact O-N 3.49Å; Q240-K243 PolarHBondContact O-N 3.17Å; Q240-V244 VanDerWaalsContact O-CG2 3.28Å; Q240-V244 WeakPolarHBondContact O-CG2 3.44Å; Q240-V244 PolarHBondContact O-N 3.45Å
241F87.9Confident78.9Confident0 Ų029.4 Ų29.40%016%0.155CC..Hα-helixtrans-60.7-42.9175.6-93.5-95000112.5L192 F218 C221 F222 F225 F236 S237 A238 F239 K243 V244 L245L192-F241 HydrophobicContact CD1-CE1 4.34Å; L192-F241 HydrophobicContact CD1-CZ 4.28Å; L192-F241 HydrophobicContact CD2-CE1 4.43Å; L192-F241 HydrophobicContact CD2-CZ 3.67Å; L192-F241 HydrophobicContact CG-CZ 4.4Å; F218-F241 HydrophobicContact CD2-CD1 4.06Å; F218-F241 AromaticContact CD2-CE1 3.79Å; F218-F241 HydrophobicContact CD2-CE1 3.79Å; F218-F241 HydrophobicContact CE1-CD1 4.12Å; F218-F241 AromaticContact CE2-CD1 3.45Å; F218-F241 HydrophobicContact CE2-CD1 3.45Å; F218-F241 VanDerWaalsContact CE2-CD1 3.45Å; F218-F241 AromaticContact CE2-CE1 3.66Å; F218-F241 HydrophobicContact CE2-CE1 3.66Å; F218-F241 HydrophobicContact CE2-CG 4.43Å; F218-F241 HydrophobicContact CG-CE1 4.32Å; F218-F241 AromaticContact CZ-CD1 3.5Å; F218-F241 HydrophobicContact CZ-CD1 3.5Å; F218-F241 HydrophobicContact CZ-CE1 4.1Å; F218-F241 HydrophobicContact CZ-CG 4.44Å; C221-F241 HydrophobicContact CB-CE1 4.01Å; C221-F241 HydrophobicContact CB-CZ 3.67Å; F222-F241 HydrophobicContact CB-CD1 3.91Å; F222-F241 HydrophobicContact CB-CE1 4.2Å; F222-F241 HydrophobicContact CD2-CB 3.83Å; F222-F241 HydrophobicContact CD2-CD1 4.02Å; F222-F241 HydrophobicContact CD2-CG 4.23Å; F222-F241 HydrophobicContact CE2-CB 4.32Å; F222-F241 HydrophobicContact CG-CD1 4.46Å; F225-F241 AromaticContact CD2-CD2 3.87Å; F225-F241 HydrophobicContact CD2-CD2 3.87Å; F225-F241 AromaticContact CD2-CE2 3.45Å; F225-F241 HydrophobicContact CD2-CE2 3.45Å; F225-F241 VanDerWaalsContact CD2-CE2 3.45Å; F225-F241 AromaticContact CD2-CZ 3.88Å; F225-F241 HydrophobicContact CD2-CZ 3.88Å; F225-F241 HydrophobicContact CE2-CD2 4.05Å; F225-F241 AromaticContact CE2-CE2 3.24Å; F225-F241 HydrophobicContact CE2-CE2 3.24Å; F225-F241 AromaticContact CE2-CZ 3.69Å; F225-F241 HydrophobicContact CE2-CZ 3.69Å; F225-F241 HydrophobicContact CZ-CE2 4.23Å; F236-F241 HydrophobicContact CB-CD2 4Å; F236-F241 HydrophobicContact CB-CE2 3.51Å; F236-F241 HydrophobicContact CD2-CE2 4.46Å; F236-F241 AromaticContact CG-CE2 3.95Å; F236-F241 HydrophobicContact CG-CE2 3.95Å; S237-F241 PolarHBondContact O-N 2.99Å; A238-F241 PolarHBondContact O-N 3.2Å; F239-F241 VanDerWaalsContact C-N 3.34Å; F239-F241 PolarHBondContact O-N 2.7Å; F241-K243 VanDerWaalsContact C-N 3.31Å; F241-K243 PolarHBondContact O-N 2.96Å; F241-V244 PolarHBondContact O-N 3.47Å; F241-L245 VanDerWaalsContact O-CB 3.29Å; F241-L245 WeakPolarHBondContact O-CB 3.34Å; F241-L245 PolarHBondContact O-N 3.5Å
242N89.8Confident81Confident1 Ų124.6 Ų24.61%0.00514%0.135CC..Hα-helixtrans-59.1-43.4174.9-179.762.8000111.5A238 F239 Q240 V244 L245 R246 L267 E280 T284A238-N242 PolarHBondContact O-N 2.83Å; F239-N242 PolarHBondContact O-N 3.06Å; Q240-N242 PolarHBondContact O-N 3.49Å; N242-V244 PolarHBondContact O-N 3.42Å; N242-L245 PolarHBondContact O-N 2.87Å; N242-R246 WeakPolarHBondContact O-CG 3.2Å; N242-R246 PolarHBondContact O-N 3.31Å; N242-R246 VanDerWaalsContact O-N 3.14Å; N242-L267 WeakPolarHBondContact OD1-CD2 3.25Å; N242-E280 PolarHBondContact ND2-O 3.36Å; N242-T284 PolarHBondContact ND2-OG1 3.36Å; N242-T284 VanDerWaalsContact OD1-CB 3.32Å; N242-T284 WeakPolarHBondContact OD1-CB 3.45Å; N242-T284 PolarHBondContact OD1-OG1 3.36Å
243K92Very high83.3Confident0 Ų028.9 Ų28.90%015%0.151CC..Hα-helixtrans-63.1-39.2175.8-65.3-167.6174.5-86.20112.9I161 E163 F200 F239 Q240 F241 R246 I247 E280I161-K243 HydrophobicContact CG1-CD 4.05Å; I161-K243 WeakPolarHBondContact O-CD 3.25Å; I161-K243 WeakPolarHBondContact O-CE 3.17Å; E163-K243 HydrophobicContact CG-CD 4.42Å; E163-K243 IonicContact OE2-NZ 3.46Å; E163-K243 PolarHBondContact OE2-NZ 3.05Å; F200-K243 HydrophobicContact CE1-CB 4.14Å; F200-K243 HydrophobicContact CZ-CB 3.94Å; F239-K243 HydrophobicContact CE1-CD 4.24Å; F239-K243 HydrophobicContact CZ-CD 4.38Å; F239-K243 PolarHBondContact O-N 3.39Å; F239-K243 VanDerWaalsContact O-N 3.13Å; Q240-K243 PolarHBondContact O-N 3.17Å; F241-K243 VanDerWaalsContact C-N 3.31Å; F241-K243 PolarHBondContact O-N 2.96Å; K243-R246 WeakPolarHBondContact O-CG 3.44Å; K243-I247 WeakPolarHBondContact O-CD1 3.41Å; K243-I247 WeakPolarHBondContact O-CG1 3.43Å; K243-E280 IonicContact NZ-OE1 3.37Å; K243-E280 PolarHBondContact NZ-OE1 3.07Å
244V93.6Very high85.5Confident0 Ų020.4 Ų20.40%011%0.106CC..Hα-helixtrans-69.6-42.2177.8175.30000110.5I196 T199 F200 F218 Q240 F241 N242 R246 I247 L248I196-V244 HydrophobicContact CB-CG2 4.27Å; I196-V244 HydrophobicContact CG1-CG1 4.23Å; I196-V244 HydrophobicContact CG1-CG2 4.03Å; I196-V244 HydrophobicContact CG2-CG2 3.72Å; T199-V244 HydrophobicContact CG2-CG1 3.92Å; F200-V244 HydrophobicContact CD2-CG2 4.28Å; F200-V244 HydrophobicContact CE2-CG2 3.51Å; F200-V244 HydrophobicContact CZ-CG2 3.73Å; F218-V244 HydrophobicContact CD2-CG1 4.38Å; F218-V244 HydrophobicContact CE2-CB 3.99Å; F218-V244 HydrophobicContact CE2-CG1 3.51Å; F218-V244 HydrophobicContact CZ-CB 4.24Å; F218-V244 HydrophobicContact CZ-CG1 4.04Å; Q240-V244 VanDerWaalsContact O-CG2 3.28Å; Q240-V244 WeakPolarHBondContact O-CG2 3.44Å; Q240-V244 PolarHBondContact O-N 3.45Å; F241-V244 PolarHBondContact O-N 3.47Å; N242-V244 PolarHBondContact O-N 3.42Å; V244-R246 PolarHBondContact O-N 3.21Å; V244-I247 PolarHBondContact O-N 2.85Å; V244-L248 HydrophobicContact CG1-CD1 3.82Å; V244-L248 HydrophobicContact CG1-CG 4.23Å; V244-L248 WeakPolarHBondContact O-CG 3.27Å; V244-L248 PolarHBondContact O-N 3.5Å
245L93.5Very high87.6Confident0 Ų018.7 Ų18.70%010%0.095CC..Hα-helixtrans-60.3-47-17917760.7000112.3F218 F222 F241 N242 I247 L248 A249 F258 V263 L267 T284 L288F218-L245 HydrophobicContact CE1-CB 4.19Å; F218-L245 HydrophobicContact CE1-CD1 4.13Å; F218-L245 HydrophobicContact CZ-CB 4.08Å; F222-L245 HydrophobicContact CZ-CD2 4.42Å; F241-L245 VanDerWaalsContact O-CB 3.29Å; F241-L245 WeakPolarHBondContact O-CB 3.34Å; F241-L245 PolarHBondContact O-N 3.5Å; N242-L245 PolarHBondContact O-N 2.87Å; L245-I247 VanDerWaalsContact C-N 3.27Å; L245-I247 PolarHBondContact O-N 3.34Å; L245-L248 PolarHBondContact O-N 3.08Å; L245-A249 VanDerWaalsContact O-CB 3.31Å; L245-A249 WeakPolarHBondContact O-CB 3.35Å; L245-A249 PolarHBondContact O-N 2.91Å; L245-F258 HydrophobicContact CD1-CB 4.41Å; L245-F258 HydrophobicContact CD1-CD1 4.04Å; L245-F258 HydrophobicContact CD1-CD2 3.69Å; L245-F258 HydrophobicContact CD1-CE1 4.21Å; L245-F258 HydrophobicContact CD1-CE2 3.88Å; L245-F258 HydrophobicContact CD1-CG 3.79Å; L245-F258 HydrophobicContact CD1-CZ 4.15Å; L245-V263 HydrophobicContact CD1-CG1 4.38Å; L245-V263 HydrophobicContact CD2-CG1 3.52Å; L245-L267 HydrophobicContact CD2-CD1 3.97Å; L245-L267 HydrophobicContact CD2-CD2 4.2Å; L245-L267 HydrophobicContact CD2-CG 4.35Å; L245-T284 HydrophobicContact CB-CG2 4.46Å; L245-T284 HydrophobicContact CD2-CG2 3.87Å; L245-T284 HydrophobicContact CG-CG2 3.95Å; L245-L288 HydrophobicContact CD2-CD1 4.3Å
246R93.6Very high89.3Confident0 Ų020.9 Ų20.90%011%0.107CC..Hα-helixtrans-61.6-34.3177.753.9140.6171.1-93.728113.2E163 N242 K243 V244 E280 T284 I287E163-R246 IonicContact OE1-CZ 2.64Å; E163-R246 IonicContact OE1-NE 2.71Å; E163-R246 PolarHBondContact OE1-NE 3.35Å; E163-R246 IonicContact OE1-NH2 3.45Å; E163-R246 PolarHBondContact OE1-NH2 2.88Å; E163-R246 IonicContact OE2-CZ 3.65Å; E163-R246 IonicContact OE2-NH2 2.7Å; E163-R246 PolarHBondContact OE2-NH2 3.21Å; N242-R246 WeakPolarHBondContact O-CG 3.2Å; N242-R246 PolarHBondContact O-N 3.31Å; N242-R246 VanDerWaalsContact O-N 3.14Å; K243-R246 WeakPolarHBondContact O-CG 3.44Å; V244-R246 PolarHBondContact O-N 3.21Å; R246-E280 IonicContact CZ-OE1 3.72Å; R246-E280 IonicContact CZ-OE2 3.27Å; R246-E280 IonicContact NH1-OE1 2.59Å; R246-E280 IonicContact NH1-OE2 3.94Å; R246-E280 PolarHBondContact NH1-OE2 3.38Å; R246-E280 VanDerWaalsContact NH2-CD 3.34Å; R246-E280 IonicContact NH2-OE1 2.78Å; R246-E280 PolarHBondContact NH2-OE1 3.16Å; R246-E280 IonicContact NH2-OE2 3.21Å; R246-E280 PolarHBondContact NH2-OE2 3.18Å; R246-T284 HydrophobicContact CB-CG2 4.22Å; R246-I287 HydrophobicContact CB-CD1 3.94Å
247I95.3Very high90.6Very high23 Ų2323.4 Ų23.412%0.11812%0.119CC..Hα-helixtrans-73.3-47.5178.9-62.5168.9000108.7T199 F200 L208 K243 V244 L245 A249 L250T199-I247 HydrophobicContact CG2-CB 3.68Å; T199-I247 HydrophobicContact CG2-CD1 4.47Å; T199-I247 HydrophobicContact CG2-CG2 3.55Å; F200-I247 HydrophobicContact CD1-CD1 3.57Å; F200-I247 HydrophobicContact CE1-CD1 3.68Å; L208-I247 HydrophobicContact CD1-CG2 4.34Å; L208-I247 WeakPolarHBondContact CD1-O 3.21Å; L208-I247 HydrophobicContact CD2-CG2 3.75Å; K243-I247 WeakPolarHBondContact O-CD1 3.41Å; K243-I247 WeakPolarHBondContact O-CG1 3.43Å; V244-I247 PolarHBondContact O-N 2.85Å; L245-I247 VanDerWaalsContact C-N 3.27Å; L245-I247 PolarHBondContact O-N 3.34Å; I247-A249 PolarHBondContact O-N 3.1Å; I247-L250 VanDerWaalsContact O-CB 3.28Å; I247-L250 WeakPolarHBondContact O-CB 3.36Å; I247-L250 WeakPolarHBondContact O-CG 3.38Å; I247-L250 PolarHBondContact O-N 3.23Å; I247-L250 VanDerWaalsContact O-N 3.09Å
248L95.8Very high91.5Very high0 Ų021.7 Ų21.70%011%0.107CC..Hα-helixtrans-58.1-36.8176.6-71.6172.8000112.6T199 L208 L210 F218 V244 L245 L250 D251 N254 F258T199-L248 HydrophobicContact CG2-CD2 3.98Å; T199-L248 HydrophobicContact CG2-CG 3.86Å; T199-L248 WeakPolarHBondContact OG1-CD2 3.26Å; L208-L248 HydrophobicContact CD2-CD2 4.07Å; L210-L248 HydrophobicContact CD1-CD1 3.66Å; L210-L248 HydrophobicContact CD1-CD2 3.73Å; L210-L248 HydrophobicContact CD1-CG 4.32Å; L210-L248 HydrophobicContact CD2-CD2 4.12Å; L210-L248 HydrophobicContact CG-CD2 3.82Å; F218-L248 HydrophobicContact CD2-CD1 4.46Å; F218-L248 HydrophobicContact CE2-CD1 4.36Å; F218-L248 HydrophobicContact CZ-CD1 4.47Å; V244-L248 HydrophobicContact CG1-CD1 3.82Å; V244-L248 HydrophobicContact CG1-CG 4.23Å; V244-L248 WeakPolarHBondContact O-CG 3.27Å; V244-L248 PolarHBondContact O-N 3.5Å; L245-L248 PolarHBondContact O-N 3.08Å; L248-L250 PolarHBondContact O-N 3.23Å; L248-D251 PolarHBondContact O-N 2.96Å; L248-N254 VanDerWaalsContact O-CB 3.24Å; L248-N254 WeakPolarHBondContact O-CB 3.45Å; L248-N254 PolarHBondContact O-ND2 3.05Å; L248-N254 VanDerWaalsContact O-ND2 3.09Å; L248-F258 HydrophobicContact CB-CE2 3.79Å; L248-F258 HydrophobicContact CB-CZ 4.32Å; L248-F258 HydrophobicContact CD1-CE2 4.41Å; L248-F258 HydrophobicContact CD1-CZ 4.12Å
249A95.4Very high91.9Very high0 Ų024.1 Ų24.10%013%0.127CC..THydrogen-bonded Turntrans-72.9-1.1178.800000114.8L245 I247 D251 R255 I287 L288L245-A249 VanDerWaalsContact O-CB 3.31Å; L245-A249 WeakPolarHBondContact O-CB 3.35Å; L245-A249 PolarHBondContact O-N 2.91Å; I247-A249 PolarHBondContact O-N 3.1Å; A249-D251 VanDerWaalsContact C-N 3.27Å; A249-R255 HydrophobicContact CB-CB 4.46Å; A249-R255 WeakPolarHBondContact O-CB 3.34Å; A249-R255 PolarHBondContact O-NH1 3.42Å; A249-R255 VanDerWaalsContact O-NH1 3.16Å; A249-I287 HydrophobicContact CB-CG2 3.74Å; A249-L288 HydrophobicContact CB-CD2 3.74Å; A249-L288 HydrophobicContact CB-CG 4.34Å
250L95.8Very high92Very high10 Ų1030.5 Ų30.55%0.05216%0.157CC..THydrogen-bonded Turntrans-70.5-26.9166.7-62.6174.8000111.7I205 L208 I247 L248 N294 A297 I298 I301I205-L250 HydrophobicContact CD1-CB 4.34Å; I205-L250 HydrophobicContact CG1-CB 4.35Å; I205-L250 HydrophobicContact CG2-CB 4.33Å; I205-L250 WeakPolarHBondContact CG2-O 3.14Å; L208-L250 HydrophobicContact CD1-CB 4.02Å; I247-L250 VanDerWaalsContact O-CB 3.28Å; I247-L250 WeakPolarHBondContact O-CB 3.36Å; I247-L250 WeakPolarHBondContact O-CG 3.38Å; I247-L250 PolarHBondContact O-N 3.23Å; I247-L250 VanDerWaalsContact O-N 3.09Å; L248-L250 PolarHBondContact O-N 3.23Å; L250-N294 PolarHBondContact O-ND2 3.42Å; L250-N294 PolarHBondContact O-OD1 2.98Å; L250-A297 HydrophobicContact CD2-CB 3.62Å; L250-I298 HydrophobicContact CD1-CD1 4.39Å; L250-I298 HydrophobicContact CD1-CG1 3.8Å; L250-I298 HydrophobicContact CD2-CG1 4.24Å; L250-I301 HydrophobicContact CD1-CD1 4.22Å; L250-I301 HydrophobicContact CD2-CD1 4.27Å; L250-I301 HydrophobicContact CG-CD1 4.49Å
251D95.1Very high91.8Very high17 Ų1733.3 Ų33.39%0.09117%0.167CC..SBendtrans-80.1131170.4174.182.5000110.2I205 L208 L248 A249 E253 N254 R255I205-D251 HydrophobicContact CG2-CB 4.05Å; L208-D251 HydrophobicContact CB-CB 3.91Å; L248-D251 PolarHBondContact O-N 2.96Å; A249-D251 VanDerWaalsContact C-N 3.27Å; D251-E253 PolarHBondContact O-N 3.27Å; D251-E253 WeakPolarHBondContact OD2-CB 3.38Å; D251-E253 PolarHBondContact OD2-N 3.41Å; D251-N254 HydrophobicContact CB-CB 4.16Å; D251-N254 PolarHBondContact O-N 3.48Å; D251-N254 PolarHBondContact OD2-N 3.41Å; D251-R255 VanDerWaalsContact O-CB 3.29Å; D251-R255 WeakPolarHBondContact O-CB 3.36Å; D251-R255 PolarHBondContact O-N 3.07Å
252D92.8Very high91.7Very high82 Ų8237 Ų3744%0.43920%0.198SC..Hα-helixtrans-66.7-35.7-172.2-69.5-11000112.4R255 N256D252-R255 PolarHBondContact O-N 3.4Å; D252-R255 IonicContact OD1-CZ 3.39Å; D252-R255 VanDerWaalsContact OD1-CZ 3.26Å; D252-R255 IonicContact OD1-NH1 2.79Å; D252-R255 PolarHBondContact OD1-NH1 3.35Å; D252-R255 IonicContact OD1-NH2 3.85Å; D252-R255 PolarHBondContact OD1-NH2 3.15Å; D252-N256 WeakPolarHBondContact O-CB 3.45Å; D252-N256 PolarHBondContact O-N 3.49Å; D252-N256 PolarHBondContact O-ND2 2.86Å
253E92.7Very high91.7Very high122 Ų12237.2 Ų37.257%0.5720%0.199SC*.Hα-helixtrans-68.6-50.3179.1-66.5-175.6-166.900110.4N209 D251 R255 N256 E257N209-E253 VanDerWaalsContact ND2-CD 3.28Å; N209-E253 PolarHBondContact ND2-OE2 3.01Å; D251-E253 PolarHBondContact O-N 3.27Å; D251-E253 WeakPolarHBondContact OD2-CB 3.38Å; D251-E253 PolarHBondContact OD2-N 3.41Å; E253-R255 VanDerWaalsContact C-N 3.3Å; E253-R255 PolarHBondContact O-N 3.06Å; E253-N256 PolarHBondContact O-N 3.43Å; E253-E257 PolarHBondContact O-N 2.59Å
254N94.1Very high91.5Very high1 Ų138.9 Ų38.91%0.00521%0.209CC..Hα-helixtrans-55.4-45.9172.6-75.8-16.9000111.8L208 L210 L248 D251 N256 E257 F258L208-N254 PolarHBondContact O-ND2 3.4Å; L210-N254 PolarHBondContact N-OD1 3.38Å; L248-N254 VanDerWaalsContact O-CB 3.24Å; L248-N254 WeakPolarHBondContact O-CB 3.45Å; L248-N254 PolarHBondContact O-ND2 3.05Å; L248-N254 VanDerWaalsContact O-ND2 3.09Å; D251-N254 HydrophobicContact CB-CB 4.16Å; D251-N254 PolarHBondContact O-N 3.48Å; D251-N254 PolarHBondContact OD2-N 3.41Å; N254-N256 VanDerWaalsContact C-N 3.34Å; N254-N256 PolarHBondContact O-N 2.84Å; N254-E257 PolarHBondContact O-N 3Å; N254-F258 HydrophobicContact CB-CD2 4.28Å; N254-F258 HydrophobicContact CB-CE2 3.89Å; N254-F258 WeakPolarHBondContact O-CD2 3.25Å; N254-F258 WeakPolarHBondContact O-CG 3.2Å; N254-F258 PolarHBondContact O-N 3.31Å
255R94.1Very high91.2Very high27 Ų2741 Ų4110%0.10223%0.231CC..Hα-helixtrans-58.8-46-179.8-177.816664.3-118.42.8111.4A249 D251 D252 E253 F258 A259 I287 S290 N294A249-R255 HydrophobicContact CB-CB 4.46Å; A249-R255 WeakPolarHBondContact O-CB 3.34Å; A249-R255 PolarHBondContact O-NH1 3.42Å; A249-R255 VanDerWaalsContact O-NH1 3.16Å; D251-R255 VanDerWaalsContact O-CB 3.29Å; D251-R255 WeakPolarHBondContact O-CB 3.36Å; D251-R255 PolarHBondContact O-N 3.07Å; D252-R255 PolarHBondContact O-N 3.4Å; D252-R255 IonicContact OD1-CZ 3.39Å; D252-R255 VanDerWaalsContact OD1-CZ 3.26Å; D252-R255 IonicContact OD1-NH1 2.79Å; D252-R255 PolarHBondContact OD1-NH1 3.35Å; D252-R255 IonicContact OD1-NH2 3.85Å; D252-R255 PolarHBondContact OD1-NH2 3.15Å; E253-R255 VanDerWaalsContact C-N 3.3Å; E253-R255 PolarHBondContact O-N 3.06Å; R255-F258 PolarHBondContact O-N 2.82Å; R255-A259 WeakPolarHBondContact O-CB 3.45Å; R255-A259 PolarHBondContact O-N 2.78Å; R255-I287 WeakPolarHBondContact CD-O 3.08Å; R255-S290 PolarHBondContact NE-OG 2.93Å; R255-N294 PolarHBondContact NH1-OD1 3.22Å
256N91.4Very high90.9Very high88 Ų8843.1 Ų43.147%0.47124%0.239SC..Hα-helixtrans-62.8-43.4177.9-71.9-34000111.7D252 E253 N254 A259 Q260D252-N256 WeakPolarHBondContact O-CB 3.45Å; D252-N256 PolarHBondContact O-N 3.49Å; D252-N256 PolarHBondContact O-ND2 2.86Å; E253-N256 PolarHBondContact O-N 3.43Å; N254-N256 VanDerWaalsContact C-N 3.34Å; N254-N256 PolarHBondContact O-N 2.84Å; N256-A259 PolarHBondContact O-N 2.59Å; N256-Q260 VanDerWaalsContact O-CG 3.28Å; N256-Q260 WeakPolarHBondContact O-CG 3.38Å; N256-Q260 PolarHBondContact O-N 3.43Å
257E92.1Very high90.6Very high64 Ų6443.1 Ų43.130%0.29924%0.239SC..Hα-helixtrans-61.2-43.9176.2-77.8-60.8128.900112.4I215 E253 N254 R261I215-E257 HydrophobicContact CD1-CB 3.92Å; I215-E257 HydrophobicContact CD1-CG 3.94Å; E253-E257 PolarHBondContact O-N 2.59Å; N254-E257 PolarHBondContact O-N 3Å; E257-R261 WeakPolarHBondContact O-CD 3.42Å; E257-R261 VanDerWaalsContact O-CG 3.29Å; E257-R261 WeakPolarHBondContact O-CG 3.45Å; E257-R261 PolarHBondContact O-NE 3.03Å; E257-R261 IonicContact OE2-CZ 3.5Å; E257-R261 IonicContact OE2-NE 2.9Å; E257-R261 IonicContact OE2-NH2 3.08Å; E257-R261 PolarHBondContact OE2-NH2 2.89Å; E257-R261 VanDerWaalsContact OE2-NH2 3.12Å
258F92.4Very high90.2Very high0 Ų049.1 Ų49.10%026%0.264CS..Hα-helixtrans-69.8-37.6176.9-64-48000112.7I215 F218 L219 L245 L248 N254 R255 R261 V263 L288I215-F258 HydrophobicContact CG2-CD1 4.31Å; I215-F258 HydrophobicContact CG2-CE1 3.8Å; F218-F258 HydrophobicContact CD1-CE1 4.2Å; F218-F258 HydrophobicContact CD1-CZ 4.45Å; L219-F258 HydrophobicContact CD1-CD1 4.02Å; L219-F258 HydrophobicContact CD1-CE1 4.21Å; L219-F258 HydrophobicContact CD2-CD1 3.98Å; L219-F258 HydrophobicContact CD2-CE1 4.1Å; L219-F258 HydrophobicContact CG-CD1 4.24Å; L219-F258 HydrophobicContact CG-CE1 4.12Å; L245-F258 HydrophobicContact CD1-CB 4.41Å; L245-F258 HydrophobicContact CD1-CD1 4.04Å; L245-F258 HydrophobicContact CD1-CD2 3.69Å; L245-F258 HydrophobicContact CD1-CE1 4.21Å; L245-F258 HydrophobicContact CD1-CE2 3.88Å; L245-F258 HydrophobicContact CD1-CG 3.79Å; L245-F258 HydrophobicContact CD1-CZ 4.15Å; L248-F258 HydrophobicContact CB-CE2 3.79Å; L248-F258 HydrophobicContact CB-CZ 4.32Å; L248-F258 HydrophobicContact CD1-CE2 4.41Å; L248-F258 HydrophobicContact CD1-CZ 4.12Å; N254-F258 HydrophobicContact CB-CD2 4.28Å; N254-F258 HydrophobicContact CB-CE2 3.89Å; N254-F258 WeakPolarHBondContact O-CD2 3.25Å; N254-F258 WeakPolarHBondContact O-CG 3.2Å; N254-F258 PolarHBondContact O-N 3.31Å; R255-F258 PolarHBondContact O-N 2.82Å; F258-R261 PolarHBondContact O-N 3.45Å; F258-V263 HydrophobicContact CB-CG2 4.4Å; F258-V263 WeakPolarHBondContact O-CG2 3.45Å; F258-L288 HydrophobicContact CB-CD2 3.6Å; F258-L288 HydrophobicContact CD2-CD2 4.4Å; F258-L288 HydrophobicContact CG-CD2 4.42Å
259A85.4Confident89.7Confident50 Ų5054.4 Ų54.441%0.41329%0.292SS..Hα-helixtrans-71.1-31.9-179.300000113.2R255 N256 R261R255-A259 WeakPolarHBondContact O-CB 3.45Å; R255-A259 PolarHBondContact O-N 2.78Å; N256-A259 PolarHBondContact O-N 2.59Å; A259-R261 PolarHBondContact O-N 3.47Å
260Q82.2Confident89Confident152 Ų15255.1 Ų55.171%0.7130%0.295SS*.THydrogen-bonded Turntrans-69.4-17.4173.4-73.5177.234.100112.9N256N256-Q260 VanDerWaalsContact O-CG 3.28Å; N256-Q260 WeakPolarHBondContact O-CG 3.38Å; N256-Q260 PolarHBondContact O-N 3.43Å
261R83.8Confident88.1Confident63 Ų6357.1 Ų57.124%0.23831%0.309CS..THydrogen-bonded Turntrans-96.8166.3178.9-63.4174.1-162.5-144.44.6110.3E216 L219 E257 F258 A259 V263E216-R261 IonicContact OE2-CZ 3.69Å; E216-R261 IonicContact OE2-NH1 3.46Å; E216-R261 PolarHBondContact OE2-NH1 2.96Å; L219-R261 HydrophobicContact CD1-CG 4.43Å; E257-R261 WeakPolarHBondContact O-CD 3.42Å; E257-R261 VanDerWaalsContact O-CG 3.29Å; E257-R261 WeakPolarHBondContact O-CG 3.45Å; E257-R261 PolarHBondContact O-NE 3.03Å; E257-R261 IonicContact OE2-CZ 3.5Å; E257-R261 IonicContact OE2-NE 2.9Å; E257-R261 IonicContact OE2-NH2 3.08Å; E257-R261 PolarHBondContact OE2-NH2 2.89Å; E257-R261 VanDerWaalsContact OE2-NH2 3.12Å; F258-R261 PolarHBondContact O-N 3.45Å; A259-R261 PolarHBondContact O-N 3.47Å; R261-V263 HydrophobicContact CB-CG2 3.98Å; R261-V263 PolarHBondContact O-N 3.23Å
262A85.2Confident86.9Confident78 Ų7865.2 Ų65.265%0.64534%0.343SS*.THydrogen-bonded Turntrans-72.817.6-177.300000114.4V264 G265 R266A262-V264 VanDerWaalsContact C-N 3.34Å; A262-V264 PolarHBondContact O-N 2.96Å; A262-G265 WeakPolarHBondContact O-CA 3.15Å; A262-G265 PolarHBondContact O-N 3.03Å; A262-R266 WeakPolarHBondContact O-CG 3.46Å; A262-R266 PolarHBondContact O-N 3.19Å
263V89Confident85.8Confident5 Ų565.9 Ų65.93%0.0336%0.355CS..Hα-helixtrans-57.2-43.4-170.9-179.50000112L219 F222 L245 F258 R261 G265 R266 L267 L288L219-V263 HydrophobicContact CD1-CG2 4.43Å; L219-V263 HydrophobicContact CD2-CG2 3.62Å; F222-V263 HydrophobicContact CE1-CG1 4.13Å; L245-V263 HydrophobicContact CD1-CG1 4.38Å; L245-V263 HydrophobicContact CD2-CG1 3.52Å; F258-V263 HydrophobicContact CB-CG2 4.4Å; F258-V263 WeakPolarHBondContact O-CG2 3.45Å; R261-V263 HydrophobicContact CB-CG2 3.98Å; R261-V263 PolarHBondContact O-N 3.23Å; V263-G265 VanDerWaalsContact C-N 3.3Å; V263-G265 PolarHBondContact O-N 2.94Å; V263-R266 PolarHBondContact O-N 3.45Å; V263-R266 VanDerWaalsContact O-N 3.17Å; V263-L267 HydrophobicContact CG1-CD1 4.19Å; V263-L267 HydrophobicContact CG1-CG 4.39Å; V263-L267 WeakPolarHBondContact O-CG 3.09Å; V263-L267 PolarHBondContact O-N 2.94Å; V263-L288 HydrophobicContact CG1-CD1 4.09Å
264V87.3Confident84.5Confident35 Ų3561 Ų6121%0.21233%0.332CS..Hα-helixtrans-62.9-37.1177.8175.90000111.8A262 K268 I285 L288A262-V264 VanDerWaalsContact C-N 3.34Å; A262-V264 PolarHBondContact O-N 2.96Å; V264-K268 WeakPolarHBondContact O-CG 3.26Å; V264-K268 PolarHBondContact O-N 3.17Å; V264-I285 HydrophobicContact CG1-CG1 4.44Å; V264-I285 HydrophobicContact CG1-CG2 4.2Å; V264-L288 HydrophobicContact CG2-CB 4.26Å; V264-L288 HydrophobicContact CG2-CD1 4.09Å
265G88.1Confident83Confident44 Ų4461.7 Ų61.745%0.45434%0.337SS..Hα-helixtrans-66.5-40.9175.200000111.8A262 V263 K268A262-G265 WeakPolarHBondContact O-CA 3.15Å; A262-G265 PolarHBondContact O-N 3.03Å; V263-G265 VanDerWaalsContact C-N 3.3Å; V263-G265 PolarHBondContact O-N 2.94Å; G265-K268 PolarHBondContact O-N 3.37Å
266R88.3Confident81.7Confident44 Ų4464.3 Ų64.317%0.16635%0.353CS..Hα-helixtrans-68.2-42.4178.8-61.7-71.5-75174-8.7112.2F222 D223 I226 D227 A262 V263 K268 L269F222-R266 HydrophobicContact CE1-CB 4.03Å; D223-R266 VanDerWaalsContact CA-NH2 3.3Å; D223-R266 PolarHBondContact O-NH2 3.36Å; D223-R266 IonicContact OD1-CZ 3.45Å; D223-R266 IonicContact OD1-NE 3.29Å; D223-R266 PolarHBondContact OD1-NE 2.99Å; D223-R266 IonicContact OD1-NH2 2.82Å; D223-R266 PolarHBondContact OD1-NH2 2.76Å; I226-R266 HydrophobicContact CD1-CB 3.77Å; D227-R266 IonicContact OD1-CZ 3.27Å; D227-R266 VanDerWaalsContact OD1-CZ 3.27Å; D227-R266 IonicContact OD1-NH1 2.71Å; D227-R266 PolarHBondContact OD1-NH1 3.12Å; D227-R266 IonicContact OD1-NH2 2.65Å; D227-R266 PolarHBondContact OD1-NH2 3.41Å; D227-R266 IonicContact OD2-CZ 3.7Å; D227-R266 IonicContact OD2-NH1 3.73Å; D227-R266 IonicContact OD2-NH2 2.93Å; D227-R266 PolarHBondContact OD2-NH2 2.97Å; A262-R266 WeakPolarHBondContact O-CG 3.46Å; A262-R266 PolarHBondContact O-N 3.19Å; V263-R266 PolarHBondContact O-N 3.45Å; V263-R266 VanDerWaalsContact O-N 3.17Å; R266-K268 PolarHBondContact O-N 3.5Å; R266-L269 VanDerWaalsContact O-CB 3.3Å; R266-L269 WeakPolarHBondContact O-CB 3.49Å; R266-L269 PolarHBondContact O-N 3.29Å
267L87.2Confident80.3Confident0 Ų063.2 Ų63.20%036%0.363CS..Hα-helixtrans-56.2-33.9174.6-79.2170.3000113F222 N242 L245 V263 L269 L270 I281 T284 I285 L288F222-L267 HydrophobicContact CE2-CD2 4.27Å; F222-L267 HydrophobicContact CZ-CD2 3.69Å; F222-L267 HydrophobicContact CZ-CG 4Å; N242-L267 WeakPolarHBondContact OD1-CD2 3.25Å; L245-L267 HydrophobicContact CD2-CD1 3.97Å; L245-L267 HydrophobicContact CD2-CD2 4.2Å; L245-L267 HydrophobicContact CD2-CG 4.35Å; V263-L267 HydrophobicContact CG1-CD1 4.19Å; V263-L267 HydrophobicContact CG1-CG 4.39Å; V263-L267 WeakPolarHBondContact O-CG 3.09Å; V263-L267 PolarHBondContact O-N 2.94Å; L267-L269 PolarHBondContact O-N 2.91Å; L267-L270 HydrophobicContact CD2-CD1 3.98Å; L267-L270 WeakPolarHBondContact O-CB 3.26Å; L267-L270 PolarHBondContact O-N 3.29Å; L267-I281 HydrophobicContact CB-CG2 4.3Å; L267-T284 HydrophobicContact CD1-CG2 3.71Å; L267-I285 HydrophobicContact CB-CG1 4.45Å; L267-I285 HydrophobicContact CD1-CG1 4.14Å; L267-L288 HydrophobicContact CD1-CD1 3.76Å
268K85.9Confident79.5Confident150 Ų15060.3 Ų60.365%0.65235%0.35SS*.THydrogen-bonded Turntrans-70-14.9177.7-69.7172.9-177.9178.60113.8V264 G265 R266 I285V264-K268 WeakPolarHBondContact O-CG 3.26Å; V264-K268 PolarHBondContact O-N 3.17Å; G265-K268 PolarHBondContact O-N 3.37Å; R266-K268 PolarHBondContact O-N 3.5Å; K268-I285 HydrophobicContact CG-CD1 4.25Å
269L85.8Confident79.2Confident111 Ų11166 Ų6658%0.58138%0.38SS*.THydrogen-bonded Turntrans-82.4-18.3175.5-56.1177.3000112.1I226 R266 L267I226-L269 HydrophobicContact CG2-CB 4.23Å; I226-L269 HydrophobicContact CG2-CD1 4.13Å; R266-L269 VanDerWaalsContact O-CB 3.3Å; R266-L269 WeakPolarHBondContact O-CB 3.49Å; R266-L269 PolarHBondContact O-N 3.29Å; L267-L269 PolarHBondContact O-N 2.91Å
270L80.7Confident79.3Confident14 Ų1463.7 Ų63.77%0.07336%0.361CS..SBendtrans-67.3137.1179.5-69.2176000111I226 A238 L267 K272 L274 I281I226-L270 HydrophobicContact CD1-CD2 4.38Å; I226-L270 HydrophobicContact CD1-CG 4.42Å; I226-L270 HydrophobicContact CG1-CD2 3.83Å; I226-L270 HydrophobicContact CG1-CG 4.39Å; A238-L270 HydrophobicContact CB-CD2 3.7Å; L267-L270 HydrophobicContact CD2-CD1 3.98Å; L267-L270 WeakPolarHBondContact O-CB 3.26Å; L267-L270 PolarHBondContact O-N 3.29Å; L270-K272 PolarHBondContact O-N 3.33Å; L270-L274 HydrophobicContact CB-CD2 4.42Å; L270-L274 HydrophobicContact CD1-CD2 4.1Å; L270-L274 HydrophobicContact CD2-CD2 4.31Å; L270-I281 HydrophobicContact CB-CD1 3.79Å
271P75.9Confident79.7Confident53 Ų5357.6 Ų57.634%0.34433%0.333SS..  trans-59.3137.2175.8-23.334.4000111.2I230 S273 L274I230-P271 HydrophobicContact CD1-CG 3.59Å; P271-S273 WeakPolarHBondContact CB-OG 3.38Å; P271-S273 PolarHBondContact O-N 2.99Å; P271-S273 VanDerWaalsContact O-N 3.17Å; P271-L274 WeakPolarHBondContact O-CB 3.19Å; P271-L274 PolarHBondContact O-N 2.68Å
272K71.6Confident80Confident186 Ų18657.4 Ų57.481%0.80934%0.341SS*.G310 helixtrans-60.4-25.1172.2-67.7-171.8177.6-172.70112.8L270 L274 S275L270-K272 PolarHBondContact O-N 3.33Å; K272-L274 PolarHBondContact O-N 2.87Å; K272-S275 PolarHBondContact O-N 2.85Å; K272-S275 PolarHBondContact O-OG 3.19Å
273S68.1Low80.4Confident96 Ų9653.8 Ų53.867%0.67131%0.311SS*.G310 helixtrans-63.1-21.8175.354.80000113.3P271 S275 N276P271-S273 WeakPolarHBondContact CB-OG 3.38Å; P271-S273 PolarHBondContact O-N 2.99Å; P271-S273 VanDerWaalsContact O-N 3.17Å; S273-S275 PolarHBondContact O-N 3.24Å; S273-S275 VanDerWaalsContact O-N 3.17Å; S273-N276 PolarHBondContact O-N 3.27Å
274L65.1Low80.6Confident19 Ų1953.5 Ų53.510%0.09931%0.309CS..G310 helixtrans-61.8-23.2179.5-156.788.4000112.1I230 A238 F239 L270 P271 K272 N276I230-L274 HydrophobicContact CD1-CD1 3.54Å; I230-L274 HydrophobicContact CG1-CD1 3.87Å; I230-L274 HydrophobicContact CG2-CD1 3.85Å; A238-L274 HydrophobicContact CB-CD1 4.28Å; A238-L274 HydrophobicContact CB-CD2 3.95Å; F239-L274 HydrophobicContact CB-CD2 4.12Å; F239-L274 HydrophobicContact CB-CG 3.96Å; F239-L274 HydrophobicContact CD2-CG 4.43Å; F239-L274 WeakPolarHBondContact CD2-O 3.32Å; F239-L274 WeakPolarHBondContact CE2-O 3.26Å; L270-L274 HydrophobicContact CB-CD2 4.42Å; L270-L274 HydrophobicContact CD1-CD2 4.1Å; L270-L274 HydrophobicContact CD2-CD2 4.31Å; P271-L274 WeakPolarHBondContact O-CB 3.19Å; P271-L274 PolarHBondContact O-N 2.68Å; K272-L274 PolarHBondContact O-N 2.87Å; L274-N276 VanDerWaalsContact C-N 3.28Å; L274-N276 PolarHBondContact O-N 2.71Å
275S63.3Low80.9Confident16 Ų1653.5 Ų53.511%0.11231%0.308CS..G310 helixtrans-83.34-174.972.60000114.4K272 S273 G277 T278K272-S275 PolarHBondContact O-N 2.85Å; K272-S275 PolarHBondContact O-OG 3.19Å; S273-S275 PolarHBondContact O-N 3.24Å; S273-S275 VanDerWaalsContact O-N 3.17Å; S275-G277 PolarHBondContact O-N 3.39Å; S275-T278 WeakPolarHBondContact CB-O 3.03Å; S275-T278 PolarHBondContact O-N 2.73Å; S275-T278 PolarHBondContact O-OG1 2.83Å; S275-T278 PolarHBondContact OG-O 3.04Å
276N66.1Low81.2Confident82 Ų8254.7 Ų54.744%0.43930%0.299SS..THydrogen-bonded Turntrans46.736-176.7-75.6-2.5000113.2S273 L274 F308 N311S273-N276 PolarHBondContact O-N 3.27Å; L274-N276 VanDerWaalsContact C-N 3.28Å; L274-N276 PolarHBondContact O-N 2.71Å; N276-F308 HydrophobicContact CB-CD2 4.15Å; N276-F308 HydrophobicContact CB-CE2 4.07Å; N276-F308 WeakPolarHBondContact ND2-CE2 3.22Å; N276-N311 PolarHBondContact O-ND2 3.04Å
277G62Low81.5Confident66 Ų6652.8 Ų52.868%0.6829%0.292SS*.THydrogen-bonded Turntrans87.8-2.1179.500000115.9S275S275-G277 PolarHBondContact O-N 3.39Å
278T75.9Confident81.9Confident2 Ų253 Ų531%0.01229%0.293CS..SBendtrans-98.6165-17958.70000112.2S275 E280 E307S275-T278 WeakPolarHBondContact CB-O 3.03Å; S275-T278 PolarHBondContact O-N 2.73Å; S275-T278 PolarHBondContact O-OG1 2.83Å; S275-T278 PolarHBondContact OG-O 3.04Å; T278-E280 PolarHBondContact O-N 3.07Å; T278-E280 VanDerWaalsContact O-N 3.16Å; T278-E280 WeakPolarHBondContact OG1-CG 3.4Å; T278-E307 HydrophobicContact CG2-CB 4.15Å; T278-E307 HydrophobicContact CG2-CG 3.86Å
279D85.7Confident82.2Confident120 Ų12048.6 Ų48.664%0.64228%0.281SS*.  trans-88.537.3-177.5-80.3-33.2000113.4I281 S282 L283D279-I281 PolarHBondContact O-N 3.49Å; D279-S282 WeakPolarHBondContact O-CB 3.42Å; D279-S282 PolarHBondContact O-N 2.89Å; D279-S282 VanDerWaalsContact O-N 3.12Å; D279-L283 PolarHBondContact O-N 3.07Å
280E88.2Confident82.5Confident1 Ų146.5 Ų46.51%0.00528%0.276CS..Hα-helixtrans-61.7-41.2-167-64.1-84.8-135.900114.1F239 N242 K243 R246 T278 T284 L304F239-E280 HydrophobicContact CE2-CG 4.31Å; N242-E280 PolarHBondContact ND2-O 3.36Å; K243-E280 IonicContact NZ-OE1 3.37Å; K243-E280 PolarHBondContact NZ-OE1 3.07Å; R246-E280 IonicContact CZ-OE1 3.72Å; R246-E280 IonicContact CZ-OE2 3.27Å; R246-E280 IonicContact NH1-OE1 2.59Å; R246-E280 IonicContact NH1-OE2 3.94Å; R246-E280 PolarHBondContact NH1-OE2 3.38Å; R246-E280 VanDerWaalsContact NH2-CD 3.34Å; R246-E280 IonicContact NH2-OE1 2.78Å; R246-E280 PolarHBondContact NH2-OE1 3.16Å; R246-E280 IonicContact NH2-OE2 3.21Å; R246-E280 PolarHBondContact NH2-OE2 3.18Å; T278-E280 PolarHBondContact O-N 3.07Å; T278-E280 VanDerWaalsContact O-N 3.16Å; T278-E280 WeakPolarHBondContact OG1-CG 3.4Å; E280-T284 PolarHBondContact O-N 3.21Å; E280-T284 VanDerWaalsContact O-N 3.15Å; E280-T284 PolarHBondContact O-OG1 3.12Å; E280-L304 HydrophobicContact CG-CD1 4.27Å; E280-L304 VanDerWaalsContact OE2-CD1 3.22Å; E280-L304 WeakPolarHBondContact OE2-CD1 2.85Å
281I89.7Confident83Confident25 Ų2552 Ų5213%0.12830%0.301CS..Hα-helixtrans-70.7-38.8178.9-63.5167.9000109.8L267 L270 D279 T284 I285L267-I281 HydrophobicContact CB-CG2 4.3Å; L270-I281 HydrophobicContact CB-CD1 3.79Å; D279-I281 PolarHBondContact O-N 3.49Å; I281-T284 PolarHBondContact O-N 2.82Å; I281-I285 HydrophobicContact CG2-CD1 3.98Å; I281-I285 WeakPolarHBondContact O-CG1 3.38Å; I281-I285 PolarHBondContact O-N 3.31Å
282S90.9Very high83.7Confident59 Ų5950.7 Ų50.741%0.41329%0.291SS..Hα-helixtrans-62.3-46.9178.1-171.40000110.6D279 T284 I285 R286D279-S282 WeakPolarHBondContact O-CB 3.42Å; D279-S282 PolarHBondContact O-N 2.89Å; D279-S282 VanDerWaalsContact O-N 3.12Å; S282-T284 PolarHBondContact O-N 3.38Å; S282-I285 PolarHBondContact O-N 2.87Å; S282-R286 VanDerWaalsContact O-CG 3.29Å; S282-R286 WeakPolarHBondContact O-CG 3.17Å; S282-R286 PolarHBondContact O-N 3.02Å
283L93.9Very high84.8Confident1 Ų144.5 Ų44.51%0.00527%0.271CS..Hα-helixtrans-58.9-46.6175.5179.257.7000111.9D279 I285 R286 I287 L292 E300 I301 L304D279-L283 PolarHBondContact O-N 3.07Å; L283-I285 VanDerWaalsContact C-N 3.31Å; L283-I285 PolarHBondContact O-N 2.7Å; L283-R286 PolarHBondContact O-N 2.77Å; L283-I287 HydrophobicContact CD1-CD1 3.9Å; L283-I287 HydrophobicContact CD1-CG1 4.08Å; L283-I287 HydrophobicContact CG-CD1 3.85Å; L283-I287 HydrophobicContact CG-CG1 4.44Å; L283-I287 WeakPolarHBondContact O-CG1 3.43Å; L283-I287 PolarHBondContact O-N 3.19Å; L283-L292 HydrophobicContact CD1-CD1 3.57Å; L283-E300 HydrophobicContact CD1-CB 3.78Å; L283-E300 WeakPolarHBondContact CD1-OE2 3.31Å; L283-E300 HydrophobicContact CD2-CB 3.95Å; L283-I301 HydrophobicContact CD2-CG1 3.77Å; L283-L304 HydrophobicContact CB-CD1 3.98Å; L283-L304 HydrophobicContact CD2-CD1 3.51Å; L283-L304 HydrophobicContact CD2-CG 4.23Å; L283-L304 HydrophobicContact CG-CD1 4.39Å
284T93.9Very high86Confident0 Ų041.8 Ų41.80%025%0.249CC..Hα-helixtrans-57.8-43.5176.9-55.30000111.8N242 L245 R246 L267 E280 I281 S282 I287 L288N242-T284 PolarHBondContact ND2-OG1 3.36Å; N242-T284 VanDerWaalsContact OD1-CB 3.32Å; N242-T284 WeakPolarHBondContact OD1-CB 3.45Å; N242-T284 PolarHBondContact OD1-OG1 3.36Å; L245-T284 HydrophobicContact CB-CG2 4.46Å; L245-T284 HydrophobicContact CD2-CG2 3.87Å; L245-T284 HydrophobicContact CG-CG2 3.95Å; R246-T284 HydrophobicContact CB-CG2 4.22Å; L267-T284 HydrophobicContact CD1-CG2 3.71Å; E280-T284 PolarHBondContact O-N 3.21Å; E280-T284 VanDerWaalsContact O-N 3.15Å; E280-T284 PolarHBondContact O-OG1 3.12Å; I281-T284 PolarHBondContact O-N 2.82Å; S282-T284 PolarHBondContact O-N 3.38Å; T284-I287 PolarHBondContact O-N 3.21Å; T284-L288 HydrophobicContact CG2-CD1 4.06Å; T284-L288 WeakPolarHBondContact O-CB 3.08Å; T284-L288 WeakPolarHBondContact O-CG 3.32Å; T284-L288 PolarHBondContact O-N 3.47Å
285I93Very high87.4Confident34 Ų3446.8 Ų46.817%0.17428%0.276CS..Hα-helixtrans-63.2-42.7178-69.1169.8000111.2V264 L267 K268 I281 S282 L283 L288 S289V264-I285 HydrophobicContact CG1-CG1 4.44Å; V264-I285 HydrophobicContact CG1-CG2 4.2Å; L267-I285 HydrophobicContact CB-CG1 4.45Å; L267-I285 HydrophobicContact CD1-CG1 4.14Å; K268-I285 HydrophobicContact CG-CD1 4.25Å; I281-I285 HydrophobicContact CG2-CD1 3.98Å; I281-I285 WeakPolarHBondContact O-CG1 3.38Å; I281-I285 PolarHBondContact O-N 3.31Å; S282-I285 PolarHBondContact O-N 2.87Å; L283-I285 VanDerWaalsContact C-N 3.31Å; L283-I285 PolarHBondContact O-N 2.7Å; I285-L288 PolarHBondContact O-N 3.43Å; I285-S289 VanDerWaalsContact O-CB 3.3Å; I285-S289 WeakPolarHBondContact O-CB 3.48Å; I285-S289 PolarHBondContact O-N 3.42Å; I285-S289 PolarHBondContact O-OG 3.21Å
286R94.6Very high88.9Confident70 Ų7050.2 Ų50.226%0.26429%0.293SS..Hα-helixtrans-64.2-41.6178.4-69.1167.559.7-157.2-1.7112S282 L283 S289 S290 E291 L292 E300S282-R286 VanDerWaalsContact O-CG 3.29Å; S282-R286 WeakPolarHBondContact O-CG 3.17Å; S282-R286 PolarHBondContact O-N 3.02Å; L283-R286 PolarHBondContact O-N 2.77Å; R286-S289 PolarHBondContact O-N 2.85Å; R286-S290 PolarHBondContact O-N 3.18Å; R286-E291 HydrophobicContact CB-CB 4.34Å; R286-E291 WeakPolarHBondContact CG-OE2 3.44Å; R286-E291 PolarHBondContact O-N 3.16Å; R286-L292 HydrophobicContact CB-CD1 4.14Å; R286-L292 HydrophobicContact CB-CG 4.39Å; R286-E300 IonicContact CZ-OE1 3.09Å; R286-E300 IonicContact CZ-OE2 3.82Å; R286-E300 IonicContact NH1-OE1 2.7Å; R286-E300 PolarHBondContact NH1-OE1 3.49Å; R286-E300 IonicContact NH1-OE2 2.73Å; R286-E300 PolarHBondContact NH1-OE2 3.2Å; R286-E300 IonicContact NH2-OE1 2.64Å; R286-E300 PolarHBondContact NH2-OE1 2.81Å; R286-E300 IonicContact NH2-OE2 3.25Å; R286-E300 PolarHBondContact NH2-OE2 3.2Å
287I95Very high90.3Very high4 Ų446.3 Ų46.32%0.02127%0.272CS..Hα-helixtrans-62.6-51.4175.1-66.1168.4000109.8R246 A249 R255 L283 T284 S289 S290 L292 A297 I301R246-I287 HydrophobicContact CB-CD1 3.94Å; A249-I287 HydrophobicContact CB-CG2 3.74Å; R255-I287 WeakPolarHBondContact CD-O 3.08Å; L283-I287 HydrophobicContact CD1-CD1 3.9Å; L283-I287 HydrophobicContact CD1-CG1 4.08Å; L283-I287 HydrophobicContact CG-CD1 3.85Å; L283-I287 HydrophobicContact CG-CG1 4.44Å; L283-I287 WeakPolarHBondContact O-CG1 3.43Å; L283-I287 PolarHBondContact O-N 3.19Å; T284-I287 PolarHBondContact O-N 3.21Å; I287-S289 PolarHBondContact O-N 2.94Å; I287-S290 PolarHBondContact O-N 2.75Å; I287-L292 HydrophobicContact CG1-CD1 4.26Å; I287-A297 HydrophobicContact CD1-CB 3.93Å; I287-A297 HydrophobicContact CG1-CB 3.77Å; I287-I301 HydrophobicContact CD1-CD1 3.96Å; I287-I301 HydrophobicContact CD1-CG1 4.25Å
288L94.5Very high91.9Very high4 Ų445.5 Ų45.52%0.02125%0.251CS..Hα-helixtrans-59.3-35.5178.9-74.3170.5000112.9L245 A249 F258 V263 V264 L267 T284 I285 S290L245-L288 HydrophobicContact CD2-CD1 4.3Å; A249-L288 HydrophobicContact CB-CD2 3.74Å; A249-L288 HydrophobicContact CB-CG 4.34Å; F258-L288 HydrophobicContact CB-CD2 3.6Å; F258-L288 HydrophobicContact CD2-CD2 4.4Å; F258-L288 HydrophobicContact CG-CD2 4.42Å; V263-L288 HydrophobicContact CG1-CD1 4.09Å; V264-L288 HydrophobicContact CG2-CB 4.26Å; V264-L288 HydrophobicContact CG2-CD1 4.09Å; L267-L288 HydrophobicContact CD1-CD1 3.76Å; T284-L288 HydrophobicContact CG2-CD1 4.06Å; T284-L288 WeakPolarHBondContact O-CB 3.08Å; T284-L288 WeakPolarHBondContact O-CG 3.32Å; T284-L288 PolarHBondContact O-N 3.47Å; I285-L288 PolarHBondContact O-N 3.43Å; L288-S290 PolarHBondContact O-N 3.2Å
289S92.4Very high92.8Very high58 Ų5849.1 Ų49.141%0.40627%0.274SS..THydrogen-bonded Turntrans-79.12.1179.3-52.80000113.3I285 R286 I287 E291I285-S289 VanDerWaalsContact O-CB 3.3Å; I285-S289 WeakPolarHBondContact O-CB 3.48Å; I285-S289 PolarHBondContact O-N 3.42Å; I285-S289 PolarHBondContact O-OG 3.21Å; R286-S289 PolarHBondContact O-N 2.85Å; I287-S289 PolarHBondContact O-N 2.94Å; S289-E291 PolarHBondContact O-N 3.35Å
290S91.5Very high93.3Very high67 Ų6746 Ų4647%0.46926%0.255SS..THydrogen-bonded Turntrans55.530.9-175.1-51.30000113.2R255 R286 I287 L288 L292R255-S290 PolarHBondContact NE-OG 2.93Å; R286-S290 PolarHBondContact O-N 3.18Å; I287-S290 PolarHBondContact O-N 2.75Å; L288-S290 PolarHBondContact O-N 3.2Å; S290-L292 VanDerWaalsContact C-N 3.27Å
291E91.8Very high93.6Very high128 Ų12846.7 Ų46.760%0.59826%0.259SS*.  trans-78.4-14.7177.4-68.7178.8-164.900112.7R286 S289R286-E291 HydrophobicContact CB-CB 4.34Å; R286-E291 WeakPolarHBondContact CG-OE2 3.44Å; R286-E291 PolarHBondContact O-N 3.16Å; S289-E291 PolarHBondContact O-N 3.35Å
292L91.7Very high93.8Very high26 Ų2651.5 Ų51.514%0.13628%0.279CS..SBendtrans-119.7143.8-179.4-70.2175.9000110.3L283 R286 I287 S290 D296 A297L283-L292 HydrophobicContact CD1-CD1 3.57Å; R286-L292 HydrophobicContact CB-CD1 4.14Å; R286-L292 HydrophobicContact CB-CG 4.39Å; I287-L292 HydrophobicContact CG1-CD1 4.26Å; S290-L292 VanDerWaalsContact C-N 3.27Å; L292-D296 HydrophobicContact CB-CB 4.47Å; L292-D296 HydrophobicContact CD2-CB 4.04Å; L292-A297 HydrophobicContact CB-CB 4.22Å; L292-A297 HydrophobicContact CD1-CB 4.4Å
293S93.6Very high93.9Very high56 Ų5653.6 Ų53.639%0.39229%0.285SS..  trans-66.6157.5162.176.10000109.8D295 D296 A297S293-D295 PolarHBondContact O-N 3.23Å; S293-D296 PolarHBondContact O-N 3.11Å; S293-D296 PolarHBondContact OG-N 3.43Å; S293-D296 VanDerWaalsContact OG-N 3.14Å; S293-D296 PolarHBondContact OG-OD2 3.16Å; S293-A297 WeakPolarHBondContact O-CB 3.32Å; S293-A297 PolarHBondContact O-N 2.92Å
294N93Very high93.9Very high40 Ų4054.5 Ų54.521%0.21429%0.29CS..Hα-helixtrans-59-34.7176.6-77.1-7.4000112.1I205 L250 R255 I298I205-N294 HydrophobicContact CD1-CB 3.91Å; L250-N294 PolarHBondContact O-ND2 3.42Å; L250-N294 PolarHBondContact O-OD1 2.98Å; R255-N294 PolarHBondContact NH1-OD1 3.22Å; N294-I298 WeakPolarHBondContact O-CB 3.42Å; N294-I298 WeakPolarHBondContact O-CD1 3.39Å; N294-I298 WeakPolarHBondContact O-CG1 3.39Å; N294-I298 PolarHBondContact O-N 3.28Å
295D94.2Very high93.8Very high124 Ų12454.8 Ų54.866%0.66329%0.292SS*.Hα-helixtrans-68.7-42.5178-70.2-25.4000112.1S293 T299S293-D295 PolarHBondContact O-N 3.23Å; D295-T299 WeakPolarHBondContact O-CB 3.49Å; D295-T299 PolarHBondContact O-N 3.21Å; D295-T299 PolarHBondContact O-OG1 3.29Å
296D96.2Very high93.8Very high87 Ų8758.5 Ų58.547%0.46531%0.31SS..Hα-helixtrans-66.1-43.7175.7-62.9-43000110.7L292 S293 T299 E300L292-D296 HydrophobicContact CB-CB 4.47Å; L292-D296 HydrophobicContact CD2-CB 4.04Å; S293-D296 PolarHBondContact O-N 3.11Å; S293-D296 PolarHBondContact OG-N 3.43Å; S293-D296 VanDerWaalsContact OG-N 3.14Å; S293-D296 PolarHBondContact OG-OD2 3.16Å; D296-T299 WeakPolarHBondContact O-CB 3.43Å; D296-T299 PolarHBondContact O-N 2.86Å; D296-E300 PolarHBondContact O-N 2.84Å
297A95.7Very high93.8Very high1 Ų159 Ų591%0.00832%0.315CS..Hα-helixtrans-58.9-49.3175.900000111.5L250 I287 L292 S293 T299 E300 I301L250-A297 HydrophobicContact CD2-CB 3.62Å; I287-A297 HydrophobicContact CD1-CB 3.93Å; I287-A297 HydrophobicContact CG1-CB 3.77Å; L292-A297 HydrophobicContact CB-CB 4.22Å; L292-A297 HydrophobicContact CD1-CB 4.4Å; S293-A297 WeakPolarHBondContact O-CB 3.32Å; S293-A297 PolarHBondContact O-N 2.92Å; A297-T299 VanDerWaalsContact C-N 3.26Å; A297-T299 PolarHBondContact O-N 3.43Å; A297-E300 PolarHBondContact O-N 3.44Å; A297-I301 WeakPolarHBondContact O-CB 3.4Å; A297-I301 WeakPolarHBondContact O-CG1 3.38Å; A297-I301 PolarHBondContact O-N 2.86Å
298I94.3Very high93.6Very high48 Ų4859.1 Ų59.125%0.24632%0.316CS..Hα-helixtrans-59.6-39.6177.2-73.1166.4000111.2I205 L250 N294 K302I205-I298 HydrophobicContact CD1-CD1 4.1Å; L250-I298 HydrophobicContact CD1-CD1 4.39Å; L250-I298 HydrophobicContact CD1-CG1 3.8Å; L250-I298 HydrophobicContact CD2-CG1 4.24Å; N294-I298 WeakPolarHBondContact O-CB 3.42Å; N294-I298 WeakPolarHBondContact O-CD1 3.39Å; N294-I298 WeakPolarHBondContact O-CG1 3.39Å; N294-I298 PolarHBondContact O-N 3.28Å; I298-K302 HydrophobicContact CG2-CD 4.34Å; I298-K302 WeakPolarHBondContact O-CG 3.36Å; I298-K302 PolarHBondContact O-N 3.45Å; I298-K302 VanDerWaalsContact O-N 3.1Å
299T95.7Very high93.5Very high78 Ų7859.5 Ų59.548%0.47932%0.318SS..Hα-helixtrans-65-47.7178.3-59.50000111.1D295 D296 A297 K302 L303D295-T299 WeakPolarHBondContact O-CB 3.49Å; D295-T299 PolarHBondContact O-N 3.21Å; D295-T299 PolarHBondContact O-OG1 3.29Å; D296-T299 WeakPolarHBondContact O-CB 3.43Å; D296-T299 PolarHBondContact O-N 2.86Å; A297-T299 VanDerWaalsContact C-N 3.26Å; A297-T299 PolarHBondContact O-N 3.43Å; T299-K302 PolarHBondContact O-N 3.15Å; T299-L303 HydrophobicContact CG2-CD1 4.38Å; T299-L303 WeakPolarHBondContact O-CG 3.29Å; T299-L303 PolarHBondContact O-N 3.44Å
300E95.2Very high93.5Very high55 Ų5561.9 Ų61.926%0.25733%0.327SS..Hα-helixtrans-64.7-39.8177.3-71.9-166-148.800112.5L283 R286 D296 A297 K302 L303 L304L283-E300 HydrophobicContact CD1-CB 3.78Å; L283-E300 WeakPolarHBondContact CD1-OE2 3.31Å; L283-E300 HydrophobicContact CD2-CB 3.95Å; R286-E300 IonicContact CZ-OE1 3.09Å; R286-E300 IonicContact CZ-OE2 3.82Å; R286-E300 IonicContact NH1-OE1 2.7Å; R286-E300 PolarHBondContact NH1-OE1 3.49Å; R286-E300 IonicContact NH1-OE2 2.73Å; R286-E300 PolarHBondContact NH1-OE2 3.2Å; R286-E300 IonicContact NH2-OE1 2.64Å; R286-E300 PolarHBondContact NH2-OE1 2.81Å; R286-E300 IonicContact NH2-OE2 3.25Å; R286-E300 PolarHBondContact NH2-OE2 3.2Å; D296-E300 PolarHBondContact O-N 2.84Å; A297-E300 PolarHBondContact O-N 3.44Å; E300-K302 VanDerWaalsContact C-N 3.31Å; E300-K302 PolarHBondContact O-N 3.11Å; E300-L303 PolarHBondContact O-N 2.95Å; E300-L304 WeakPolarHBondContact O-CG 3.42Å; E300-L304 PolarHBondContact O-N 3.36Å
301I94.3Very high93.4Very high15 Ų1561.7 Ų61.78%0.07732%0.321CS..Hα-helixtrans-57.4-46.3174.6-69.1170.7000110.4L250 L283 I287 A297 L303 L304 A305L250-I301 HydrophobicContact CD1-CD1 4.22Å; L250-I301 HydrophobicContact CD2-CD1 4.27Å; L250-I301 HydrophobicContact CG-CD1 4.49Å; L283-I301 HydrophobicContact CD2-CG1 3.77Å; I287-I301 HydrophobicContact CD1-CD1 3.96Å; I287-I301 HydrophobicContact CD1-CG1 4.25Å; A297-I301 WeakPolarHBondContact O-CB 3.4Å; A297-I301 WeakPolarHBondContact O-CG1 3.38Å; A297-I301 PolarHBondContact O-N 2.86Å; I301-L303 VanDerWaalsContact C-N 3.35Å; I301-L303 PolarHBondContact O-N 3.2Å; I301-L304 PolarHBondContact O-N 3.08Å; I301-A305 WeakPolarHBondContact O-CB 3.45Å; I301-A305 PolarHBondContact O-N 2.67Å
302K93.9Very high93.4Very high127 Ų12756.3 Ų56.355%0.55230%0.295SS*.Hα-helixtrans-63.2-40.1178-74175.5-179-179.80112.2I298 T299 E300 A305 M306I298-K302 HydrophobicContact CG2-CD 4.34Å; I298-K302 WeakPolarHBondContact O-CG 3.36Å; I298-K302 PolarHBondContact O-N 3.45Å; I298-K302 VanDerWaalsContact O-N 3.1Å; T299-K302 PolarHBondContact O-N 3.15Å; E300-K302 VanDerWaalsContact C-N 3.31Å; E300-K302 PolarHBondContact O-N 3.11Å; K302-A305 PolarHBondContact O-N 3.31Å; K302-M306 VanDerWaalsContact O-CG 3.29Å; K302-M306 WeakPolarHBondContact O-CG 2.82Å; K302-M306 PolarHBondContact O-N 3.09Å
303L94Very high93.4Very high103 Ų10357.3 Ų57.354%0.53930%0.303SS..Hα-helixtrans-64.8-45.8177.7-70.8172.5000111.7T299 E300 I301 A305 M306 E307T299-L303 HydrophobicContact CG2-CD1 4.38Å; T299-L303 WeakPolarHBondContact O-CG 3.29Å; T299-L303 PolarHBondContact O-N 3.44Å; E300-L303 PolarHBondContact O-N 2.95Å; I301-L303 VanDerWaalsContact C-N 3.35Å; I301-L303 PolarHBondContact O-N 3.2Å; L303-A305 VanDerWaalsContact C-N 3.34Å; L303-A305 PolarHBondContact O-N 2.94Å; L303-M306 PolarHBondContact O-N 3.45Å; L303-E307 PolarHBondContact O-N 3.11Å
304L93.5Very high93.3Very high19 Ų1956.2 Ų56.210%0.09930%0.3CS..Hα-helixtrans-64.7-37.7176.5-66.4-169.8000112.2E280 L283 E300 I301 E307 F308E280-L304 HydrophobicContact CG-CD1 4.27Å; E280-L304 VanDerWaalsContact OE2-CD1 3.22Å; E280-L304 WeakPolarHBondContact OE2-CD1 2.85Å; L283-L304 HydrophobicContact CB-CD1 3.98Å; L283-L304 HydrophobicContact CD2-CD1 3.51Å; L283-L304 HydrophobicContact CD2-CG 4.23Å; L283-L304 HydrophobicContact CG-CD1 4.39Å; E300-L304 WeakPolarHBondContact O-CG 3.42Å; E300-L304 PolarHBondContact O-N 3.36Å; I301-L304 PolarHBondContact O-N 3.08Å; L304-E307 PolarHBondContact O-N 2.73Å; L304-F308 VanDerWaalsContact O-CB 3.28Å; L304-F308 WeakPolarHBondContact O-CB 3.49Å; L304-F308 PolarHBondContact O-N 2.51Å
305A92.8Very high93.1Very high6 Ų657 Ų575%0.0530%0.304CS..Hα-helixtrans-61.3-43.1173.500000112.1E163 I301 K302 L303 F308 C309E163-A305 HydrophobicContact CB-CB 3.55Å; I301-A305 WeakPolarHBondContact O-CB 3.45Å; I301-A305 PolarHBondContact O-N 2.67Å; K302-A305 PolarHBondContact O-N 3.31Å; L303-A305 VanDerWaalsContact C-N 3.34Å; L303-A305 PolarHBondContact O-N 2.94Å; A305-F308 PolarHBondContact O-N 2.88Å; A305-C309 WeakPolarHBondContact O-CB 3.24Å; A305-C309 PolarHBondContact O-N 2.83Å; A305-C309 PolarHBondContact O-SG 3.44Å
306M93.3Very high93.1Very high112 Ų11251.2 Ų51.255%0.55227%0.273SS*.Hα-helixtrans-63.8-45.6175.1-71175.3-167.700111.7K302 L303 C309 N310K302-M306 VanDerWaalsContact O-CG 3.29Å; K302-M306 WeakPolarHBondContact O-CG 2.82Å; K302-M306 PolarHBondContact O-N 3.09Å; L303-M306 PolarHBondContact O-N 3.45Å; M306-C309 PolarHBondContact O-N 3.27Å; M306-N310 WeakPolarHBondContact O-CB 3.31Å; M306-N310 PolarHBondContact O-N 3.06Å; M306-N310 PolarHBondContact O-ND2 3.45Å
307E92.7Very high92.8Very high81 Ų8151.5 Ų51.538%0.37927%0.274SS..Hα-helixtrans-60.3-45.9176.8-172.5179.8-179.500111.5T278 L303 L304 C309 N310 N311T278-E307 HydrophobicContact CG2-CB 4.15Å; T278-E307 HydrophobicContact CG2-CG 3.86Å; L303-E307 PolarHBondContact O-N 3.11Å; L304-E307 PolarHBondContact O-N 2.73Å; E307-C309 PolarHBondContact O-N 2.88Å; E307-N310 PolarHBondContact O-N 2.83Å; E307-N311 VanDerWaalsContact O-CG 3.27Å; E307-N311 PolarHBondContact O-N 2.93Å; E307-N311 PolarHBondContact O-OD1 3.19Å
308F91.6Very high92.6Very high6 Ų658 Ų583%0.02630%0.304CS..Hα-helixtrans-58.1-47.6175177.1-101.9000112.1Y162 F239 N276 L304 A305 N310 N311 M312Y162-F308 HydrophobicContact CD1-CD1 4.12Å; Y162-F308 AromaticContact CD1-CE1 3.53Å; Y162-F308 HydrophobicContact CD1-CE1 3.53Å; Y162-F308 AromaticContact CE1-CE1 3.92Å; Y162-F308 HydrophobicContact CE1-CE1 3.92Å; Y162-F308 HydrophobicContact CG-CE1 4.3Å; F239-F308 HydrophobicContact CE1-CD2 4.35Å; F239-F308 AromaticContact CE1-CE2 3.57Å; F239-F308 HydrophobicContact CE1-CE2 3.57Å; F239-F308 AromaticContact CE1-CZ 3.73Å; F239-F308 HydrophobicContact CE1-CZ 3.73Å; F239-F308 AromaticContact CZ-CD2 3.84Å; F239-F308 HydrophobicContact CZ-CD2 3.84Å; F239-F308 AromaticContact CZ-CE2 3.47Å; F239-F308 HydrophobicContact CZ-CE2 3.47Å; F239-F308 VanDerWaalsContact CZ-CE2 3.47Å; F239-F308 HydrophobicContact CZ-CZ 4.07Å; N276-F308 HydrophobicContact CB-CD2 4.15Å; N276-F308 HydrophobicContact CB-CE2 4.07Å; N276-F308 WeakPolarHBondContact ND2-CE2 3.22Å; L304-F308 VanDerWaalsContact O-CB 3.28Å; L304-F308 WeakPolarHBondContact O-CB 3.49Å; L304-F308 PolarHBondContact O-N 2.51Å; A305-F308 PolarHBondContact O-N 2.88Å; F308-N310 VanDerWaalsContact C-N 3.31Å; F308-N310 PolarHBondContact O-N 3.27Å; F308-N311 PolarHBondContact O-N 3.46Å; F308-M312 HydrophobicContact CE1-CG 4.16Å; F308-M312 HydrophobicContact CE2-CG 4.36Å; F308-M312 HydrophobicContact CZ-CG 4.07Å; F308-M312 HydrophobicContact CZ-SD 4.46Å; F308-M312 VanDerWaalsContact O-CG 3.32Å; F308-M312 WeakPolarHBondContact O-CG 3.39Å; F308-M312 PolarHBondContact O-N 2.99Å
309C92.5Very high92.3Very high12 Ų1256.5 Ų56.58%0.08130%0.298CS..Hα-helixtrans-60.8-40.1176.4-70.20000112.2I113 Y162 A305 M306 E307 M312 T313I113-C309 HydrophobicContact CD1-CB 3.57Å; I113-C309 WeakPolarHBondContact CD1-SG 3.35Å; Y162-C309 PolarHBondContact O-SG 2.95Å; A305-C309 WeakPolarHBondContact O-CB 3.24Å; A305-C309 PolarHBondContact O-N 2.83Å; A305-C309 PolarHBondContact O-SG 3.44Å; M306-C309 PolarHBondContact O-N 3.27Å; E307-C309 PolarHBondContact O-N 2.88Å; C309-M312 PolarHBondContact O-N 3.22Å; C309-T313 WeakPolarHBondContact O-CB 3.38Å; C309-T313 PolarHBondContact O-N 3.29Å; C309-T313 PolarHBondContact O-OG1 3.02Å
310N92.1Very high91.8Very high109 Ų10955.9 Ų55.958%0.58329%0.287SS*.Hα-helixtrans-67.1-42.6177.9-70.1-20.5000111.5M306 E307 F308 M312 T313 G314M306-N310 WeakPolarHBondContact O-CB 3.31Å; M306-N310 PolarHBondContact O-N 3.06Å; M306-N310 PolarHBondContact O-ND2 3.45Å; E307-N310 PolarHBondContact O-N 2.83Å; F308-N310 VanDerWaalsContact C-N 3.31Å; F308-N310 PolarHBondContact O-N 3.27Å; N310-M312 VanDerWaalsContact C-N 3.35Å; N310-M312 PolarHBondContact O-N 3.34Å; N310-T313 PolarHBondContact O-N 3.14Å; N310-G314 PolarHBondContact O-N 3.28Å
311N90.5Very high91.1Very high63 Ų6358.8 Ų58.834%0.33731%0.308SS..Hα-helixtrans-61.3-44.2175.6-69.7-10.4000111N276 E307 F308 G314 I315N276-N311 PolarHBondContact O-ND2 3.04Å; E307-N311 VanDerWaalsContact O-CG 3.27Å; E307-N311 PolarHBondContact O-N 2.93Å; E307-N311 PolarHBondContact O-OD1 3.19Å; F308-N311 PolarHBondContact O-N 3.46Å; N311-G314 PolarHBondContact O-N 2.89Å; N311-I315 WeakPolarHBondContact O-CG1 3.49Å; N311-I315 PolarHBondContact O-N 3.01Å
312M90.3Very high89.8Confident14 Ų1461 Ų617%0.06932%0.317CS..Hα-helixtrans-63.1-42.7175.8-69.7-65.6-7200111.8I113 Y162 F308 C309 N310 G314 I315 E316I113-M312 HydrophobicContact CG2-CB 4.27Å; Y162-M312 HydrophobicContact CE1-CB 4.37Å; Y162-M312 HydrophobicContact CE1-CE 4.01Å; Y162-M312 HydrophobicContact CE1-CG 4.07Å; F308-M312 HydrophobicContact CE1-CG 4.16Å; F308-M312 HydrophobicContact CE2-CG 4.36Å; F308-M312 HydrophobicContact CZ-CG 4.07Å; F308-M312 HydrophobicContact CZ-SD 4.46Å; F308-M312 VanDerWaalsContact O-CG 3.32Å; F308-M312 WeakPolarHBondContact O-CG 3.39Å; F308-M312 PolarHBondContact O-N 2.99Å; C309-M312 PolarHBondContact O-N 3.22Å; N310-M312 VanDerWaalsContact C-N 3.35Å; N310-M312 PolarHBondContact O-N 3.34Å; M312-G314 VanDerWaalsContact C-N 3.32Å; M312-G314 PolarHBondContact O-N 2.87Å; M312-I315 PolarHBondContact O-N 2.99Å; M312-I315 HydrophobicContact SD-CD1 4.43Å; M312-E316 WeakPolarHBondContact O-CG 3.29Å; M312-E316 PolarHBondContact O-N 3.16Å
313T92.2Very high88.1Confident48 Ų4860.9 Ų60.929%0.29433%0.327SS..Hα-helixtrans-63.3-39.4175.5-53.20000111.2C309 N310 I315 E316 D317C309-T313 WeakPolarHBondContact O-CB 3.38Å; C309-T313 PolarHBondContact O-N 3.29Å; C309-T313 PolarHBondContact O-OG1 3.02Å; N310-T313 PolarHBondContact O-N 3.14Å; T313-I315 PolarHBondContact O-N 3.43Å; T313-E316 WeakPolarHBondContact O-CB 3.14Å; T313-E316 PolarHBondContact O-N 3.48Å; T313-D317 PolarHBondContact O-N 3.37Å
314G91.5Very high86.4Confident32 Ų3259.9 Ų59.933%0.3332%0.32SS..Hα-helixtrans-60.5-42.9174.100000112.8N310 N311 M312 E316 D317 E318N310-G314 PolarHBondContact O-N 3.28Å; N311-G314 PolarHBondContact O-N 2.89Å; M312-G314 VanDerWaalsContact C-N 3.32Å; M312-G314 PolarHBondContact O-N 2.87Å; G314-E316 VanDerWaalsContact C-N 3.34Å; G314-E316 PolarHBondContact O-N 3.28Å; G314-D317 PolarHBondContact O-N 2.54Å; G314-E318 WeakPolarHBondContact O-CG 3.12Å; G314-E318 PolarHBondContact O-N 3.28Å
315I89.2Confident84.2Confident58 Ų5862.1 Ų62.130%0.29735%0.348SS..Hα-helixtrans-64.6-39.4174.8-62.9164.4000111T51 N311 M312 T313 E318 V319T51-I315 HydrophobicContact CG2-CG2 4.31Å; N311-I315 WeakPolarHBondContact O-CG1 3.49Å; N311-I315 PolarHBondContact O-N 3.01Å; M312-I315 PolarHBondContact O-N 2.99Å; M312-I315 HydrophobicContact SD-CD1 4.43Å; T313-I315 PolarHBondContact O-N 3.43Å; I315-E318 PolarHBondContact O-N 2.78Å; I315-V319 PolarHBondContact O-N 2.93Å
316E92.9Very high82Confident2 Ų265 Ų651%0.00936%0.358CS..Hα-helixtrans-60.5-45.9173.5-70.6-175.3173.300111.3T51 V55 S112 I113 S114 M312 T313 G314 E318 V319 R320T51-E316 HydrophobicContact CG2-CB 4.34Å; T51-E316 HydrophobicContact CG2-CG 3.72Å; V55-E316 HydrophobicContact CG2-CB 3.84Å; V55-E316 HydrophobicContact CG2-CG 3.61Å; S112-E316 WeakPolarHBondContact CA-OE1 3.2Å; S112-E316 VanDerWaalsContact CB-OE1 3.25Å; S112-E316 WeakPolarHBondContact CB-OE1 3.23Å; S112-E316 PolarHBondContact OG-OE1 3.16Å; I113-E316 PolarHBondContact N-OE1 3.43Å; S114-E316 WeakPolarHBondContact CB-OE2 3.43Å; S114-E316 PolarHBondContact N-OE1 2.91Å; S114-E316 PolarHBondContact OG-OE1 2.95Å; S114-E316 VanDerWaalsContact OG-OE1 3.05Å; S114-E316 PolarHBondContact OG-OE2 3.12Å; M312-E316 WeakPolarHBondContact O-CG 3.29Å; M312-E316 PolarHBondContact O-N 3.16Å; T313-E316 WeakPolarHBondContact O-CB 3.14Å; T313-E316 PolarHBondContact O-N 3.48Å; G314-E316 VanDerWaalsContact C-N 3.34Å; G314-E316 PolarHBondContact O-N 3.28Å; E316-E318 VanDerWaalsContact C-N 3.34Å; E316-E318 PolarHBondContact O-N 3.27Å; E316-V319 VanDerWaalsContact O-CG2 3.29Å; E316-V319 WeakPolarHBondContact O-CG2 3.14Å; E316-V319 PolarHBondContact O-N 3.42Å; E316-R320 WeakPolarHBondContact O-CB 3.33Å; E316-R320 PolarHBondContact O-N 3.27Å; E316-R320 IonicContact OE2-NH2 3.12Å; E316-R320 PolarHBondContact OE2-NH2 3.17Å
317D91.3Very high79.9Confident93 Ų9362.1 Ų62.150%0.49735%0.349SS..Hα-helixtrans-68.5-30.9-178.8-69.3-20.5000112.9T313 G314 V319 R320T313-D317 PolarHBondContact O-N 3.37Å; G314-D317 PolarHBondContact O-N 2.54Å; D317-V319 VanDerWaalsContact C-N 3.28Å; D317-V319 PolarHBondContact O-N 2.9Å; D317-R320 IonicContact OD1-CZ 3.74Å; D317-R320 IonicContact OD1-NE 3.95Å; D317-R320 PolarHBondContact OD1-NE 2.94Å; D317-R320 IonicContact OD1-NH2 2.73Å
318E90.5Very high77.6Confident137 Ų13761.8 Ų61.864%0.6435%0.35SS*.Hα-helixtrans-61.2-35.5171.6-79.1-177.4-163.600112.9K48 G314 I315 E316K48-E318 IonicContact NZ-OE2 2.77Å; K48-E318 PolarHBondContact NZ-OE2 3.26Å; G314-E318 WeakPolarHBondContact O-CG 3.12Å; G314-E318 PolarHBondContact O-N 3.28Å; I315-E318 PolarHBondContact O-N 2.78Å; E316-E318 VanDerWaalsContact C-N 3.34Å; E316-E318 PolarHBondContact O-N 3.27Å
319V88.1Confident75.2Confident17 Ų1768.4 Ų68.410%0.10339%0.385CS..Hα-helixtrans-99.3-20.2-176-57.70000113.2K48 T51 K52 I315 E316 D317 T321K48-V319 HydrophobicContact CB-CG1 4.43Å; T51-V319 HydrophobicContact CG2-CG2 3.84Å; K52-V319 HydrophobicContact CB-CB 3.97Å; K52-V319 HydrophobicContact CB-CG2 3.92Å; K52-V319 HydrophobicContact CD-CB 4.34Å; K52-V319 HydrophobicContact CG-CB 4.23Å; K52-V319 HydrophobicContact CG-CG2 4.39Å; K52-V319 PolarHBondContact NZ-O 3.43Å; I315-V319 PolarHBondContact O-N 2.93Å; E316-V319 VanDerWaalsContact O-CG2 3.29Å; E316-V319 WeakPolarHBondContact O-CG2 3.14Å; E316-V319 PolarHBondContact O-N 3.42Å; D317-V319 VanDerWaalsContact C-N 3.28Å; D317-V319 PolarHBondContact O-N 2.9Å; V319-T321 PolarHBondContact O-N 2.92Å
320R85.2Confident72.8Confident65 Ų6572.2 Ų72.225%0.24540%0.402CS..  trans-61.7125.8-176.4-173.4-176.9-57-87.8-4.4110.7V55 E316 D317 F322V55-R320 HydrophobicContact CG1-CB 3.96Å; V55-R320 HydrophobicContact CG1-CG 3.77Å; E316-R320 WeakPolarHBondContact O-CB 3.33Å; E316-R320 PolarHBondContact O-N 3.27Å; E316-R320 IonicContact OE2-NH2 3.12Å; E316-R320 PolarHBondContact OE2-NH2 3.17Å; D317-R320 IonicContact OD1-CZ 3.74Å; D317-R320 IonicContact OD1-NE 3.95Å; D317-R320 PolarHBondContact OD1-NE 2.94Å; D317-R320 IonicContact OD1-NH2 2.73Å; R320-F322 VanDerWaalsContact CG-O 3.23Å; R320-F322 WeakPolarHBondContact CG-O 3.32Å
321T81Confident70.5Confident115 Ų11573.2 Ų73.271%0.70640%0.398SS*.  trans-115.1-12.5169.6520000112.1K52 D56 V319K52-T321 PolarHBondContact NZ-OG1 3.43Å; D56-T321 PolarHBondContact OD1-N 2.63Å; D56-T321 PolarHBondContact OD2-N 3.05Å; D56-T321 PolarHBondContact OD2-OG1 3.41Å; V319-T321 PolarHBondContact O-N 2.92Å
322F66Low68.6Low63 Ų6371.4 Ų71.428%0.27639%0.389SS..  trans-113.2118.8-178.4-174.8-105.3000111.1D56 K60 R320 E324D56-F322 HydrophobicContact CB-CB 4.3Å; D56-F322 WeakPolarHBondContact OD1-CB 3.24Å; D56-F322 PolarHBondContact OD1-N 3.48Å; K60-F322 HydrophobicContact CD-CE1 4.31Å; K60-F322 HydrophobicContact CD-CZ 4.44Å; K60-F322 HydrophobicContact CG-CD1 3.89Å; K60-F322 HydrophobicContact CG-CE1 3.53Å; K60-F322 HydrophobicContact CG-CZ 4.05Å; R320-F322 VanDerWaalsContact CG-O 3.23Å; R320-F322 WeakPolarHBondContact CG-O 3.32Å; F322-E324 HydrophobicContact CD1-CB 4.3Å; F322-E324 HydrophobicContact CD1-CG 4.46Å; F322-E324 HydrophobicContact CE1-CB 3.53Å; F322-E324 HydrophobicContact CE1-CG 3.33Å; F322-E324 HydrophobicContact CE2-CG 4.5Å; F322-E324 HydrophobicContact CZ-CB 4.08Å; F322-E324 HydrophobicContact CZ-CG 3.38Å; F322-E324 VanDerWaalsContact CZ-OE1 3.24Å; F322-E324 WeakPolarHBondContact CZ-OE1 3.21Å
323T59.4Low66.2Low124 Ų12474 Ų7476%0.76141%0.407SS*.  trans-111.279.4175.255.80000109.8
324E57.9Low63.8Low81 Ų8175.4 Ų75.438%0.37941%0.41SS..  trans-75.7126.8149.4-95.8171.9-163.700106.5T61 F322 Y326T61-E324 PolarHBondContact N-OE2 2.91Å; T61-E324 VanDerWaalsContact N-OE2 3.07Å; T61-E324 PolarHBondContact OG1-OE2 2.77Å; F322-E324 HydrophobicContact CD1-CB 4.3Å; F322-E324 HydrophobicContact CD1-CG 4.46Å; F322-E324 HydrophobicContact CE1-CB 3.53Å; F322-E324 HydrophobicContact CE1-CG 3.33Å; F322-E324 HydrophobicContact CE2-CG 4.5Å; F322-E324 HydrophobicContact CZ-CB 4.08Å; F322-E324 HydrophobicContact CZ-CG 3.38Å; F322-E324 VanDerWaalsContact CZ-OE1 3.24Å; F322-E324 WeakPolarHBondContact CZ-OE1 3.21Å; E324-Y326 VanDerWaalsContact C-N 3.27Å; E324-Y326 PolarHBondContact O-N 3.18Å
325G47.9Very low61Low67 Ų6778.7 Ų78.769%0.69141%0.413SS*.  trans-68.981.7-177.500000111.4S327G325-S327 PolarHBondContact O-N 2.94Å
326Y47.2Very low58.3Low66 Ų6681.2 Ų81.226%0.25943%0.433SS..  trans-66.1103.7172.2-175.4-97.7000108.6K118 K121 E324K118-Y326 HydrophobicContact CB-CE2 4.11Å; K118-Y326 HydrophobicContact CD-CD2 4.21Å; K118-Y326 HydrophobicContact CD-CE2 3.95Å; K118-Y326 HydrophobicContact CG-CE2 3.83Å; K121-Y326 WeakPolarHBondContact CD-OH 3.46Å; E324-Y326 VanDerWaalsContact C-N 3.27Å; E324-Y326 PolarHBondContact O-N 3.18Å
327S47.1Very low55.5Low52 Ų5286.1 Ų86.136%0.36447%0.467SS..  trans-88.7138.1163.3176.40000108.8K121 G325 D329 E330K121-S327 PolarHBondContact NZ-O 3.39Å; G325-S327 PolarHBondContact O-N 2.94Å; S327-D329 PolarHBondContact O-N 2.98Å; S327-D329 WeakPolarHBondContact OG-CB 3.4Å; S327-D329 PolarHBondContact OG-N 2.7Å; S327-E330 WeakPolarHBondContact O-CB 3.26Å; S327-E330 PolarHBondContact O-N 3.39Å
328D45.1Very low52.6Low74 Ų7487.1 Ų87.140%0.39648%0.482SS..THydrogen-bonded Turntrans-55.8-19.2165.3-75.7-42.2000112.1R117 K121R117-D328 IonicContact CZ-OD1 3.17Å; R117-D328 IonicContact CZ-OD2 3.23Å; R117-D328 IonicContact NE-OD1 2.78Å; R117-D328 IonicContact NH2-OD1 2.72Å; R117-D328 PolarHBondContact NH2-OD1 3.25Å; R117-D328 IonicContact NH2-OD2 2.72Å; R117-D328 PolarHBondContact NH2-OD2 3.16Å; K121-D328 VanDerWaalsContact NZ-C 3.3Å; K121-D328 PolarHBondContact NZ-O 3.49Å
329D40.6Very low50Low145 Ų14588.1 Ų88.178%0.77549%0.487SS*.THydrogen-bonded Turntrans-88.7-10.8173.6-62.1-41.2000114.1S327 Y331S327-D329 PolarHBondContact O-N 2.98Å; S327-D329 WeakPolarHBondContact OG-CB 3.4Å; S327-D329 PolarHBondContact OG-N 2.7Å; D329-Y331 PolarHBondContact O-N 3.12Å
330E43.9Very low47.3Very low91 Ų9194.1 Ų94.143%0.42552%0.518SS..  trans-69.5116.5-176.9-164.7175.6-165.900110.6K121 S327 L332K121-E330 WeakPolarHBondContact CE-O 3.15Å; K121-E330 PolarHBondContact NZ-O 3.45Å; S327-E330 WeakPolarHBondContact O-CB 3.26Å; S327-E330 PolarHBondContact O-N 3.39Å; E330-L332 PolarHBondContact O-N 2.82Å
331Y43.7Very low44.5Very low130 Ų13099.1 Ų99.151%0.5154%0.544SS..  trans-71.5115.1-172.5-136.6-110.4000109.8D329 Q334D329-Y331 PolarHBondContact O-N 3.12Å; Y331-Q334 HydrophobicContact CD1-CG 4.34Å; Y331-Q334 HydrophobicContact CE1-CG 3.81Å; Y331-Q334 PolarHBondContact OH-NE2 3.36Å
332L49.1Very low41.9Very low26 Ų2699.3 Ų99.314%0.13655%0.546CS..PPolyproline II helixtrans-75.1149.3171.6-74.5169.3000109.9F64 K118 K121 E330 Q334F64-L332 HydrophobicContact CD1-CD2 4.12Å; F64-L332 HydrophobicContact CE1-CD1 3.94Å; F64-L332 HydrophobicContact CE1-CD2 4.13Å; K118-L332 HydrophobicContact CG-CD1 4.07Å; K118-L332 HydrophobicContact CG-CD2 4.47Å; K121-L332 HydrophobicContact CB-CD1 3.98Å; K121-L332 HydrophobicContact CD-CD1 4.09Å; K121-L332 HydrophobicContact CG-CD1 3.96Å; E330-L332 PolarHBondContact O-N 2.82Å; L332-Q334 PolarHBondContact O-N 3.07Å; L332-Q334 VanDerWaalsContact O-N 3.12Å
333P41.5Very low40.1Very low69 Ų69102.8 Ų102.845%0.44857%0.567SS.*PPolyproline II helixtrans-53.7120.4-171.8-27.235.3000112.6V65V65-P333 HydrophobicContact CG1-CG 4.42Å; V65-P333 HydrophobicContact CG2-CG 3.63Å
334Q41.7Very low38.5Very low76 Ų76104.5 Ų104.536%0.35557%0.571SS.*PPolyproline II helixtrans-80.1155.8164.1-69.9-176.9-1500109.1Y331 L332Y331-Q334 HydrophobicContact CD1-CG 4.34Å; Y331-Q334 HydrophobicContact CE1-CG 3.81Å; Y331-Q334 PolarHBondContact OH-NE2 3.36Å; L332-Q334 PolarHBondContact O-N 3.07Å; L332-Q334 VanDerWaalsContact O-N 3.12Å
335Y32.8Very low37.2Very low101 Ų101107.1 Ų107.140%0.39659%0.593SS.*  trans-42.4133.3177.4-88.9-94.2000112.2R76 M127 S337R76-Y335 PolarHBondContact NH2-OH 3.23Å; M127-Y335 HydrophobicContact CE-CE2 4.41Å; M127-Y335 HydrophobicContact SD-CE2 3.99Å; Y335-S337 PolarHBondContact O-N 3.37Å
336P31Very low36.1Very low112 Ų112112.8 Ų112.873%0.72760%0.601SS**  trans-65.2122146.6-1.819000106.3S338P336-S338 PolarHBondContact O-N 2.93Å
337S34.8Very low35Very low104 Ų104114.9 Ų114.973%0.72762%0.624SS**  trans-51.2129.6161.7420000107.9Y335 E339Y335-S337 PolarHBondContact O-N 3.37Å; S337-E339 PolarHBondContact O-N 3.18Å
338S30Very low33.9Very low115 Ų115117.1 Ų117.180%0.80464%0.64SS**SBendtrans-55.7106.117350.50000109.6P336P336-S338 PolarHBondContact O-N 2.93Å
339E37.1Very low33Very low157 Ų157122.8 Ų122.873%0.73466%0.664SS**  trans-161.7135.4150.7-104162.6-131.200107.3S337S337-E339 PolarHBondContact O-N 3.18Å
340N29.6Very low32.4Very low144 Ų144122.4 Ų122.477%0.7767%0.666SS**  trans-65.9152.8-173-63.1-45.5000111.8
341E27.8Very low31.6Very low170 Ų170125.3 Ų125.379%0.79468%0.684SS**  trans66.9132.2137.5-73.3171.4-172.600119.9
342T26.7Very low30.7Very low119 Ų119129 Ų12973%0.7370%0.702SS**  trans89.3115.1151.455.40000120
343D28.2Very low29.6Very low136 Ų136136.4 Ų136.473%0.72774%0.736SS**  trans90.495.9135.4-54.9-9.5000119.5V345D343-V345 PolarHBondContact O-N 2.75Å
344D25.4Very low28.9Very low159 Ų159142.8 Ų142.885%0.8576%0.757SS**  trans6.4104133.3-58.5-30.2000116.6
345V29.7Very low28.2Very low136 Ų136144.8 Ų144.882%0.82478%0.776SS**  trans-148113.2143.7-173.80000110.7D343D343-V345 PolarHBondContact O-N 2.75Å
346E24.7Very low28.1Very low186 Ų186148.4 Ų148.487%0.86980%0.797SS**  trans-68.9130.6163.3-163.3176.8-14300109.8
347C23.9Very low28.5Very low111 Ų111149.5 Ų149.575%0.7580%0.796SS**  trans-165.7100157.8-1040000113.9
348S25Very low29.1Very low98 Ų98149.7 Ų149.769%0.68579%0.789SS**  43121128.162.40000122.3
349E25Very low30.2Very low194 Ų194146 Ų14691%0.90777%0.769SS**  trans7.4113.6141.9-58.5-174.4159.200119.2
350V29.2Very low31.9Very low136 Ų136141.4 Ų141.482%0.82475%0.747SS**  trans-132.9100.7157.3-175.10000110.5
351I26.6Very low34.4Very low153 Ų153134.5 Ų134.579%0.78571%0.711SS**  trans25.4123.2140-53.1175.3000118.4E353I351-E353 PolarHBondContact O-N 3.42Å
352K25.5Very low37.1Very low208 Ų208126.6 Ų126.690%0.90467%0.674SS**  trans-65.4109.8173-64.9171.5177.7174.10112.6
353E26Very low40.1Very low180 Ų180121.1 Ų121.184%0.84164%0.64SS**  trans-129.1133.6153.7-73.5-166.8163.300110.1I351I351-E353 PolarHBondContact O-N 3.42Å
354K25.3Very low43Very low203 Ų203114.8 Ų114.888%0.88361%0.606SS**PPolyproline II helixtrans-70.6125.9177.2-82.61801751770109.4Q356K354-Q356 PolarHBondContact O-N 3.23Å
355P28.8Very low46.1Very low118 Ų118107.8 Ų107.877%0.76657%0.568SS**PPolyproline II helixtrans-71.2124.1178.927.9-31000110.4L357P355-L357 PolarHBondContact O-N 2.95Å
356Q29.9Very low48.8Very low178 Ų178102.1 Ų102.183%0.83253%0.533SS*.PPolyproline II helixtrans-67.4117.8164-79.8174.9-9.200108.4K354 N358K354-Q356 PolarHBondContact O-N 3.23Å; Q356-N358 PolarHBondContact O-N 3.15Å
357L40.2Very low51.6Low134 Ų13498 Ų9870%0.70251%0.513SS*.  trans-67.998177.3-84.3126.1000110.4P355 G359 A412P355-L357 PolarHBondContact O-N 2.95Å; L357-G359 PolarHBondContact O-N 2.96Å; L357-A412 HydrophobicContact CD2-CB 3.88Å
358N47.4Very low54.5Low108 Ų10897.8 Ų97.858%0.57851%0.505SS*.  trans-73.8116.2164.6-72.5-18.6000107.9Q356 H360Q356-N358 PolarHBondContact O-N 3.15Å; N358-H360 PolarHBondContact O-CD2 2.91Å; N358-H360 VanDerWaalsContact O-CD2 3.25Å; N358-H360 PolarHBondContact O-N 3.44Å
359G52.4Low57.6Low38 Ų3893.3 Ų93.339%0.39247%0.474SS..  trans-64.259.9-167.700000117L357L357-G359 PolarHBondContact O-N 2.96Å
360H71.9Confident60.5Low60 Ų6086.6 Ų86.628%0.27844%0.444SS..EExtended strand (participates in β ladder)trans-93.2141.6176.2-62.3-73.1000111N358 K386 V411 A412N358-H360 PolarHBondContact O-CD2 2.91Å; N358-H360 VanDerWaalsContact O-CD2 3.25Å; N358-H360 PolarHBondContact O-N 3.44Å; H360-K386 WeakPolarHBondContact CA-O 2.98Å; H360-K386 WeakPolarHBondContact ND1-CB 3.47Å; H360-V411 HydrophobicContact CB-CB 4.45Å; H360-V411 HydrophobicContact CB-CG1 3.89Å; H360-V411 CarbonylContact O-C 3.26Å; H360-V411 WeakPolarHBondContact O-CA 3.31Å; H360-V411 VanDerWaalsContact O-CB 3.31Å; H360-V411 WeakPolarHBondContact O-CB 3.47Å; H360-A412 PolarHBondContact O-N 3.45Å
361I82.2Confident63.3Low0 Ų088.3 Ų88.30%044%0.442CS..EExtended strand (participates in β ladder)trans-108.3131.3170.5-59.1-171000108.6I385 K386 I387 W388 I413 L415 I485 I493I361-I385 HydrophobicContact CB-CG2 4.49Å; I361-I385 HydrophobicContact CD1-CD1 4.44Å; I361-I385 HydrophobicContact CD1-CG2 3.69Å; I361-I385 HydrophobicContact CG1-CG2 3.87Å; I361-K386 PolarHBondContact N-O 2.99Å; I361-K386 VanDerWaalsContact N-O 3.1Å; I361-I387 CarbonylContact O-C 3.54Å; I361-I387 WeakPolarHBondContact O-CA 2.93Å; I361-W388 PolarHBondContact O-N 3.43Å; I361-I413 WeakPolarHBondContact CA-O 3.39Å; I361-I413 HydrophobicContact CG1-CB 4.35Å; I361-L415 HydrophobicContact CG2-CD1 3.91Å; I361-L415 HydrophobicContact CG2-CD2 4.16Å; I361-L415 HydrophobicContact CG2-CG 3.6Å; I361-I485 HydrophobicContact CD1-CD1 3.73Å; I361-I485 HydrophobicContact CD1-CG1 4.1Å; I361-I485 HydrophobicContact CD1-CG2 3.84Å; I361-I493 HydrophobicContact CD1-CD1 4.2Å; I361-I493 HydrophobicContact CG1-CD1 4.23Å
362M85.9Confident66.5Low4 Ų482.6 Ų82.62%0.0241%0.413CS..EExtended strand (participates in β ladder)trans-98.1140.9171.1176.9176.8171.700110.1W388 V408 V411 I413 V414 L415 A430M362-W388 WeakPolarHBondContact CA-O 3.06Å; M362-W388 HydrophobicContact CG-CE3 4.32Å; M362-W388 HydrophobicContact SD-CE3 4.48Å; M362-V408 HydrophobicContact CE-CG2 4.16Å; M362-V408 HydrophobicContact SD-CG2 3.57Å; M362-V408 VanDerWaalsContact SD-CG2 3.57Å; M362-V411 HydrophobicContact CB-CB 4.24Å; M362-V411 HydrophobicContact CB-CG1 3.74Å; M362-V411 HydrophobicContact CB-CG2 3.94Å; M362-I413 PolarHBondContact N-O 3.49Å; M362-V414 HydrophobicContact CB-CG2 4.46Å; M362-V414 CarbonylContact O-C 3.58Å; M362-V414 WeakPolarHBondContact O-CA 3.43Å; M362-L415 PolarHBondContact O-N 3.41Å; M362-A430 HydrophobicContact CE-CB 3.87Å
363I89.3Confident69.6Low3 Ų372.7 Ų72.72%0.01537%0.37CS..EExtended strand (participates in β ladder)trans-109.4114.7168.4-47.3-164.7000108.9A373 I376 I387 W388 I389 L415 L417I363-A373 HydrophobicContact CG2-CB 4.47Å; I363-I376 HydrophobicContact CD1-CG2 3.97Å; I363-I387 HydrophobicContact CD1-CG2 3.87Å; I363-I387 HydrophobicContact CG1-CG2 3.77Å; I363-W388 PolarHBondContact N-O 2.91Å; I363-I389 HydrophobicContact CB-CD1 4.04Å; I363-I389 HydrophobicContact CB-CG1 3.63Å; I363-I389 HydrophobicContact CD1-CD1 3.69Å; I363-I389 HydrophobicContact CD1-CG1 4.15Å; I363-I389 HydrophobicContact CG1-CD1 4.05Å; I363-I389 HydrophobicContact CG1-CG1 3.93Å; I363-I389 HydrophobicContact CG2-CG1 4.49Å; I363-L415 HydrophobicContact CD1-CD1 4Å; I363-L415 HydrophobicContact CG1-CB 4.33Å; I363-L415 HydrophobicContact CG1-CD1 4Å; I363-L415 HydrophobicContact CG1-CG 4.42Å; I363-L415 HydrophobicContact CG2-CB 4.37Å; I363-L417 HydrophobicContact CG2-CD1 3.44Å; I363-L417 VanDerWaalsContact CG2-CD1 3.44Å; I363-L417 HydrophobicContact CG2-CD2 4.29Å; I363-L417 HydrophobicContact CG2-CG 4.47Å
364S88.8Confident72.6Confident4 Ų465.7 Ų65.73%0.02834%0.338CS..EExtended strand (participates in β ladder)trans-95.3122.7170.4-173.80000109L415 L417 Y422 N427S364-L415 PolarHBondContact N-O 3.36Å; S364-L417 PolarHBondContact O-N 3.14Å; S364-Y422 WeakPolarHBondContact OG-CE2 2.98Å; S364-Y422 PolarHBondContact OG-OH 2.87Å; S364-N427 PolarHBondContact OG-O 2.93Å
365Y89.9Confident75.9Confident11 Ų1160.1 Ų60.14%0.04331%0.314CS..  trans-150.7162.5-171.770.2-70.6000110L370 A373 I389 D390 N427Y365-L370 HydrophobicContact CE2-CB 3.96Å; Y365-L370 HydrophobicContact CE2-CD1 3.5Å; Y365-L370 HydrophobicContact CE2-CG 4.34Å; Y365-L370 WeakPolarHBondContact OH-CD1 3.42Å; Y365-A373 HydrophobicContact CD1-CB 4.22Å; Y365-A373 HydrophobicContact CD2-CB 3.64Å; Y365-A373 HydrophobicContact CE2-CB 4.13Å; Y365-A373 HydrophobicContact CG-CB 3.71Å; Y365-I389 HydrophobicContact CE1-CG2 3.72Å; Y365-D390 PolarHBondContact OH-O 3.47Å; Y365-N427 PolarHBondContact O-ND2 2.93Å
366N87.1Confident78.9Confident18 Ų1854.5 Ų54.510%0.09628%0.278CS..  trans-90.5150.5167.9-174.6-69.2000109.5D368 D369 L370 S421 Y422 S425N366-D368 PolarHBondContact O-N 3.31Å; N366-D368 VanDerWaalsContact O-N 3.14Å; N366-D368 WeakPolarHBondContact OD1-CB 3.45Å; N366-D368 PolarHBondContact OD1-N 2.98Å; N366-D369 CarbonylContact O-C 3.59Å; N366-D369 WeakPolarHBondContact O-CA 3.17Å; N366-D369 PolarHBondContact O-N 2.9Å; N366-L370 PolarHBondContact O-N 3.39Å; N366-S421 VanDerWaalsContact ND2-C 3.32Å; N366-S421 PolarHBondContact ND2-O 2.68Å; N366-Y422 HydrophobicContact CB-CD2 4.45Å; N366-S425 WeakPolarHBondContact ND2-CB 3.37Å; N366-S425 PolarHBondContact ND2-OG 2.96Å
367H82.6Confident81.8Confident98 Ų9847.9 Ų47.945%0.45425%0.246SC..G310 helixtrans-53.3-31.9175.2-65.9-65000113.7D369 L370H367-D369 PolarHBondContact O-N 3.26Å; H367-L370 WeakPolarHBondContact O-CB 3.5Å; H367-L370 PolarHBondContact O-N 3.42Å; H367-L370 VanDerWaalsContact O-N 3.13Å
368D86.4Confident84.1Confident108 Ų10846.7 Ų46.758%0.57824%0.237SC*.G310 helixtrans-62.9-18.2173.8-70.1-10000113.8N366 S421N366-D368 PolarHBondContact O-N 3.31Å; N366-D368 VanDerWaalsContact O-N 3.14Å; N366-D368 WeakPolarHBondContact OD1-CB 3.45Å; N366-D368 PolarHBondContact OD1-N 2.98Å; D368-S421 WeakPolarHBondContact OD2-CB 3.43Å; D368-S421 PolarHBondContact OD2-OG 3.29Å
369D88.3Confident86.2Confident4 Ų442.5 Ų42.52%0.02122%0.216CC..G310 helixtrans-112.117.1-179.2-57.6-52.4000111.4N366 H367 E371 I372 A373 S419 V446 K447N366-D369 CarbonylContact O-C 3.59Å; N366-D369 WeakPolarHBondContact O-CA 3.17Å; N366-D369 PolarHBondContact O-N 2.9Å; H367-D369 PolarHBondContact O-N 3.26Å; D369-E371 VanDerWaalsContact C-N 3.33Å; D369-E371 PolarHBondContact O-N 2.9Å; D369-I372 HydrophobicContact CB-CG2 4.04Å; D369-I372 WeakPolarHBondContact O-CG2 3.48Å; D369-I372 PolarHBondContact O-N 3.26Å; D369-A373 WeakPolarHBondContact O-CB 3.41Å; D369-A373 PolarHBondContact O-N 3.22Å; D369-A373 VanDerWaalsContact O-N 3.07Å; D369-S419 VanDerWaalsContact OD2-CB 3.22Å; D369-S419 WeakPolarHBondContact OD2-CB 3.16Å; D369-S419 PolarHBondContact OD2-OG 2.77Å; D369-V446 HydrophobicContact CB-CG2 4.07Å; D369-V446 VanDerWaalsContact CG-CG2 3.46Å; D369-V446 WeakPolarHBondContact OD1-CG2 3.35Å; D369-K447 WeakPolarHBondContact OD1-CE 3.43Å; D369-K447 IonicContact OD1-NZ 2.75Å; D369-K447 PolarHBondContact OD1-NZ 3.15Å; D369-K447 VanDerWaalsContact OD1-NZ 3.15Å
370L85.9Confident87.8Confident53 Ų5340.7 Ų40.728%0.27720%0.197SC..Hα-helixtrans-58.6-40.7-178.617664.6000113Y365 N366 H367 I372 A373 I374 K391Y365-L370 HydrophobicContact CE2-CB 3.96Å; Y365-L370 HydrophobicContact CE2-CD1 3.5Å; Y365-L370 HydrophobicContact CE2-CG 4.34Å; Y365-L370 WeakPolarHBondContact OH-CD1 3.42Å; N366-L370 PolarHBondContact O-N 3.39Å; H367-L370 WeakPolarHBondContact O-CB 3.5Å; H367-L370 PolarHBondContact O-N 3.42Å; H367-L370 VanDerWaalsContact O-N 3.13Å; L370-I372 PolarHBondContact O-N 3.38Å; L370-A373 WeakPolarHBondContact O-CB 3.33Å; L370-A373 PolarHBondContact O-N 2.96Å; L370-I374 HydrophobicContact CD1-CD1 3.77Å; L370-I374 HydrophobicContact CD1-CG1 3.94Å; L370-I374 HydrophobicContact CD2-CD1 4.33Å; L370-I374 HydrophobicContact CG-CD1 3.69Å; L370-I374 HydrophobicContact CG-CG1 4.3Å; L370-I374 VanDerWaalsContact O-CG1 3.28Å; L370-I374 WeakPolarHBondContact O-CG1 3.14Å; L370-I374 PolarHBondContact O-N 3.1Å; L370-K391 HydrophobicContact CD1-CD 4.44Å
371E89.8Confident88.4Confident171 Ų17142.2 Ų42.280%0.79920%0.204SC*.Hα-helixtrans-60.4-48-177.3-173.2-177.9173.900111.6D369 I374 K375D369-E371 VanDerWaalsContact C-N 3.33Å; D369-E371 PolarHBondContact O-N 2.9Å; E371-I374 PolarHBondContact O-N 3.31Å; E371-K375 PolarHBondContact O-N 2.91Å
372I92.9Very high88.4Confident34 Ų3448.7 Ų48.717%0.17424%0.235CC..Hα-helixtrans-70.9-34.2177.8-174.362.8000111.6D369 L370 K375 I376 L417 V446 F468 F474D369-I372 HydrophobicContact CB-CG2 4.04Å; D369-I372 WeakPolarHBondContact O-CG2 3.48Å; D369-I372 PolarHBondContact O-N 3.26Å; L370-I372 PolarHBondContact O-N 3.38Å; I372-K375 PolarHBondContact O-N 3.48Å; I372-I376 HydrophobicContact CD1-CD1 4.35Å; I372-I376 HydrophobicContact CD1-CG1 4.36Å; I372-I376 HydrophobicContact CG1-CD1 4.01Å; I372-I376 HydrophobicContact CG1-CG1 4.46Å; I372-I376 VanDerWaalsContact O-CG1 3.32Å; I372-I376 WeakPolarHBondContact O-CG1 3.35Å; I372-I376 PolarHBondContact O-N 3.47Å; I372-L417 HydrophobicContact CG2-CD2 3.98Å; I372-V446 HydrophobicContact CG1-CG1 4.24Å; I372-V446 HydrophobicContact CG2-CB 4.08Å; I372-V446 HydrophobicContact CG2-CG1 3.83Å; I372-F468 HydrophobicContact CD1-CB 4.36Å; I372-F468 HydrophobicContact CD1-CD1 4.32Å; I372-F468 HydrophobicContact CG1-CB 4.34Å; I372-F474 HydrophobicContact CD1-CD2 4.22Å; I372-F474 HydrophobicContact CD1-CE2 3.99Å
373A91.2Very high87.9Confident0 Ų049.8 Ų49.80%024%0.24CC..Hα-helixtrans-61.1-44.917400000111.6I363 Y365 D369 L370 I376 K377 I389 L417I363-A373 HydrophobicContact CG2-CB 4.47Å; Y365-A373 HydrophobicContact CD1-CB 4.22Å; Y365-A373 HydrophobicContact CD2-CB 3.64Å; Y365-A373 HydrophobicContact CE2-CB 4.13Å; Y365-A373 HydrophobicContact CG-CB 3.71Å; D369-A373 WeakPolarHBondContact O-CB 3.41Å; D369-A373 PolarHBondContact O-N 3.22Å; D369-A373 VanDerWaalsContact O-N 3.07Å; L370-A373 WeakPolarHBondContact O-CB 3.33Å; L370-A373 PolarHBondContact O-N 2.96Å; A373-I376 PolarHBondContact O-N 3.29Å; A373-K377 WeakPolarHBondContact O-CB 3.48Å; A373-K377 PolarHBondContact O-N 3.17Å; A373-I389 HydrophobicContact CB-CD1 4.5Å; A373-L417 HydrophobicContact CB-CD2 3.72Å
374I89Confident87Confident32 Ų3255.8 Ų55.816%0.16427%0.272CS..Hα-helixtrans-63.1-46175-68.5164.1000110.5L370 E371 I376 K377 E378L370-I374 HydrophobicContact CD1-CD1 3.77Å; L370-I374 HydrophobicContact CD1-CG1 3.94Å; L370-I374 HydrophobicContact CD2-CD1 4.33Å; L370-I374 HydrophobicContact CG-CD1 3.69Å; L370-I374 HydrophobicContact CG-CG1 4.3Å; L370-I374 VanDerWaalsContact O-CG1 3.28Å; L370-I374 WeakPolarHBondContact O-CG1 3.14Å; L370-I374 PolarHBondContact O-N 3.1Å; E371-I374 PolarHBondContact O-N 3.31Å; I374-I376 VanDerWaalsContact C-N 3.33Å; I374-I376 PolarHBondContact O-N 3.07Å; I374-K377 WeakPolarHBondContact O-CA 3.47Å; I374-K377 WeakPolarHBondContact O-CB 3.5Å; I374-K377 PolarHBondContact O-N 3.16Å; I374-K377 VanDerWaalsContact O-N 3.09Å; I374-E378 HydrophobicContact CG2-CG 4.16Å; I374-E378 VanDerWaalsContact CG2-OE1 3.3Å; I374-E378 WeakPolarHBondContact CG2-OE1 3.33Å; I374-E378 WeakPolarHBondContact O-CG 3.32Å; I374-E378 PolarHBondContact O-N 2.94Å
375K93.2Very high85.9Confident87 Ų8756 Ų5638%0.37827%0.272SS..Hα-helixtrans-59.4-44.7179.8-168.2179.2179179.80112E371 I372 K377 S379 F474E371-K375 PolarHBondContact O-N 2.91Å; I372-K375 PolarHBondContact O-N 3.48Å; K375-K377 VanDerWaalsContact C-N 3.34Å; K375-S379 PolarHBondContact O-N 3.49Å; K375-S379 VanDerWaalsContact O-N 3.15Å; K375-S379 PolarHBondContact O-OG 3.26Å; K375-S379 VanDerWaalsContact O-OG 3.12Å; K375-F474 HydrophobicContact CB-CE2 4.41Å; K375-F474 HydrophobicContact CB-CZ 4.49Å; K375-F474 HydrophobicContact CD-CD1 4.48Å; K375-F474 HydrophobicContact CD-CD2 3.83Å; K375-F474 HydrophobicContact CD-CE1 4.34Å; K375-F474 HydrophobicContact CD-CE2 3.66Å; K375-F474 HydrophobicContact CD-CG 4.24Å; K375-F474 HydrophobicContact CD-CZ 3.95Å; K375-F474 HydrophobicContact CG-CD2 4.45Å; K375-F474 HydrophobicContact CG-CE1 4.23Å; K375-F474 HydrophobicContact CG-CE2 3.79Å; K375-F474 HydrophobicContact CG-CZ 3.68Å
376I92.7Very high84.8Confident0 Ų062.4 Ų62.40%030%0.301CS..Hα-helixtrans-64.3-40.9175.3-67.7169.7000110.7I363 I372 A373 I374 L380 L415 L417 L444 F468 F474 L481I363-I376 HydrophobicContact CD1-CG2 3.97Å; I372-I376 HydrophobicContact CD1-CD1 4.35Å; I372-I376 HydrophobicContact CD1-CG1 4.36Å; I372-I376 HydrophobicContact CG1-CD1 4.01Å; I372-I376 HydrophobicContact CG1-CG1 4.46Å; I372-I376 VanDerWaalsContact O-CG1 3.32Å; I372-I376 WeakPolarHBondContact O-CG1 3.35Å; I372-I376 PolarHBondContact O-N 3.47Å; A373-I376 PolarHBondContact O-N 3.29Å; I374-I376 VanDerWaalsContact C-N 3.33Å; I374-I376 PolarHBondContact O-N 3.07Å; I376-L380 HydrophobicContact CG2-CD1 3.81Å; I376-L380 HydrophobicContact CG2-CG 4.28Å; I376-L380 WeakPolarHBondContact O-CB 3.4Å; I376-L380 WeakPolarHBondContact O-CG 3.24Å; I376-L380 PolarHBondContact O-N 2.96Å; I376-L415 HydrophobicContact CG2-CD1 4.26Å; I376-L417 HydrophobicContact CD1-CD2 4.47Å; I376-L444 HydrophobicContact CD1-CD1 3.97Å; I376-F468 HydrophobicContact CD1-CD1 4.28Å; I376-F468 HydrophobicContact CD1-CD2 4.2Å; I376-F468 HydrophobicContact CD1-CE1 4.45Å; I376-F468 HydrophobicContact CD1-CE2 4.36Å; I376-F468 HydrophobicContact CD1-CG 4.14Å; I376-F468 HydrophobicContact CD1-CZ 4.48Å; I376-F468 HydrophobicContact CG1-CD1 4.49Å; I376-F468 HydrophobicContact CG1-CE1 4.36Å; I376-F474 HydrophobicContact CG1-CE2 4.07Å; I376-F474 HydrophobicContact CG1-CZ 4.38Å; I376-L481 HydrophobicContact CG2-CD2 3.87Å
377K89.9Confident83.8Confident39 Ų3962.6 Ų62.617%0.1730%0.302CS..Hα-helixtrans-55.8-56176-168-166.2174178.20111.3A373 I374 K375 S379 L380 Q381 I387 I389A373-K377 WeakPolarHBondContact O-CB 3.48Å; A373-K377 PolarHBondContact O-N 3.17Å; I374-K377 WeakPolarHBondContact O-CA 3.47Å; I374-K377 WeakPolarHBondContact O-CB 3.5Å; I374-K377 PolarHBondContact O-N 3.16Å; I374-K377 VanDerWaalsContact O-N 3.09Å; K375-K377 VanDerWaalsContact C-N 3.34Å; K377-S379 VanDerWaalsContact C-N 3.35Å; K377-S379 PolarHBondContact O-N 3.34Å; K377-L380 PolarHBondContact O-N 2.95Å; K377-Q381 HydrophobicContact CG-CG 4.47Å; K377-Q381 WeakPolarHBondContact O-CB 3.46Å; K377-Q381 VanDerWaalsContact O-CG 3.29Å; K377-Q381 WeakPolarHBondContact O-CG 3.48Å; K377-Q381 PolarHBondContact O-N 2.9Å; K377-I387 HydrophobicContact CB-CD1 4.47Å; K377-I387 HydrophobicContact CG-CB 4.25Å; K377-I387 HydrophobicContact CG-CD1 4.1Å; K377-I387 HydrophobicContact CG-CG2 4Å; K377-I387 WeakPolarHBondContact O-CD1 3.32Å; K377-I389 HydrophobicContact CB-CD1 3.5Å; K377-I389 VanDerWaalsContact CB-CD1 3.5Å; K377-I389 HydrophobicContact CD-CB 4.46Å; K377-I389 HydrophobicContact CD-CD1 3.67Å; K377-I389 HydrophobicContact CG-CD1 3.64Å
378E89.6Confident83.1Confident109 Ų10961.4 Ų61.451%0.50929%0.293SS..Hα-helixtrans-60.4-46.6-174.7-71.5172.5170.600110.2I374 L380 Q381 E382I374-E378 HydrophobicContact CG2-CG 4.16Å; I374-E378 VanDerWaalsContact CG2-OE1 3.3Å; I374-E378 WeakPolarHBondContact CG2-OE1 3.33Å; I374-E378 WeakPolarHBondContact O-CG 3.32Å; I374-E378 PolarHBondContact O-N 2.94Å; E378-L380 PolarHBondContact O-N 3.05Å; E378-Q381 PolarHBondContact O-N 3.48Å; E378-E382 WeakPolarHBondContact O-CG 3.41Å; E378-E382 PolarHBondContact O-N 2.98Å
379S90.6Very high82Confident20 Ų2056.9 Ų56.914%0.1427%0.269CS..Hα-helixtrans-64.2-40.1177.8-58.30000113.3K375 K377 Q381 E382 E383 F478K375-S379 PolarHBondContact O-N 3.49Å; K375-S379 VanDerWaalsContact O-N 3.15Å; K375-S379 PolarHBondContact O-OG 3.26Å; K375-S379 VanDerWaalsContact O-OG 3.12Å; K377-S379 VanDerWaalsContact C-N 3.35Å; K377-S379 PolarHBondContact O-N 3.34Å; S379-Q381 VanDerWaalsContact C-N 3.35Å; S379-E382 WeakPolarHBondContact O-CB 3.15Å; S379-E382 PolarHBondContact O-N 3.41Å; S379-E383 PolarHBondContact O-N 3.26Å; S379-F478 VanDerWaalsContact O-CZ 3.31Å; S379-F478 WeakPolarHBondContact O-CZ 3.45Å
380L87.5Confident80.8Confident0 Ų058.2 Ų58.20%028%0.276CS..Hα-helixtrans-71.2-29.5176-74.8176.9000112.1I376 K377 E378 E383 I385 I387 L415 F478 L481 I485I376-L380 HydrophobicContact CG2-CD1 3.81Å; I376-L380 HydrophobicContact CG2-CG 4.28Å; I376-L380 WeakPolarHBondContact O-CB 3.4Å; I376-L380 WeakPolarHBondContact O-CG 3.24Å; I376-L380 PolarHBondContact O-N 2.96Å; K377-L380 PolarHBondContact O-N 2.95Å; E378-L380 PolarHBondContact O-N 3.05Å; L380-E383 WeakPolarHBondContact O-CB 3.32Å; L380-E383 PolarHBondContact O-N 3.35Å; L380-I385 HydrophobicContact CB-CD1 4.36Å; L380-I385 HydrophobicContact CD2-CD1 3.79Å; L380-I385 WeakPolarHBondContact O-CB 3.38Å; L380-I385 PolarHBondContact O-N 2.97Å; L380-I387 HydrophobicContact CB-CD1 3.17Å; L380-I387 HydrophobicContact CB-CG1 4.21Å; L380-I387 HydrophobicContact CD1-CD1 3.85Å; L380-I387 HydrophobicContact CG-CD1 4.14Å; L380-L415 HydrophobicContact CD1-CD1 3.8Å; L380-F478 HydrophobicContact CB-CE2 4.5Å; L380-F478 HydrophobicContact CD2-CE2 3.77Å; L380-F478 HydrophobicContact CD2-CZ 3.84Å; L380-F478 HydrophobicContact CG-CE2 3.79Å; L380-F478 HydrophobicContact CG-CZ 4.13Å; L380-L481 HydrophobicContact CD1-CD2 4.33Å; L380-L481 HydrophobicContact CD2-CD2 4.37Å; L380-I485 HydrophobicContact CD1-CD1 4.29Å; L380-I485 HydrophobicContact CD2-CD1 3.71Å
381Q82.7Confident78.7Confident91 Ų9161.1 Ų61.143%0.42529%0.286SS..Hα-helixtrans-69.3-33.6173.6-75-178.5-66.900112K377 E378 S379 E383 D384 I387K377-Q381 HydrophobicContact CG-CG 4.47Å; K377-Q381 WeakPolarHBondContact O-CB 3.46Å; K377-Q381 VanDerWaalsContact O-CG 3.29Å; K377-Q381 WeakPolarHBondContact O-CG 3.48Å; K377-Q381 PolarHBondContact O-N 2.9Å; E378-Q381 PolarHBondContact O-N 3.48Å; S379-Q381 VanDerWaalsContact C-N 3.35Å; Q381-E383 PolarHBondContact O-N 3.02Å; Q381-D384 PolarHBondContact O-N 3.37Å; Q381-I387 HydrophobicContact CG-CD1 3.97Å
382E83.1Confident76.4Confident137 Ų13760.4 Ų60.464%0.6428%0.283SS*.Hα-helixtrans-60.1-32.3171.7-71.2175.1179.600111.9E378 S379 D384 K496E378-E382 WeakPolarHBondContact O-CG 3.41Å; E378-E382 PolarHBondContact O-N 2.98Å; S379-E382 WeakPolarHBondContact O-CB 3.15Å; S379-E382 PolarHBondContact O-N 3.41Å; E382-D384 PolarHBondContact O-N 2.75Å; E382-K496 WeakPolarHBondContact O-CD 3.28Å; E382-K496 PolarHBondContact O-NZ 3.33Å
383E74.3Confident73.7Confident27 Ų2765.2 Ų65.213%0.12631%0.305CS..THydrogen-bonded Turntrans-78.98.9173.4-66.7-63.5145.700114.4S379 L380 Q381 I385 F478 L495 K496 H497S379-E383 PolarHBondContact O-N 3.26Å; L380-E383 WeakPolarHBondContact O-CB 3.32Å; L380-E383 PolarHBondContact O-N 3.35Å; Q381-E383 PolarHBondContact O-N 3.02Å; E383-I385 VanDerWaalsContact C-N 3.34Å; E383-I385 HydrophobicContact CB-CD1 4.41Å; E383-I385 HydrophobicContact CB-CG1 4.33Å; E383-F478 HydrophobicContact CG-CE1 4.3Å; E383-F478 HydrophobicContact CG-CZ 4.41Å; E383-L495 HydrophobicContact CB-CD2 3.92Å; E383-L495 HydrophobicContact CG-CD2 4.36Å; E383-K496 WeakPolarHBondContact OE2-CB 3.46Å; E383-K496 PolarHBondContact OE2-N 3.45Å; E383-H497 PolarHBondContact OE2-N 3Å
384D70.4Confident71.1Confident128 Ų12870.8 Ų70.868%0.68433%0.332SS*.THydrogen-bonded Turntrans68.425.4178.8-151.225.1000114.8Q381 E382Q381-D384 PolarHBondContact O-N 3.37Å; E382-D384 PolarHBondContact O-N 2.75Å
385I66.8Low68.2Low8 Ų874.7 Ų74.74%0.04136%0.357CS..  trans-92.4129.9176.4-50.9176.7000109.9I361 L380 E383 I387 I493 L495I361-I385 HydrophobicContact CB-CG2 4.49Å; I361-I385 HydrophobicContact CD1-CD1 4.44Å; I361-I385 HydrophobicContact CD1-CG2 3.69Å; I361-I385 HydrophobicContact CG1-CG2 3.87Å; L380-I385 HydrophobicContact CB-CD1 4.36Å; L380-I385 HydrophobicContact CD2-CD1 3.79Å; L380-I385 WeakPolarHBondContact O-CB 3.38Å; L380-I385 PolarHBondContact O-N 2.97Å; E383-I385 VanDerWaalsContact C-N 3.34Å; E383-I385 HydrophobicContact CB-CD1 4.41Å; E383-I385 HydrophobicContact CB-CG1 4.33Å; I385-I387 HydrophobicContact CG2-CG1 4.29Å; I385-I387 PolarHBondContact O-N 3.14Å; I385-I493 HydrophobicContact CD1-CG2 4.15Å; I385-I493 HydrophobicContact CG1-CG2 4.07Å; I385-I493 HydrophobicContact CG2-CG2 4.46Å; I385-L495 HydrophobicContact CD1-CD2 3.52Å; I385-L495 HydrophobicContact CG1-CD2 4.15Å
386K65.7Low65Low147 Ų14778.3 Ų78.364%0.63938%0.375SS*.EExtended strand (participates in β ladder)trans-78.6116.7172.3-69.1-174.3-177.6177.80110.3H360 I361H360-K386 WeakPolarHBondContact CA-O 2.98Å; H360-K386 WeakPolarHBondContact ND1-CB 3.47Å; I361-K386 PolarHBondContact N-O 2.99Å; I361-K386 VanDerWaalsContact N-O 3.1Å
387I67.7Low62.1Low22 Ų2285.9 Ų85.911%0.11342%0.416CS..EExtended strand (participates in β ladder)trans-114.6137.7-176.5-58.8167.8000110.6I361 I363 K377 L380 Q381 I385 I389I361-I387 CarbonylContact O-C 3.54Å; I361-I387 WeakPolarHBondContact O-CA 2.93Å; I363-I387 HydrophobicContact CD1-CG2 3.87Å; I363-I387 HydrophobicContact CG1-CG2 3.77Å; K377-I387 HydrophobicContact CB-CD1 4.47Å; K377-I387 HydrophobicContact CG-CB 4.25Å; K377-I387 HydrophobicContact CG-CD1 4.1Å; K377-I387 HydrophobicContact CG-CG2 4Å; K377-I387 WeakPolarHBondContact O-CD1 3.32Å; L380-I387 HydrophobicContact CB-CD1 3.17Å; L380-I387 HydrophobicContact CB-CG1 4.21Å; L380-I387 HydrophobicContact CD1-CD1 3.85Å; L380-I387 HydrophobicContact CG-CD1 4.14Å; Q381-I387 HydrophobicContact CG-CD1 3.97Å; I385-I387 HydrophobicContact CG2-CG1 4.29Å; I385-I387 PolarHBondContact O-N 3.14Å; I387-I389 HydrophobicContact CG2-CD1 4.39Å; I387-I389 HydrophobicContact CG2-CG1 4.3Å
388W66.6Low59.2Low72 Ų7290 Ų9027%0.27344%0.444SS..EExtended strand (participates in β ladder)trans-105.5121.7170.2-152.273.1000109.8I361 M362 I363 V403 S407I361-W388 PolarHBondContact O-N 3.43Å; M362-W388 WeakPolarHBondContact CA-O 3.06Å; M362-W388 HydrophobicContact CG-CE3 4.32Å; M362-W388 HydrophobicContact SD-CE3 4.48Å; I363-W388 PolarHBondContact N-O 2.91Å; W388-V403 HydrophobicContact CH2-CG1 3.73Å; W388-V403 HydrophobicContact CZ2-CG1 4.01Å; W388-S407 VanDerWaalsContact CE3-CB 3.44Å; W388-S407 WeakPolarHBondContact CH2-OG 3.49Å; W388-S407 VanDerWaalsContact CZ2-OG 3.23Å; W388-S407 WeakPolarHBondContact CZ2-OG 3.39Å; W388-S407 WeakPolarHBondContact CZ3-OG 3.48Å
389I64.2Low57.2Low14 Ų1491.3 Ų91.37%0.07245%0.448CS..EExtended strand (participates in β ladder)trans-126.5137.4170-87168.2000106.6I363 Y365 A373 K377 I387 K391I363-I389 HydrophobicContact CB-CD1 4.04Å; I363-I389 HydrophobicContact CB-CG1 3.63Å; I363-I389 HydrophobicContact CD1-CD1 3.69Å; I363-I389 HydrophobicContact CD1-CG1 4.15Å; I363-I389 HydrophobicContact CG1-CD1 4.05Å; I363-I389 HydrophobicContact CG1-CG1 3.93Å; I363-I389 HydrophobicContact CG2-CG1 4.49Å; Y365-I389 HydrophobicContact CE1-CG2 3.72Å; A373-I389 HydrophobicContact CB-CD1 4.5Å; K377-I389 HydrophobicContact CB-CD1 3.5Å; K377-I389 VanDerWaalsContact CB-CD1 3.5Å; K377-I389 HydrophobicContact CD-CB 4.46Å; K377-I389 HydrophobicContact CD-CD1 3.67Å; K377-I389 HydrophobicContact CG-CD1 3.64Å; I387-I389 HydrophobicContact CG2-CD1 4.39Å; I387-I389 HydrophobicContact CG2-CG1 4.3Å; I389-K391 VanDerWaalsContact C-N 3.31Å; I389-K391 HydrophobicContact CG2-CB 4.01Å; I389-K391 PolarHBondContact O-N 3.05Å
390D62Low55.1Low32 Ų3295 Ų9517%0.17147%0.465CS..SBendtrans-71.187.8171.2-1631.7000109.4Y365Y365-D390 PolarHBondContact OH-O 3.47Å
391K42.9Very low53.2Low113 Ų11398.8 Ų98.849%0.49149%0.485SS..  trans-130.2-7.1174.4-143.4-177.1175.7-171.90113.2L370 I389L370-K391 HydrophobicContact CD1-CD 4.44Å; I389-K391 VanDerWaalsContact C-N 3.31Å; I389-K391 HydrophobicContact CG2-CB 4.01Å; I389-K391 PolarHBondContact O-N 3.05Å
392E41.7Very low51.8Low157 Ų15798.4 Ų98.473%0.73449%0.486SS*.SBendtrans-128.23.3-162.3-74.3177.1-171.800115.7
393H35.7Very low50.4Low135 Ų13594.6 Ų94.663%0.62547%0.472SS*.  trans-127.214.8-179.5-67.5-23.8000116.2V395H393-V395 PolarHBondContact O-N 2.97Å
394M36.2Very low49.6Very low116 Ų11694 Ų9457%0.57147%0.469SS*.  trans-8240.6178.3-59.7-161108.300114.3
395V27.7Very low49.1Very low114 Ų11489 Ų8969%0.69145%0.446SS*.SBendtrans-104.8104.4169.2-175.10000108.4H393H393-V395 PolarHBondContact O-N 2.97Å
396Q27.7Very low48.9Very low164 Ų16490.9 Ų90.977%0.76646%0.459SS*.SBendtrans64113.9155.1-61.4170.53.800116.8V398Q396-V398 PolarHBondContact O-N 2.66Å
397D30.9Very low48.8Very low158 Ų15884.6 Ų84.685%0.84543%0.434SS*.SBendtrans37.780.4146.3-55.3-33.6000116.2
398V30.2Very low48.5Very low126 Ų12683.6 Ų83.676%0.76443%0.429SS*.SBendtrans169.3120.2148.3156.30000111Q396Q396-V398 PolarHBondContact O-N 2.66Å
399K47.7Very low48.5Very low136 Ų13685 Ų8559%0.59144%0.438SS*.  trans56.858.7157.6-70.6165.5156.5-123.30119.7L401 D402K399-L401 PolarHBondContact O-N 3.1Å; K399-D402 HydrophobicContact CB-CB 4.21Å; K399-D402 WeakPolarHBondContact CD-OD2 3.21Å; K399-D402 WeakPolarHBondContact CE-OD2 3.32Å; K399-D402 IonicContact NZ-OD2 3.26Å; K399-D402 PolarHBondContact NZ-OD2 2.69Å; K399-D402 PolarHBondContact O-N 3.28Å
400I45.4Very low48.7Very low97 Ų9789.5 Ų89.550%0.49746%0.463SS..Hα-helixtrans-51.1-37.5167.3-62.2169.7000112.3M404I400-M404 HydrophobicContact CG2-SD 4.22Å; I400-M404 PolarHBondContact O-N 3.33Å; I400-M404 VanDerWaalsContact O-N 3.12Å
401L48.7Very low49.3Very low80 Ų8088.2 Ų88.242%0.41946%0.456SS..Hα-helixtrans-68.7-40-175.5-62.7172000113.6K399 V403 M404 A405 K429K399-L401 PolarHBondContact O-N 3.1Å; L401-V403 VanDerWaalsContact C-N 3.35Å; L401-M404 PolarHBondContact O-N 2.65Å; L401-A405 WeakPolarHBondContact O-CB 3.03Å; L401-A405 PolarHBondContact O-N 3.34Å; L401-K429 HydrophobicContact CD2-CD 3.25Å; L401-K429 HydrophobicContact CD2-CG 4.48Å
402D53.3Low50.9Low83 Ų8383.7 Ų83.744%0.44444%0.439SS..Hα-helixtrans-70.1-36.6-177.6-69-16.5000110.8K399 S406K399-D402 HydrophobicContact CB-CB 4.21Å; K399-D402 WeakPolarHBondContact CD-OD2 3.21Å; K399-D402 WeakPolarHBondContact CE-OD2 3.32Å; K399-D402 IonicContact NZ-OD2 3.26Å; K399-D402 PolarHBondContact NZ-OD2 2.69Å; K399-D402 PolarHBondContact O-N 3.28Å; D402-S406 VanDerWaalsContact O-CB 3.28Å; D402-S406 WeakPolarHBondContact O-CB 3.43Å; D402-S406 PolarHBondContact O-N 3.44Å; D402-S406 PolarHBondContact O-OG 3.37Å
403V53.4Low53Low57 Ų5776.3 Ų76.335%0.34541%0.405SS..Hα-helixtrans-70-45177.2-173.90000110.6W388 L401 S406 S407W388-V403 HydrophobicContact CH2-CG1 3.73Å; W388-V403 HydrophobicContact CZ2-CG1 4.01Å; L401-V403 VanDerWaalsContact C-N 3.35Å; V403-S406 WeakPolarHBondContact CA-OG 3.46Å; V403-S406 PolarHBondContact O-OG 3.37Å; V403-S407 WeakPolarHBondContact O-CB 3.48Å; V403-S407 PolarHBondContact O-N 3.02Å; V403-S407 PolarHBondContact O-OG 2.83Å; V403-S407 VanDerWaalsContact O-OG 3.05Å
404M57.3Low55.5Low16 Ų1669.9 Ų69.98%0.07938%0.375CS..Hα-helixtrans-62.1-44.6174.2-79.2-174.9149.800112.3I400 L401 S407 V408I400-M404 HydrophobicContact CG2-SD 4.22Å; I400-M404 PolarHBondContact O-N 3.33Å; I400-M404 VanDerWaalsContact O-N 3.12Å; L401-M404 PolarHBondContact O-N 2.65Å; M404-S407 PolarHBondContact O-N 2.84Å; M404-V408 WeakPolarHBondContact O-CG2 3.36Å; M404-V408 PolarHBondContact O-N 3.36Å
405A59.3Low58.1Low23 Ų2364.3 Ų64.319%0.1935%0.348CS..Hα-helixtrans-64.2-46.6179.900000111.8L401 S407 V408 Q409 Y433L401-A405 WeakPolarHBondContact O-CB 3.03Å; L401-A405 PolarHBondContact O-N 3.34Å; A405-S407 VanDerWaalsContact C-N 3.33Å; A405-S407 PolarHBondContact O-N 3.31Å; A405-V408 PolarHBondContact O-N 2.89Å; A405-Q409 WeakPolarHBondContact O-CG 3.34Å; A405-Q409 PolarHBondContact O-N 2.66Å; A405-Y433 HydrophobicContact CB-CD1 4.17Å; A405-Y433 HydrophobicContact CB-CE1 3.72Å; A405-Y433 WeakPolarHBondContact O-CE1 3.21Å
406S62.3Low61.2Low47 Ų4758.9 Ų58.933%0.32932%0.315SS..Hα-helixtrans-63.6-37.5176.956.90000112.3D402 V403 Q409 N410D402-S406 VanDerWaalsContact O-CB 3.28Å; D402-S406 WeakPolarHBondContact O-CB 3.43Å; D402-S406 PolarHBondContact O-N 3.44Å; D402-S406 PolarHBondContact O-OG 3.37Å; V403-S406 WeakPolarHBondContact CA-OG 3.46Å; V403-S406 PolarHBondContact O-OG 3.37Å; S406-Q409 PolarHBondContact O-N 2.63Å; S406-N410 PolarHBondContact O-N 3.32Å; S406-N410 PolarHBondContact O-ND2 2.79Å
407S63.5Low64.3Low15 Ų1551.1 Ų51.111%0.10528%0.279CS..Hα-helixtrans-63.8-48.7174.3-71.50000112W388 V403 M404 A405 Q409 N410 V411W388-S407 VanDerWaalsContact CE3-CB 3.44Å; W388-S407 WeakPolarHBondContact CH2-OG 3.49Å; W388-S407 VanDerWaalsContact CZ2-OG 3.23Å; W388-S407 WeakPolarHBondContact CZ2-OG 3.39Å; W388-S407 WeakPolarHBondContact CZ3-OG 3.48Å; V403-S407 WeakPolarHBondContact O-CB 3.48Å; V403-S407 PolarHBondContact O-N 3.02Å; V403-S407 PolarHBondContact O-OG 2.83Å; V403-S407 VanDerWaalsContact O-OG 3.05Å; M404-S407 PolarHBondContact O-N 2.84Å; A405-S407 VanDerWaalsContact C-N 3.33Å; A405-S407 PolarHBondContact O-N 3.31Å; S407-Q409 VanDerWaalsContact C-N 3.28Å; S407-Q409 PolarHBondContact O-N 2.66Å; S407-N410 PolarHBondContact O-N 3.43Å; S407-V411 VanDerWaalsContact O-CG1 3.28Å; S407-V411 WeakPolarHBondContact O-CG1 3.26Å; S407-V411 WeakPolarHBondContact O-CG2 3.44Å; S407-V411 PolarHBondContact O-N 2.8Å
408V61.7Low67.2Low0 Ų043.6 Ų43.60%024%0.239CC..Hα-helixtrans-60.8-38.8175.1178.30000110.4M362 M404 A405 N410 V411 V414 A430 Y433 L437 K439M362-V408 HydrophobicContact CE-CG2 4.16Å; M362-V408 HydrophobicContact SD-CG2 3.57Å; M362-V408 VanDerWaalsContact SD-CG2 3.57Å; M404-V408 WeakPolarHBondContact O-CG2 3.36Å; M404-V408 PolarHBondContact O-N 3.36Å; A405-V408 PolarHBondContact O-N 2.89Å; V408-N410 VanDerWaalsContact C-N 3.28Å; V408-N410 PolarHBondContact O-N 3.02Å; V408-V411 WeakPolarHBondContact O-CG2 3.49Å; V408-V414 HydrophobicContact CG1-CG2 4.4Å; V408-A430 HydrophobicContact CG2-CB 4.39Å; V408-Y433 HydrophobicContact CB-CD1 3.74Å; V408-Y433 HydrophobicContact CB-CE1 4.28Å; V408-Y433 HydrophobicContact CG1-CD1 3.8Å; V408-Y433 HydrophobicContact CG1-CE1 4.46Å; V408-Y433 HydrophobicContact CG2-CD1 4.31Å; V408-L437 HydrophobicContact CG1-CD1 3.99Å; V408-K439 HydrophobicContact CG1-CD 4.22Å; V408-K439 WeakPolarHBondContact O-CD 3.49Å; V408-K439 WeakPolarHBondContact O-CE 3.39Å; V408-K439 PolarHBondContact O-NZ 3.11Å
409Q67.9Low70.2Confident101 Ų10137.6 Ų37.647%0.47220%0.202SC..Hα-helixtrans-61.2-30.4177-80.3178-3.200114.3A405 S406 S407 Y433 L437 K439A405-Q409 WeakPolarHBondContact O-CG 3.34Å; A405-Q409 PolarHBondContact O-N 2.66Å; S406-Q409 PolarHBondContact O-N 2.63Å; S407-Q409 VanDerWaalsContact C-N 3.28Å; S407-Q409 PolarHBondContact O-N 2.66Å; Q409-Y433 HydrophobicContact CG-CE1 4.01Å; Q409-Y433 PolarHBondContact NE2-OH 2.87Å; Q409-L437 HydrophobicContact CB-CD1 4.4Å; Q409-L437 HydrophobicContact CG-CD1 3.65Å; Q409-K439 PolarHBondContact O-NZ 2.8Å
410N67.8Low72.2Confident110 Ų11035.9 Ų35.959%0.58819%0.194SC*.Hα-helixtrans-99-14.6-173.4-69.4-42.3000114.8S406 S407 V408S406-N410 PolarHBondContact O-N 3.32Å; S406-N410 PolarHBondContact O-ND2 2.79Å; S407-N410 PolarHBondContact O-N 3.43Å; V408-N410 VanDerWaalsContact C-N 3.28Å; V408-N410 PolarHBondContact O-N 3.02Å
411V74.1Confident74.2Confident5 Ų532.9 Ų32.93%0.0318%0.182CC..  trans-84.2150.2-178.5-63.80000114.2H360 M362 S407 V408 V414 K439H360-V411 HydrophobicContact CB-CB 4.45Å; H360-V411 HydrophobicContact CB-CG1 3.89Å; H360-V411 CarbonylContact O-C 3.26Å; H360-V411 WeakPolarHBondContact O-CA 3.31Å; H360-V411 VanDerWaalsContact O-CB 3.31Å; H360-V411 WeakPolarHBondContact O-CB 3.47Å; M362-V411 HydrophobicContact CB-CB 4.24Å; M362-V411 HydrophobicContact CB-CG1 3.74Å; M362-V411 HydrophobicContact CB-CG2 3.94Å; S407-V411 VanDerWaalsContact O-CG1 3.28Å; S407-V411 WeakPolarHBondContact O-CG1 3.26Å; S407-V411 WeakPolarHBondContact O-CG2 3.44Å; S407-V411 PolarHBondContact O-N 2.8Å; V408-V411 WeakPolarHBondContact O-CG2 3.49Å; V411-V414 HydrophobicContact CG2-CG2 3.69Å; V411-K439 HydrophobicContact CG2-CD 4.49Å; V411-K439 PolarHBondContact O-NZ 3.09Å
412A76.4Confident76.2Confident17 Ų1729 Ų2914%0.1416%0.162CC..SBendtrans-78.4-36.2174.500000112.3L357 H360L357-A412 HydrophobicContact CD2-CB 3.88Å; H360-A412 PolarHBondContact O-N 3.45Å
413I85.2Confident77.6Confident2 Ų225.6 Ų25.61%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-139.4144.2-175-61176000109I361 M362 L415 P440 I442 I485 I488 I493I361-I413 WeakPolarHBondContact CA-O 3.39Å; I361-I413 HydrophobicContact CG1-CB 4.35Å; M362-I413 PolarHBondContact N-O 3.49Å; I413-L415 HydrophobicContact CG2-CD2 4.09Å; I413-P440 HydrophobicContact CG1-CG 4.38Å; I413-I442 HydrophobicContact CG2-CD1 3.7Å; I413-I442 HydrophobicContact CG2-CG1 3.88Å; I413-I485 HydrophobicContact CD1-CB 4.46Å; I413-I485 HydrophobicContact CD1-CG1 4.5Å; I413-I485 HydrophobicContact CD1-CG2 4.08Å; I413-I488 HydrophobicContact CD1-CB 4.19Å; I413-I488 HydrophobicContact CD1-CG2 3.81Å; I413-I488 HydrophobicContact CG1-CG2 3.96Å; I413-I493 HydrophobicContact CD1-CD1 3.98Å
414V88.1Confident79Confident0 Ų027.8 Ų27.80%015%0.153CC..EExtended strand (participates in β ladder)trans-116.2118.1172.2-174.80000109.4M362 V408 V411 I416 T434 P440 P441 I442M362-V414 HydrophobicContact CB-CG2 4.46Å; M362-V414 CarbonylContact O-C 3.58Å; M362-V414 WeakPolarHBondContact O-CA 3.43Å; V408-V414 HydrophobicContact CG1-CG2 4.4Å; V411-V414 HydrophobicContact CG2-CG2 3.69Å; V414-I416 HydrophobicContact CG1-CG1 4.17Å; V414-T434 HydrophobicContact CB-CG2 3.83Å; V414-T434 HydrophobicContact CG1-CG2 4.41Å; V414-T434 HydrophobicContact CG2-CG2 3.8Å; V414-T434 WeakPolarHBondContact CG2-OG1 3.31Å; V414-P440 PolarHBondContact N-O 3.4Å; V414-P441 CarbonylContact O-C 3.59Å; V414-P441 WeakPolarHBondContact O-CA 3.45Å; V414-I442 PolarHBondContact O-N 2.9Å
415L92.1Very high80Confident0 Ų028.2 Ų28.20%016%0.158CC..EExtended strand (participates in β ladder)trans-84.2126169.9-51-173.9000108.5I361 M362 I363 S364 I376 L380 I413 L417 I442 L444 L481I361-L415 HydrophobicContact CG2-CD1 3.91Å; I361-L415 HydrophobicContact CG2-CD2 4.16Å; I361-L415 HydrophobicContact CG2-CG 3.6Å; M362-L415 PolarHBondContact O-N 3.41Å; I363-L415 HydrophobicContact CD1-CD1 4Å; I363-L415 HydrophobicContact CG1-CB 4.33Å; I363-L415 HydrophobicContact CG1-CD1 4Å; I363-L415 HydrophobicContact CG1-CG 4.42Å; I363-L415 HydrophobicContact CG2-CB 4.37Å; S364-L415 PolarHBondContact N-O 3.36Å; I376-L415 HydrophobicContact CG2-CD1 4.26Å; L380-L415 HydrophobicContact CD1-CD1 3.8Å; I413-L415 HydrophobicContact CG2-CD2 4.09Å; L415-L417 HydrophobicContact CB-CD1 4.46Å; L415-I442 WeakPolarHBondContact CA-O 3.13Å; L415-I442 HydrophobicContact CD2-CB 3.67Å; L415-I442 HydrophobicContact CD2-CD1 3.78Å; L415-I442 HydrophobicContact CD2-CG1 4.11Å; L415-I442 HydrophobicContact CD2-CG2 4.25Å; L415-L444 HydrophobicContact CB-CD1 4.11Å; L415-L444 HydrophobicContact CD1-CD1 4.22Å; L415-L481 HydrophobicContact CD1-CD2 4.44Å; L415-L481 HydrophobicContact CD2-CD1 4.07Å
416I91.7Very high80.3Confident0 Ų033.3 Ų33.30%018%0.178CC..EExtended strand (participates in β ladder)trans-111.1106.8178.7-65.2171.5000108V414 F418 Y422 A431 P441 I442 F443 L444 M459V414-I416 HydrophobicContact CG1-CG1 4.17Å; I416-F418 HydrophobicContact CG2-CB 4.43Å; I416-F418 PolarHBondContact O-N 2.66Å; I416-Y422 HydrophobicContact CG2-CD1 4.36Å; I416-Y422 HydrophobicContact CG2-CE1 3.57Å; I416-A431 HydrophobicContact CD1-CB 3.94Å; I416-P441 HydrophobicContact CD1-CB 3.93Å; I416-I442 PolarHBondContact N-O 3.28Å; I416-F443 HydrophobicContact CB-CD1 3.93Å; I416-F443 HydrophobicContact CB-CE1 4.32Å; I416-F443 HydrophobicContact CD1-CD1 4.13Å; I416-F443 HydrophobicContact CD1-CE1 3.63Å; I416-F443 HydrophobicContact CD1-CZ 4.45Å; I416-F443 HydrophobicContact CG2-CD1 4.1Å; I416-F443 HydrophobicContact CG2-CE1 4.42Å; I416-L444 PolarHBondContact O-N 3.28Å; I416-M459 HydrophobicContact CD1-SD 4.17Å
417L93.8Very high80.6Confident0 Ų032.4 Ų32.40%017%0.169CC..EExtended strand (participates in β ladder)trans-82.5101.5174-85.562.1000108.2I363 S364 I372 A373 I376 L415 Y422 L444 V446I363-L417 HydrophobicContact CG2-CD1 3.44Å; I363-L417 VanDerWaalsContact CG2-CD1 3.44Å; I363-L417 HydrophobicContact CG2-CD2 4.29Å; I363-L417 HydrophobicContact CG2-CG 4.47Å; S364-L417 PolarHBondContact O-N 3.14Å; I372-L417 HydrophobicContact CG2-CD2 3.98Å; A373-L417 HydrophobicContact CB-CD2 3.72Å; I376-L417 HydrophobicContact CD1-CD2 4.47Å; L415-L417 HydrophobicContact CB-CD1 4.46Å; L417-Y422 WeakPolarHBondContact O-CB 3.4Å; L417-Y422 WeakPolarHBondContact O-CD2 3.44Å; L417-Y422 VanDerWaalsContact O-CG 3.28Å; L417-L444 WeakPolarHBondContact CA-O 3.36Å; L417-L444 HydrophobicContact CD1-CB 4.12Å; L417-L444 HydrophobicContact CD1-CD1 3.73Å; L417-L444 HydrophobicContact CD1-CG 4.32Å; L417-L444 HydrophobicContact CG-CB 4.31Å; L417-V446 HydrophobicContact CB-CG1 3.93Å; L417-V446 HydrophobicContact CD2-CG1 4.01Å; L417-V446 HydrophobicContact CG-CG1 3.68Å
418F92.1Very high80.8Confident1 Ų132.5 Ų32.50%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-99.9131.4-173.173.7-95.2000112.2I416 Y422 F443 L444 R445 V446 F450 P452 L456 I460 Y465I416-F418 HydrophobicContact CG2-CB 4.43Å; I416-F418 PolarHBondContact O-N 2.66Å; F418-Y422 HydrophobicContact CB-CD1 4.48Å; F418-F443 HydrophobicContact CD1-CB 3.97Å; F418-F443 HydrophobicContact CE1-CB 3.82Å; F418-L444 WeakPolarHBondContact CD1-O 3.47Å; F418-L444 PolarHBondContact N-O 3.15Å; F418-R445 HydrophobicContact CE1-CB 3.86Å; F418-R445 HydrophobicContact CE2-CB 3.78Å; F418-R445 HydrophobicContact CE2-CG 3.8Å; F418-R445 HydrophobicContact CZ-CB 3.37Å; F418-R445 HydrophobicContact CZ-CG 3.92Å; F418-V446 WeakPolarHBondContact O-CG2 2.99Å; F418-V446 PolarHBondContact O-N 2.78Å; F418-F450 AromaticContact CD2-CD1 3.81Å; F418-F450 HydrophobicContact CD2-CD1 3.81Å; F418-F450 AromaticContact CD2-CE1 3.9Å; F418-F450 HydrophobicContact CD2-CE1 3.9Å; F418-F450 HydrophobicContact CE2-CD1 4.18Å; F418-P452 HydrophobicContact CD2-CG 4.3Å; F418-P452 HydrophobicContact CE2-CG 4.09Å; F418-L456 HydrophobicContact CB-CD1 4.31Å; F418-L456 HydrophobicContact CB-CD2 4.03Å; F418-I460 HydrophobicContact CD1-CD1 4.01Å; F418-I460 HydrophobicContact CD2-CD1 4.12Å; F418-I460 HydrophobicContact CE1-CD1 4.16Å; F418-I460 HydrophobicContact CE2-CD1 4.29Å; F418-I460 HydrophobicContact CG-CD1 3.97Å; F418-I460 HydrophobicContact CZ-CD1 4.28Å; F418-Y465 HydrophobicContact CE1-CG 4.21Å; F418-Y465 HydrophobicContact CZ-CD1 4.41Å; F418-Y465 HydrophobicContact CZ-CD2 4.1Å; F418-Y465 AromaticContact CZ-CG 3.94Å; F418-Y465 HydrophobicContact CZ-CG 3.94Å
419S92Very high81.1Confident0 Ų035.6 Ų35.60%018%0.183CC..  trans-149174.817967.80000108.5D369 S421 Y422 Q423 F450D369-S419 VanDerWaalsContact OD2-CB 3.22Å; D369-S419 WeakPolarHBondContact OD2-CB 3.16Å; D369-S419 PolarHBondContact OD2-OG 2.77Å; S419-S421 VanDerWaalsContact C-N 3.33Å; S419-S421 PolarHBondContact OG-N 2.88Å; S419-Y422 PolarHBondContact O-N 3Å; S419-Y422 PolarHBondContact OG-N 2.98Å; S419-Q423 PolarHBondContact O-N 2.72Å; S419-F450 VanDerWaalsContact C-CZ 3.5Å; S419-F450 WeakPolarHBondContact O-CE1 3.32Å
420K89.7Confident81.1Confident99 Ų9930.9 Ų30.943%0.4316%0.161SC..Hα-helixtrans-61.3-44.8171.7-174.753.1175.81510111.1Y422 Q423 D424 F450K420-Y422 VanDerWaalsContact C-N 3.3Å; K420-Y422 PolarHBondContact O-N 2.91Å; K420-Q423 WeakPolarHBondContact O-CB 3.33Å; K420-Q423 PolarHBondContact O-N 3.38Å; K420-Q423 VanDerWaalsContact O-N 3.08Å; K420-D424 WeakPolarHBondContact CD-OD2 3.43Å; K420-D424 WeakPolarHBondContact CE-OD2 3.44Å; K420-D424 VanDerWaalsContact NZ-CG 3.33Å; K420-D424 IonicContact NZ-OD1 3.53Å; K420-D424 PolarHBondContact NZ-OD1 3.42Å; K420-D424 IonicContact NZ-OD2 2.77Å; K420-D424 PolarHBondContact NZ-OD2 2.92Å; K420-D424 VanDerWaalsContact O-CG 3.28Å; K420-D424 PolarHBondContact O-N 2.88Å; K420-D424 VanDerWaalsContact O-N 3.09Å; K420-F450 HydrophobicContact CB-CD2 4.19Å; K420-F450 HydrophobicContact CB-CE2 3.76Å; K420-F450 HydrophobicContact CB-CZ 4.24Å; K420-F450 HydrophobicContact CD-CE2 4.06Å; K420-F450 HydrophobicContact CG-CE2 4.45Å
421S88.4Confident81.3Confident34 Ų3425.6 Ų25.624%0.23813%0.133CC..Hα-helixtrans-60-38.5175.7-53.20000112.5N366 D368 S419 D424 S425N366-S421 VanDerWaalsContact ND2-C 3.32Å; N366-S421 PolarHBondContact ND2-O 2.68Å; D368-S421 WeakPolarHBondContact OD2-CB 3.43Å; D368-S421 PolarHBondContact OD2-OG 3.29Å; S419-S421 VanDerWaalsContact C-N 3.33Å; S419-S421 PolarHBondContact OG-N 2.88Å; S421-D424 PolarHBondContact O-N 2.79Å; S421-S425 VanDerWaalsContact O-CB 3.31Å; S421-S425 WeakPolarHBondContact O-CB 3.49Å; S421-S425 PolarHBondContact O-N 3.49Å
422Y89.5Confident81.2Confident0 Ų030.2 Ų30.20%015%0.154CC..Hα-helixtrans-65.6-42.8173.2-174.1-94.1000112.2S364 N366 I416 L417 F418 S419 K420 D424 S425 N427 T428 A431 W455 L456S364-Y422 WeakPolarHBondContact OG-CE2 2.98Å; S364-Y422 PolarHBondContact OG-OH 2.87Å; N366-Y422 HydrophobicContact CB-CD2 4.45Å; I416-Y422 HydrophobicContact CG2-CD1 4.36Å; I416-Y422 HydrophobicContact CG2-CE1 3.57Å; L417-Y422 WeakPolarHBondContact O-CB 3.4Å; L417-Y422 WeakPolarHBondContact O-CD2 3.44Å; L417-Y422 VanDerWaalsContact O-CG 3.28Å; F418-Y422 HydrophobicContact CB-CD1 4.48Å; S419-Y422 PolarHBondContact O-N 3Å; S419-Y422 PolarHBondContact OG-N 2.98Å; K420-Y422 VanDerWaalsContact C-N 3.3Å; K420-Y422 PolarHBondContact O-N 2.91Å; Y422-D424 PolarHBondContact O-N 3.39Å; Y422-S425 PolarHBondContact O-N 3.39Å; Y422-S425 PolarHBondContact O-OG 3.12Å; Y422-N427 HydrophobicContact CD2-CB 4.4Å; Y422-N427 HydrophobicContact CE2-CB 4.01Å; Y422-N427 PolarHBondContact OH-O 3Å; Y422-T428 WeakPolarHBondContact O-CG2 3.49Å; Y422-A431 HydrophobicContact CE1-CB 4.46Å; Y422-A431 WeakPolarHBondContact OH-CB 3.43Å; Y422-W455 HydrophobicContact CD1-CH2 4.39Å; Y422-W455 HydrophobicContact CE1-CH2 4.03Å; Y422-L456 HydrophobicContact CD1-CD1 4.4Å; Y422-L456 HydrophobicContact CD1-CD2 4.45Å; Y422-L456 HydrophobicContact CE1-CD1 4.34Å
423Q83.1Confident81Confident10 Ų1031.9 Ų31.95%0.04716%0.157CC..Hα-helixtrans-60.6-31.9-179.9-167.5175.7-34.200112.6S419 K420 F450 D453 W455 L456S419-Q423 PolarHBondContact O-N 2.72Å; K420-Q423 WeakPolarHBondContact O-CB 3.33Å; K420-Q423 PolarHBondContact O-N 3.38Å; K420-Q423 VanDerWaalsContact O-N 3.08Å; Q423-F450 HydrophobicContact CB-CZ 4.43Å; Q423-D453 PolarHBondContact NE2-O 3.17Å; Q423-D453 VanDerWaalsContact NE2-O 3.1Å; Q423-D453 PolarHBondContact NE2-OD1 3.3Å; Q423-W455 HydrophobicContact CB-CZ2 4.49Å; Q423-W455 HydrophobicContact CG-CZ2 4.08Å; Q423-W455 WeakPolarHBondContact O-CZ2 3.3Å; Q423-W455 PolarHBondContact O-NE1 2.89Å; Q423-L456 HydrophobicContact CB-CD2 3.66Å; Q423-L456 HydrophobicContact CG-CB 3.85Å; Q423-L456 HydrophobicContact CG-CD2 3.82Å
424D82.1Confident80.6Confident103 Ų10331.9 Ų31.955%0.55116%0.157SC*.THydrogen-bonded Turntrans-98.92.1-173.4-59.1-22.5000113.2K420 S421 Y422K420-D424 WeakPolarHBondContact CD-OD2 3.43Å; K420-D424 WeakPolarHBondContact CE-OD2 3.44Å; K420-D424 VanDerWaalsContact NZ-CG 3.33Å; K420-D424 IonicContact NZ-OD1 3.53Å; K420-D424 PolarHBondContact NZ-OD1 3.42Å; K420-D424 IonicContact NZ-OD2 2.77Å; K420-D424 PolarHBondContact NZ-OD2 2.92Å; K420-D424 VanDerWaalsContact O-CG 3.28Å; K420-D424 PolarHBondContact O-N 2.88Å; K420-D424 VanDerWaalsContact O-N 3.09Å; S421-D424 PolarHBondContact O-N 2.79Å; Y422-D424 PolarHBondContact O-N 3.39Å
425S78.4Confident79.9Confident26 Ų2637.9 Ų37.918%0.18218%0.18CC..SBendtrans-101.8176.8-175.975.70000115N366 S421 Y422 N427 T428N366-S425 WeakPolarHBondContact ND2-CB 3.37Å; N366-S425 PolarHBondContact ND2-OG 2.96Å; S421-S425 VanDerWaalsContact O-CB 3.31Å; S421-S425 WeakPolarHBondContact O-CB 3.49Å; S421-S425 PolarHBondContact O-N 3.49Å; Y422-S425 PolarHBondContact O-N 3.39Å; Y422-S425 PolarHBondContact O-OG 3.12Å; S425-N427 VanDerWaalsContact C-N 3.3Å; S425-N427 PolarHBondContact OG-N 3.38Å; S425-T428 WeakPolarHBondContact O-CG2 3.33Å; S425-T428 PolarHBondContact O-OG1 3.15Å
426E66.8Low79.1Confident130 Ų13043.6 Ų43.661%0.60721%0.205SC*.THydrogen-bonded Turntrans-77.2-14.2172.7-63.7-165.4174.300113.5T428 K429E426-T428 PolarHBondContact O-N 3.47Å; E426-K429 WeakPolarHBondContact O-CG 3.28Å; E426-K429 PolarHBondContact O-N 2.98Å; E426-K429 VanDerWaalsContact O-N 3.12Å
427N67.4Low78.3Confident27 Ų2746.6 Ų46.614%0.14422%0.22CC..THydrogen-bonded Turntrans-67.2-7.6-179.8-63.3-18.4000112.7S364 Y365 Y422 S425 K429 A430S364-N427 PolarHBondContact OG-O 2.93Å; Y365-N427 PolarHBondContact O-ND2 2.93Å; Y422-N427 HydrophobicContact CD2-CB 4.4Å; Y422-N427 HydrophobicContact CE2-CB 4.01Å; Y422-N427 PolarHBondContact OH-O 3Å; S425-N427 VanDerWaalsContact C-N 3.3Å; S425-N427 PolarHBondContact OG-N 3.38Å; N427-K429 PolarHBondContact O-N 3.08Å; N427-A430 PolarHBondContact O-N 2.94Å
428T68.6Low77.3Confident18 Ų1854.9 Ų54.911%0.1126%0.256CS..Hα-helixtrans-60.1-29.4171.356.70000112.5Y422 S425 E426 A430 A431 E432 W455Y422-T428 WeakPolarHBondContact O-CG2 3.49Å; S425-T428 WeakPolarHBondContact O-CG2 3.33Å; S425-T428 PolarHBondContact O-OG1 3.15Å; E426-T428 PolarHBondContact O-N 3.47Å; T428-A430 VanDerWaalsContact C-N 3.27Å; T428-A430 PolarHBondContact O-N 3.34Å; T428-A431 WeakPolarHBondContact O-CA 3.49Å; T428-A431 VanDerWaalsContact O-CB 3.31Å; T428-A431 WeakPolarHBondContact O-CB 3.15Å; T428-A431 PolarHBondContact O-N 3.34Å; T428-E432 WeakPolarHBondContact O-CG 3.45Å; T428-E432 PolarHBondContact O-N 3.25Å; T428-W455 HydrophobicContact CG2-CH2 3.37Å; T428-W455 HydrophobicContact CG2-CZ2 3.05Å; T428-W455 HydrophobicContact CG2-CZ3 4.48Å
429K67.7Low76.6Confident64 Ų6456.4 Ų56.428%0.27826%0.263SS..Hα-helixtrans-59.1-36175.8-64.5-178.4-175.9177.60112.4L401 E426 N427 Y433L401-K429 HydrophobicContact CD2-CD 3.25Å; L401-K429 HydrophobicContact CD2-CG 4.48Å; E426-K429 WeakPolarHBondContact O-CG 3.28Å; E426-K429 PolarHBondContact O-N 2.98Å; E426-K429 VanDerWaalsContact O-N 3.12Å; N427-K429 PolarHBondContact O-N 3.08Å; K429-Y433 WeakPolarHBondContact O-CB 3.28Å; K429-Y433 PolarHBondContact O-N 3.46Å
430A68.6Low76Confident2 Ų258.8 Ų58.82%0.01728%0.278CS..Hα-helixtrans-66.1-37.9174.900000112M362 V408 N427 T428 T434M362-A430 HydrophobicContact CE-CB 3.87Å; V408-A430 HydrophobicContact CG2-CB 4.39Å; N427-A430 PolarHBondContact O-N 2.94Å; T428-A430 VanDerWaalsContact C-N 3.27Å; T428-A430 PolarHBondContact O-N 3.34Å; A430-T434 WeakPolarHBondContact O-CB 3.28Å; A430-T434 PolarHBondContact O-N 3.46Å; A430-T434 PolarHBondContact O-OG1 3.02Å
431A72.5Confident76Confident0 Ų056.5 Ų56.50%027%0.274CS..Hα-helixtrans-68.5-44.9177.800000111.5I416 Y422 T428 Y433 T434 R435 W455 M459I416-A431 HydrophobicContact CD1-CB 3.94Å; Y422-A431 HydrophobicContact CE1-CB 4.46Å; Y422-A431 WeakPolarHBondContact OH-CB 3.43Å; T428-A431 WeakPolarHBondContact O-CA 3.49Å; T428-A431 VanDerWaalsContact O-CB 3.31Å; T428-A431 WeakPolarHBondContact O-CB 3.15Å; T428-A431 PolarHBondContact O-N 3.34Å; A431-Y433 VanDerWaalsContact C-N 3.34Å; A431-Y433 PolarHBondContact O-N 3.3Å; A431-T434 WeakPolarHBondContact O-CB 3.33Å; A431-T434 PolarHBondContact O-N 3.46Å; A431-R435 PolarHBondContact O-N 3.16Å; A431-W455 HydrophobicContact CB-CZ3 4.17Å; A431-M459 HydrophobicContact CB-CE 3.63Å; A431-M459 HydrophobicContact CB-SD 3.52Å; A431-M459 VanDerWaalsContact CB-SD 3.52Å; A431-M459 VanDerWaalsContact O-CE 3.32Å; A431-M459 WeakPolarHBondContact O-CE 3.5Å
432E70.3Confident76.1Confident101 Ų10155.2 Ų55.247%0.47226%0.264SS..Hα-helixtrans-61.2-44.2175.5-69.6-178.3161.500111.4T428 R435 K436 M459T428-E432 WeakPolarHBondContact O-CG 3.45Å; T428-E432 PolarHBondContact O-N 3.25Å; E432-R435 WeakPolarHBondContact O-CB 3.32Å; E432-R435 PolarHBondContact O-N 2.87Å; E432-K436 PolarHBondContact O-N 2.77Å; E432-M459 HydrophobicContact CG-CE 4.35Å
433Y72.8Confident76.3Confident53 Ų5355.4 Ų55.421%0.20827%0.265CS..Hα-helixtrans-70-34.5179.4-162.2-109.8000112.6A405 V408 Q409 K429 A431 R435 K436 L437A405-Y433 HydrophobicContact CB-CD1 4.17Å; A405-Y433 HydrophobicContact CB-CE1 3.72Å; A405-Y433 WeakPolarHBondContact O-CE1 3.21Å; V408-Y433 HydrophobicContact CB-CD1 3.74Å; V408-Y433 HydrophobicContact CB-CE1 4.28Å; V408-Y433 HydrophobicContact CG1-CD1 3.8Å; V408-Y433 HydrophobicContact CG1-CE1 4.46Å; V408-Y433 HydrophobicContact CG2-CD1 4.31Å; Q409-Y433 HydrophobicContact CG-CE1 4.01Å; Q409-Y433 PolarHBondContact NE2-OH 2.87Å; K429-Y433 WeakPolarHBondContact O-CB 3.28Å; K429-Y433 PolarHBondContact O-N 3.46Å; A431-Y433 VanDerWaalsContact C-N 3.34Å; A431-Y433 PolarHBondContact O-N 3.3Å; Y433-R435 VanDerWaalsContact C-N 3.33Å; Y433-R435 PolarHBondContact O-N 2.83Å; Y433-K436 HydrophobicContact CD2-CD 4.16Å; Y433-K436 HydrophobicContact CE2-CD 4.27Å; Y433-K436 WeakPolarHBondContact O-CB 3.42Å; Y433-K436 PolarHBondContact O-N 3.09Å; Y433-L437 HydrophobicContact CD1-CD1 3.78Å; Y433-L437 HydrophobicContact CD1-CG 4.31Å; Y433-L437 HydrophobicContact CE1-CD1 3.3Å; Y433-L437 HydrophobicContact CE1-CG 4Å; Y433-L437 WeakPolarHBondContact O-CG 3.49Å; Y433-L437 PolarHBondContact O-N 3.36Å
434T77.5Confident76.9Confident2 Ų255 Ų551%0.01226%0.263CS..Hα-helixtrans-57.3-47.1170-620000110.9V414 A430 A431 L437 K438 K439 P441V414-T434 HydrophobicContact CB-CG2 3.83Å; V414-T434 HydrophobicContact CG1-CG2 4.41Å; V414-T434 HydrophobicContact CG2-CG2 3.8Å; V414-T434 WeakPolarHBondContact CG2-OG1 3.31Å; A430-T434 WeakPolarHBondContact O-CB 3.28Å; A430-T434 PolarHBondContact O-N 3.46Å; A430-T434 PolarHBondContact O-OG1 3.02Å; A431-T434 WeakPolarHBondContact O-CB 3.33Å; A431-T434 PolarHBondContact O-N 3.46Å; T434-L437 PolarHBondContact O-N 3.32Å; T434-K438 PolarHBondContact O-N 3.29Å; T434-K439 HydrophobicContact CG2-CB 4Å; T434-K439 PolarHBondContact O-N 3.24Å; T434-K439 VanDerWaalsContact O-N 3.1Å; T434-P441 HydrophobicContact CG2-CB 4.3Å
435R73.5Confident77.5Confident125 Ų12551.2 Ų51.247%0.47224%0.241SC..Hα-helixtrans-62.2-45.7175.8-177.5-177.5172.8109.7-3.4111.4A431 E432 Y433 L437 K438 M459A431-R435 PolarHBondContact O-N 3.16Å; E432-R435 WeakPolarHBondContact O-CB 3.32Å; E432-R435 PolarHBondContact O-N 2.87Å; Y433-R435 VanDerWaalsContact C-N 3.33Å; Y433-R435 PolarHBondContact O-N 2.83Å; R435-L437 VanDerWaalsContact C-N 3.29Å; R435-L437 PolarHBondContact O-N 3.43Å; R435-K438 PolarHBondContact O-N 3.03Å; R435-M459 HydrophobicContact CB-CE 4.45Å
436K73.7Confident78.2Confident121 Ų12150.6 Ų50.653%0.52624%0.236SC..Hα-helixtrans-57-41.5177.5-174.2176.9-179.8174.90112.2E432 Y433 K438E432-K436 PolarHBondContact O-N 2.77Å; Y433-K436 HydrophobicContact CD2-CD 4.16Å; Y433-K436 HydrophobicContact CE2-CD 4.27Å; Y433-K436 WeakPolarHBondContact O-CB 3.42Å; Y433-K436 PolarHBondContact O-N 3.09Å; K436-K438 VanDerWaalsContact C-N 3.29Å; K436-K438 PolarHBondContact O-N 3.49Å
437L75.7Confident79.4Confident63 Ų6348.7 Ų48.733%0.3323%0.226SC..THydrogen-bonded Turntrans-83.63.1179.1-66.3-177.7000114.4V408 Q409 Y433 T434 R435 K439V408-L437 HydrophobicContact CG1-CD1 3.99Å; Q409-L437 HydrophobicContact CB-CD1 4.4Å; Q409-L437 HydrophobicContact CG-CD1 3.65Å; Y433-L437 HydrophobicContact CD1-CD1 3.78Å; Y433-L437 HydrophobicContact CD1-CG 4.31Å; Y433-L437 HydrophobicContact CE1-CD1 3.3Å; Y433-L437 HydrophobicContact CE1-CG 4Å; Y433-L437 WeakPolarHBondContact O-CG 3.49Å; Y433-L437 PolarHBondContact O-N 3.36Å; T434-L437 PolarHBondContact O-N 3.32Å; R435-L437 VanDerWaalsContact C-N 3.29Å; R435-L437 PolarHBondContact O-N 3.43Å; L437-K439 HydrophobicContact CB-CD 4.5Å; L437-K439 HydrophobicContact CB-CG 4.02Å; L437-K439 PolarHBondContact O-N 3.27Å; L437-K439 VanDerWaalsContact O-N 3.15Å
438K73.5Confident80.4Confident173 Ų17356.3 Ų56.375%0.75225%0.252SS*.THydrogen-bonded Turntrans52.531.9-176.1-58.2-176.8178.9-178.70113.2T434 R435 K436T434-K438 PolarHBondContact O-N 3.29Å; R435-K438 PolarHBondContact O-N 3.03Å; K436-K438 VanDerWaalsContact C-N 3.29Å; K436-K438 PolarHBondContact O-N 3.49Å
439K77.8Confident81Confident33 Ų3358.1 Ų58.114%0.14328%0.275CS..  trans-79.2139.5176-68.8-163.9174.5-147.10109.8V408 Q409 V411 T434 L437 P441V408-K439 HydrophobicContact CG1-CD 4.22Å; V408-K439 WeakPolarHBondContact O-CD 3.49Å; V408-K439 WeakPolarHBondContact O-CE 3.39Å; V408-K439 PolarHBondContact O-NZ 3.11Å; Q409-K439 PolarHBondContact O-NZ 2.8Å; V411-K439 HydrophobicContact CG2-CD 4.49Å; V411-K439 PolarHBondContact O-NZ 3.09Å; T434-K439 HydrophobicContact CG2-CB 4Å; T434-K439 PolarHBondContact O-N 3.24Å; T434-K439 VanDerWaalsContact O-N 3.1Å; L437-K439 HydrophobicContact CB-CD 4.5Å; L437-K439 HydrophobicContact CB-CG 4.02Å; L437-K439 PolarHBondContact O-N 3.27Å; L437-K439 VanDerWaalsContact O-N 3.15Å; K439-P441 WeakPolarHBondContact O-CD 3.46Å
440P79.4Confident82Confident50 Ų5056.5 Ų56.533%0.32527%0.268SS..  trans-68.9113.9-176.426.9-32.7000110.3I413 V414 I488I413-P440 HydrophobicContact CG1-CG 4.38Å; V414-P440 PolarHBondContact N-O 3.4Å; P440-I488 HydrophobicContact CB-CG2 3.57Å; P440-I488 HydrophobicContact CG-CG2 3.57Å
441P88Confident82.7Confident51 Ų5162.9 Ų62.933%0.33130%0.3SS..EExtended strand (participates in β ladder)trans-82.9149174.434.4-30.7000110.5V414 I416 T434 K439 F443V414-P441 CarbonylContact O-C 3.59Å; V414-P441 WeakPolarHBondContact O-CA 3.45Å; I416-P441 HydrophobicContact CD1-CB 3.93Å; T434-P441 HydrophobicContact CG2-CB 4.3Å; K439-P441 WeakPolarHBondContact O-CD 3.46Å; P441-F443 HydrophobicContact CB-CE1 4.25Å; P441-F443 HydrophobicContact CB-CE2 4.12Å; P441-F443 HydrophobicContact CB-CZ 3.86Å; P441-F443 HydrophobicContact CG-CE2 3.73Å; P441-F443 HydrophobicContact CG-CZ 3.67Å
442I91.7Very high83Confident8 Ų864 Ų644%0.04131%0.308CS..EExtended strand (participates in β ladder)trans-117.6117.8163.5-57176.6000107.7I413 V414 L415 I416 L444 I466 L481 T484 I485 I488I413-I442 HydrophobicContact CG2-CD1 3.7Å; I413-I442 HydrophobicContact CG2-CG1 3.88Å; V414-I442 PolarHBondContact O-N 2.9Å; L415-I442 WeakPolarHBondContact CA-O 3.13Å; L415-I442 HydrophobicContact CD2-CB 3.67Å; L415-I442 HydrophobicContact CD2-CD1 3.78Å; L415-I442 HydrophobicContact CD2-CG1 4.11Å; L415-I442 HydrophobicContact CD2-CG2 4.25Å; I416-I442 PolarHBondContact N-O 3.28Å; I442-L444 HydrophobicContact CG2-CD2 3.84Å; I442-I466 HydrophobicContact CG2-CD1 4.32Å; I442-L481 HydrophobicContact CD1-CD1 4.33Å; I442-L481 HydrophobicContact CG2-CD1 4.02Å; I442-T484 HydrophobicContact CD1-CG2 3.92Å; I442-T484 HydrophobicContact CG1-CG2 4.21Å; I442-T484 HydrophobicContact CG2-CG2 4.27Å; I442-I485 HydrophobicContact CD1-CG1 3.67Å; I442-I488 HydrophobicContact CD1-CD1 3.81Å; I442-I488 HydrophobicContact CG1-CD1 3.56Å
443F93.2Very high82.9Confident4 Ų463.8 Ų63.82%0.01831%0.31CS..EExtended strand (participates in β ladder)trans-89126.8-177.3-60.4-74.2000111.4I416 F418 P441 M459 I460 Y465 I466I416-F443 HydrophobicContact CB-CD1 3.93Å; I416-F443 HydrophobicContact CB-CE1 4.32Å; I416-F443 HydrophobicContact CD1-CD1 4.13Å; I416-F443 HydrophobicContact CD1-CE1 3.63Å; I416-F443 HydrophobicContact CD1-CZ 4.45Å; I416-F443 HydrophobicContact CG2-CD1 4.1Å; I416-F443 HydrophobicContact CG2-CE1 4.42Å; F418-F443 HydrophobicContact CD1-CB 3.97Å; F418-F443 HydrophobicContact CE1-CB 3.82Å; P441-F443 HydrophobicContact CB-CE1 4.25Å; P441-F443 HydrophobicContact CB-CE2 4.12Å; P441-F443 HydrophobicContact CB-CZ 3.86Å; P441-F443 HydrophobicContact CG-CE2 3.73Å; P441-F443 HydrophobicContact CG-CZ 3.67Å; F443-M459 HydrophobicContact CE1-CG 4.08Å; F443-M459 HydrophobicContact CE1-SD 4.2Å; F443-M459 HydrophobicContact CZ-CG 3.91Å; F443-I460 HydrophobicContact CB-CG1 4.31Å; F443-I460 HydrophobicContact CD1-CD1 4.08Å; F443-I460 HydrophobicContact CD1-CG1 3.44Å; F443-I460 VanDerWaalsContact CD1-CG1 3.44Å; F443-I460 HydrophobicContact CD2-CG1 4.03Å; F443-I460 HydrophobicContact CD2-CG2 4.42Å; F443-I460 HydrophobicContact CE1-CG1 3.59Å; F443-I460 HydrophobicContact CE2-CG1 4.17Å; F443-I460 HydrophobicContact CG-CD1 4.39Å; F443-I460 HydrophobicContact CG-CG1 3.67Å; F443-I460 HydrophobicContact CZ-CG1 3.96Å; F443-Y465 CarbonylContact O-C 3.57Å; F443-Y465 VanDerWaalsContact O-CA 3.24Å; F443-Y465 WeakPolarHBondContact O-CA 3.48Å; F443-Y465 VanDerWaalsContact O-CB 3.32Å; F443-Y465 WeakPolarHBondContact O-CB 2.97Å; F443-I466 PolarHBondContact O-N 3.28Å
444L95.2Very high82.6Confident0 Ų064.8 Ų64.80%032%0.324CS..EExtended strand (participates in β ladder)trans-119.9112.6-176.8-54.1-172.4000109.9I376 L415 I416 L417 F418 I442 V446 I466 F468 L481I376-L444 HydrophobicContact CD1-CD1 3.97Å; L415-L444 HydrophobicContact CB-CD1 4.11Å; L415-L444 HydrophobicContact CD1-CD1 4.22Å; I416-L444 PolarHBondContact O-N 3.28Å; L417-L444 WeakPolarHBondContact CA-O 3.36Å; L417-L444 HydrophobicContact CD1-CB 4.12Å; L417-L444 HydrophobicContact CD1-CD1 3.73Å; L417-L444 HydrophobicContact CD1-CG 4.32Å; L417-L444 HydrophobicContact CG-CB 4.31Å; F418-L444 WeakPolarHBondContact CD1-O 3.47Å; F418-L444 PolarHBondContact N-O 3.15Å; I442-L444 HydrophobicContact CG2-CD2 3.84Å; L444-V446 PolarHBondContact O-N 3.28Å; L444-I466 CarbonylContact C-O 3.4Å; L444-I466 WeakPolarHBondContact CA-O 3.23Å; L444-I466 HydrophobicContact CD2-CB 3.77Å; L444-I466 HydrophobicContact CD2-CD1 4.23Å; L444-I466 HydrophobicContact CD2-CG1 4.28Å; L444-F468 HydrophobicContact CB-CD2 4.22Å; L444-F468 HydrophobicContact CD1-CD2 4.36Å; L444-F468 HydrophobicContact CD1-CE2 4.31Å; L444-F468 HydrophobicContact CD2-CD2 4.08Å; L444-F468 HydrophobicContact CD2-CE2 3.95Å; L444-F468 HydrophobicContact CG-CD2 4.47Å; L444-L481 HydrophobicContact CD1-CD2 4.31Å; L444-L481 HydrophobicContact CD2-CD1 4.13Å
445R94.4Very high82.7Confident24 Ų2467.5 Ų67.59%0.09133%0.334CS..EExtended strand (participates in β ladder)trans-77.1122.7176.8-174.816865-171-1.8109.3F418 K447 F450 Y465 I466 D467 F468 S469F418-R445 HydrophobicContact CE1-CB 3.86Å; F418-R445 HydrophobicContact CE2-CB 3.78Å; F418-R445 HydrophobicContact CE2-CG 3.8Å; F418-R445 HydrophobicContact CZ-CB 3.37Å; F418-R445 HydrophobicContact CZ-CG 3.92Å; R445-K447 WeakPolarHBondContact CD-O 3.2Å; R445-K447 WeakPolarHBondContact CG-O 3.31Å; R445-F450 WeakPolarHBondContact CD-O 3.31Å; R445-Y465 HydrophobicContact CB-CD2 4.05Å; R445-Y465 HydrophobicContact CB-CE2 4.33Å; R445-Y465 PolarHBondContact NH1-OH 3.06Å; R445-I466 PolarHBondContact N-O 3Å; R445-D467 IonicContact CZ-OD1 3.4Å; R445-D467 IonicContact CZ-OD2 2.94Å; R445-D467 IonicContact NE-OD1 2.7Å; R445-D467 PolarHBondContact NE-OD1 3.45Å; R445-D467 IonicContact NE-OD2 3.32Å; R445-D467 IonicContact NH2-OD1 3.15Å; R445-D467 PolarHBondContact NH2-OD1 3.22Å; R445-D467 IonicContact NH2-OD2 2.99Å; R445-D467 PolarHBondContact NH2-OD2 3.38Å; R445-F468 CarbonylContact O-C 3.57Å; R445-F468 VanDerWaalsContact O-C 3.26Å; R445-F468 VanDerWaalsContact O-CA 3.28Å; R445-F468 WeakPolarHBondContact O-CA 3.38Å; R445-F468 PolarHBondContact O-N 3.34Å; R445-S469 PolarHBondContact O-N 2.87Å; R445-S469 VanDerWaalsContact O-N 3.11Å
446V94.6Very high82.7Confident13 Ų1361.5 Ų61.58%0.07931%0.312CS..  trans-111.2-10.3-179-610000114.3D369 I372 L417 F418 L444 F468D369-V446 HydrophobicContact CB-CG2 4.07Å; D369-V446 VanDerWaalsContact CG-CG2 3.46Å; D369-V446 WeakPolarHBondContact OD1-CG2 3.35Å; I372-V446 HydrophobicContact CG1-CG1 4.24Å; I372-V446 HydrophobicContact CG2-CB 4.08Å; I372-V446 HydrophobicContact CG2-CG1 3.83Å; L417-V446 HydrophobicContact CB-CG1 3.93Å; L417-V446 HydrophobicContact CD2-CG1 4.01Å; L417-V446 HydrophobicContact CG-CG1 3.68Å; F418-V446 WeakPolarHBondContact O-CG2 2.99Å; F418-V446 PolarHBondContact O-N 2.78Å; L444-V446 PolarHBondContact O-N 3.28Å; V446-F468 HydrophobicContact CG1-CB 4.49Å
447K91.8Very high82.7Confident90 Ų9056.3 Ų56.339%0.39129%0.292SS..SBendtrans-118.4134.2175-60.9-60.6-175.3-161.60112D369 R445 G449 F450 S469D369-K447 WeakPolarHBondContact OD1-CE 3.43Å; D369-K447 IonicContact OD1-NZ 2.75Å; D369-K447 PolarHBondContact OD1-NZ 3.15Å; D369-K447 VanDerWaalsContact OD1-NZ 3.15Å; R445-K447 WeakPolarHBondContact CD-O 3.2Å; R445-K447 WeakPolarHBondContact CG-O 3.31Å; K447-G449 PolarHBondContact O-N 2.99Å; K447-F450 HydrophobicContact CB-CB 4Å; K447-F450 WeakPolarHBondContact O-CB 3.5Å; K447-F450 PolarHBondContact O-N 2.92Å; K447-S469 VanDerWaalsContact C-CB 3.42Å
448R87.6Confident82.3Confident187 Ų18755.1 Ų55.171%0.70629%0.285SS*.THydrogen-bonded Turntrans-70.8131.2-171.2-172.7174.7177.4170.3-0.7110F450 S469R448-F450 PolarHBondContact O-N 2.99Å; R448-F450 VanDerWaalsContact O-N 3.15Å; R448-S469 WeakPolarHBondContact CA-OG 3.35Å; R448-S469 WeakPolarHBondContact CB-OG 3.46Å
449G82.5Confident82.3Confident56 Ų5648 Ų4858%0.57725%0.254SS*.THydrogen-bonded Turntrans70.32.9179.900000114.3K447 I451K447-G449 PolarHBondContact O-N 2.99Å; G449-I451 PolarHBondContact O-N 3.18Å
450F88.6Confident82.4Confident31 Ų3146.8 Ų46.814%0.13625%0.249CC..  trans-68.2125.9172.4-178.1-117.3000109.5F418 S419 K420 Q423 R445 K447 R448 P452 L456F418-F450 AromaticContact CD2-CD1 3.81Å; F418-F450 HydrophobicContact CD2-CD1 3.81Å; F418-F450 AromaticContact CD2-CE1 3.9Å; F418-F450 HydrophobicContact CD2-CE1 3.9Å; F418-F450 HydrophobicContact CE2-CD1 4.18Å; S419-F450 VanDerWaalsContact C-CZ 3.5Å; S419-F450 WeakPolarHBondContact O-CE1 3.32Å; K420-F450 HydrophobicContact CB-CD2 4.19Å; K420-F450 HydrophobicContact CB-CE2 3.76Å; K420-F450 HydrophobicContact CB-CZ 4.24Å; K420-F450 HydrophobicContact CD-CE2 4.06Å; K420-F450 HydrophobicContact CG-CE2 4.45Å; Q423-F450 HydrophobicContact CB-CZ 4.43Å; R445-F450 WeakPolarHBondContact CD-O 3.31Å; K447-F450 HydrophobicContact CB-CB 4Å; K447-F450 WeakPolarHBondContact O-CB 3.5Å; K447-F450 PolarHBondContact O-N 2.92Å; R448-F450 PolarHBondContact O-N 2.99Å; R448-F450 VanDerWaalsContact O-N 3.15Å; F450-P452 HydrophobicContact CE1-CB 4.08Å; F450-P452 HydrophobicContact CZ-CB 4.36Å; F450-L456 HydrophobicContact CE1-CD2 4.28Å
451I83.4Confident81.9Confident135 Ų13545.9 Ų45.969%0.69225%0.249SC*.  trans-117.7113.2174.1-62.3172.9000104.9G449G449-I451 PolarHBondContact O-N 3.18Å
452P77.8Confident80.4Confident25 Ų2550.2 Ų50.216%0.16227%0.265CS..  trans-66.5137-178.827.7-32.5000109.4F418 F450 L456 I460F418-P452 HydrophobicContact CD2-CG 4.3Å; F418-P452 HydrophobicContact CE2-CG 4.09Å; F450-P452 HydrophobicContact CE1-CB 4.08Å; F450-P452 HydrophobicContact CZ-CB 4.36Å; P452-L456 HydrophobicContact CB-CB 4.24Å; P452-L456 HydrophobicContact CB-CD2 3.81Å; P452-L456 HydrophobicContact CB-CG 3.75Å; P452-I460 HydrophobicContact CB-CD1 4.02Å; P452-I460 HydrophobicContact CG-CD1 3.52Å
453D68.4Low79.1Confident96 Ų9652.8 Ų52.851%0.51328%0.283SS..  trans-116.9-174.5173.164.124.9000109.8Q423 L456 G457Q423-D453 PolarHBondContact NE2-O 3.17Å; Q423-D453 VanDerWaalsContact NE2-O 3.1Å; Q423-D453 PolarHBondContact NE2-OD1 3.3Å; D453-L456 PolarHBondContact O-N 3.5Å; D453-G457 PolarHBondContact O-N 3.12Å
454S67.1Low78.5Confident73 Ų7364 Ų6451%0.5133%0.326SS..Hα-helixtrans50.3-144.8176.8-166.20000112.6L456 G457 F458S454-L456 VanDerWaalsContact C-N 3.26Å; S454-L456 PolarHBondContact O-N 3.2Å; S454-G457 PolarHBondContact O-N 3.25Å; S454-G457 VanDerWaalsContact O-N 3.15Å; S454-F458 WeakPolarHBondContact O-CD2 3.42Å; S454-F458 PolarHBondContact O-N 2.71Å
455W78.6Confident78.3Confident59 Ų5968.8 Ų68.822%0.22334%0.344CS..Hα-helixtrans-53.3-36.3-175.673.6-95.2000113.7Y422 Q423 T428 A431 F458 M459Y422-W455 HydrophobicContact CD1-CH2 4.39Å; Y422-W455 HydrophobicContact CE1-CH2 4.03Å; Q423-W455 HydrophobicContact CB-CZ2 4.49Å; Q423-W455 HydrophobicContact CG-CZ2 4.08Å; Q423-W455 WeakPolarHBondContact O-CZ2 3.3Å; Q423-W455 PolarHBondContact O-NE1 2.89Å; T428-W455 HydrophobicContact CG2-CH2 3.37Å; T428-W455 HydrophobicContact CG2-CZ2 3.05Å; T428-W455 HydrophobicContact CG2-CZ3 4.48Å; A431-W455 HydrophobicContact CB-CZ3 4.17Å; W455-F458 WeakPolarHBondContact O-CB 3.22Å; W455-F458 PolarHBondContact O-N 3.32Å; W455-M459 HydrophobicContact CE3-CE 4.12Å; W455-M459 HydrophobicContact CZ3-CE 3.84Å; W455-M459 HydrophobicContact CZ3-SD 4.26Å; W455-M459 WeakPolarHBondContact O-CB 3.09Å; W455-M459 PolarHBondContact O-N 3.44Å
456L73.7Confident78.3Confident0 Ų067.9 Ų67.90%034%0.341CS..Hα-helixtrans-76.6-40-179.1-179.563.5000111F418 Y422 Q423 F450 P452 D453 S454 F458 M459 I460F418-L456 HydrophobicContact CB-CD1 4.31Å; F418-L456 HydrophobicContact CB-CD2 4.03Å; Y422-L456 HydrophobicContact CD1-CD1 4.4Å; Y422-L456 HydrophobicContact CD1-CD2 4.45Å; Y422-L456 HydrophobicContact CE1-CD1 4.34Å; Q423-L456 HydrophobicContact CB-CD2 3.66Å; Q423-L456 HydrophobicContact CG-CB 3.85Å; Q423-L456 HydrophobicContact CG-CD2 3.82Å; F450-L456 HydrophobicContact CE1-CD2 4.28Å; P452-L456 HydrophobicContact CB-CB 4.24Å; P452-L456 HydrophobicContact CB-CD2 3.81Å; P452-L456 HydrophobicContact CB-CG 3.75Å; D453-L456 PolarHBondContact O-N 3.5Å; S454-L456 VanDerWaalsContact C-N 3.26Å; S454-L456 PolarHBondContact O-N 3.2Å; L456-F458 VanDerWaalsContact C-N 3.28Å; L456-F458 PolarHBondContact O-N 2.97Å; L456-M459 PolarHBondContact O-N 3.39Å; L456-I460 HydrophobicContact CD1-CD1 4Å; L456-I460 HydrophobicContact CG-CD1 3.99Å; L456-I460 WeakPolarHBondContact O-CG1 3.19Å; L456-I460 PolarHBondContact O-N 2.99Å
457G73.8Confident78.2Confident11 Ų1167.6 Ų67.611%0.11334%0.339CS..Hα-helixtrans-61.7-35.9170.400000112.4D453 S454 G461D453-G457 PolarHBondContact O-N 3.12Å; S454-G457 PolarHBondContact O-N 3.25Å; S454-G457 VanDerWaalsContact O-N 3.15Å; G457-G461 PolarHBondContact O-N 3.35Å
458F66.4Low78.3Confident39 Ų3964 Ų6417%0.17132%0.324CS..Hα-helixtrans-66.2-41.5171-80.8-83.6000112.7M127 R130 Y174 S454 W455 L456M127-F458 HydrophobicContact CG-CE1 4.49Å; R130-F458 HydrophobicContact CB-CE1 4.07Å; R130-F458 HydrophobicContact CB-CZ 4.32Å; R130-F458 HydrophobicContact CG-CD1 4.48Å; R130-F458 HydrophobicContact CG-CE1 3.48Å; R130-F458 VanDerWaalsContact CG-CE1 3.48Å; R130-F458 HydrophobicContact CG-CZ 3.68Å; R130-F458 VanDerWaalsContact NH1-CD1 3.33Å; Y174-F458 HydrophobicContact CD1-CE1 4.29Å; Y174-F458 HydrophobicContact CE1-CE1 4.48Å; S454-F458 WeakPolarHBondContact O-CD2 3.42Å; S454-F458 PolarHBondContact O-N 2.71Å; W455-F458 WeakPolarHBondContact O-CB 3.22Å; W455-F458 PolarHBondContact O-N 3.32Å; L456-F458 VanDerWaalsContact C-N 3.28Å; L456-F458 PolarHBondContact O-N 2.97Å
459M73.6Confident78.6Confident24 Ų2456 Ų5612%0.11830%0.296CS..Hα-helixtrans-67.2-38.9-178.9-172.8-179.4-73.600111.8I416 A431 E432 R435 F443 W455 L456I416-M459 HydrophobicContact CD1-SD 4.17Å; A431-M459 HydrophobicContact CB-CE 3.63Å; A431-M459 HydrophobicContact CB-SD 3.52Å; A431-M459 VanDerWaalsContact CB-SD 3.52Å; A431-M459 VanDerWaalsContact O-CE 3.32Å; A431-M459 WeakPolarHBondContact O-CE 3.5Å; E432-M459 HydrophobicContact CG-CE 4.35Å; R435-M459 HydrophobicContact CB-CE 4.45Å; F443-M459 HydrophobicContact CE1-CG 4.08Å; F443-M459 HydrophobicContact CE1-SD 4.2Å; F443-M459 HydrophobicContact CZ-CG 3.91Å; W455-M459 HydrophobicContact CE3-CE 4.12Å; W455-M459 HydrophobicContact CZ3-CE 3.84Å; W455-M459 HydrophobicContact CZ3-SD 4.26Å; W455-M459 WeakPolarHBondContact O-CB 3.09Å; W455-M459 PolarHBondContact O-N 3.44Å; L456-M459 PolarHBondContact O-N 3.39Å
460I79.8Confident78.9Confident7 Ų756.2 Ų56.24%0.03630%0.299CS..Hα-helixtrans-75.2-45177.5-66.7164.3000110.3F418 F443 P452 L456 E462 S463F418-I460 HydrophobicContact CD1-CD1 4.01Å; F418-I460 HydrophobicContact CD2-CD1 4.12Å; F418-I460 HydrophobicContact CE1-CD1 4.16Å; F418-I460 HydrophobicContact CE2-CD1 4.29Å; F418-I460 HydrophobicContact CG-CD1 3.97Å; F418-I460 HydrophobicContact CZ-CD1 4.28Å; F443-I460 HydrophobicContact CB-CG1 4.31Å; F443-I460 HydrophobicContact CD1-CD1 4.08Å; F443-I460 HydrophobicContact CD1-CG1 3.44Å; F443-I460 VanDerWaalsContact CD1-CG1 3.44Å; F443-I460 HydrophobicContact CD2-CG1 4.03Å; F443-I460 HydrophobicContact CD2-CG2 4.42Å; F443-I460 HydrophobicContact CE1-CG1 3.59Å; F443-I460 HydrophobicContact CE2-CG1 4.17Å; F443-I460 HydrophobicContact CG-CD1 4.39Å; F443-I460 HydrophobicContact CG-CG1 3.67Å; F443-I460 HydrophobicContact CZ-CG1 3.96Å; P452-I460 HydrophobicContact CB-CD1 4.02Å; P452-I460 HydrophobicContact CG-CD1 3.52Å; L456-I460 HydrophobicContact CD1-CD1 4Å; L456-I460 HydrophobicContact CG-CD1 3.99Å; L456-I460 WeakPolarHBondContact O-CG1 3.19Å; L456-I460 PolarHBondContact O-N 2.99Å; I460-E462 PolarHBondContact O-N 3.1Å; I460-S463 WeakPolarHBondContact O-CA 3.36Å; I460-S463 WeakPolarHBondContact O-CB 3.14Å; I460-S463 PolarHBondContact O-N 3.47Å; I460-S463 PolarHBondContact O-OG 3.49Å
461G68.9Low78.9Confident31 Ų3159.6 Ų59.632%0.3231%0.314SS..THydrogen-bonded Turntrans57.3-131.2178.900000112.4G457 S463G457-G461 PolarHBondContact O-N 3.35Å; G461-S463 VanDerWaalsContact C-N 3.31Å
462E56.6Low79.3Confident142 Ų14258 Ų5866%0.66430%0.299SS*.THydrogen-bonded Turntrans-88.86.8171.7-63-175.617700113.1I460 R464I460-E462 PolarHBondContact O-N 3.1Å; E462-R464 PolarHBondContact O-N 2.86Å
463S65.9Low80Confident61 Ų6160.7 Ų60.743%0.42732%0.317SS..  trans-61.4139.7-179.6-52.90000110.6I460 G461I460-S463 WeakPolarHBondContact O-CA 3.36Å; I460-S463 WeakPolarHBondContact O-CB 3.14Å; I460-S463 PolarHBondContact O-N 3.47Å; I460-S463 PolarHBondContact O-OG 3.49Å; G461-S463 VanDerWaalsContact C-N 3.31Å
464R79.7Confident81.2Confident241 Ų24157.3 Ų57.391%0.90930%0.298SS*.  trans-64.1141.5171.3-65.2-175.8-179.6179.30.8109.4E462E462-R464 PolarHBondContact O-N 2.86Å
465Y90.9Very high82.4Confident99 Ų9959.8 Ų59.839%0.38830%0.301SS..EExtended strand (participates in β ladder)trans-125.2155171.463.1-98000110.1F418 F443 R445F418-Y465 HydrophobicContact CE1-CG 4.21Å; F418-Y465 HydrophobicContact CZ-CD1 4.41Å; F418-Y465 HydrophobicContact CZ-CD2 4.1Å; F418-Y465 AromaticContact CZ-CG 3.94Å; F418-Y465 HydrophobicContact CZ-CG 3.94Å; F443-Y465 CarbonylContact O-C 3.57Å; F443-Y465 VanDerWaalsContact O-CA 3.24Å; F443-Y465 WeakPolarHBondContact O-CA 3.48Å; F443-Y465 VanDerWaalsContact O-CB 3.32Å; F443-Y465 WeakPolarHBondContact O-CB 2.97Å; R445-Y465 HydrophobicContact CB-CD2 4.05Å; R445-Y465 HydrophobicContact CB-CE2 4.33Å; R445-Y465 PolarHBondContact NH1-OH 3.06Å
466I93.7Very high83Confident6 Ų660.9 Ų60.93%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-102.8133.9176.9-53.1175.9000108.6I442 F443 L444 R445 F468 K477 E480 L481I442-I466 HydrophobicContact CG2-CD1 4.32Å; F443-I466 PolarHBondContact O-N 3.28Å; L444-I466 CarbonylContact C-O 3.4Å; L444-I466 WeakPolarHBondContact CA-O 3.23Å; L444-I466 HydrophobicContact CD2-CB 3.77Å; L444-I466 HydrophobicContact CD2-CD1 4.23Å; L444-I466 HydrophobicContact CD2-CG1 4.28Å; R445-I466 PolarHBondContact N-O 3Å; I466-F468 HydrophobicContact CB-CD2 4.47Å; I466-F468 HydrophobicContact CB-CE2 4.21Å; I466-F468 HydrophobicContact CG2-CD2 4.02Å; I466-F468 HydrophobicContact CG2-CE2 3.59Å; I466-F468 HydrophobicContact CG2-CZ 4.33Å; I466-F468 PolarHBondContact O-N 3.26Å; I466-K477 HydrophobicContact CG2-CB 4.04Å; I466-K477 HydrophobicContact CG2-CD 4.1Å; I466-E480 HydrophobicContact CD1-CG 4.15Å; I466-E480 HydrophobicContact CG1-CG 4.25Å; I466-E480 HydrophobicContact CG2-CB 4.46Å; I466-E480 HydrophobicContact CG2-CG 4.42Å; I466-L481 VanDerWaalsContact CD1-CA 3.44Å; I466-L481 HydrophobicContact CD1-CB 3.89Å; I466-L481 HydrophobicContact CD1-CD1 4.08Å
467D92.9Very high84Confident6 Ų662.2 Ų62.23%0.03232%0.32CS..EExtended strand (participates in β ladder)trans-97.791.9-169.7-172.221.8000113.3R445 S469 Y472 K477R445-D467 IonicContact CZ-OD1 3.4Å; R445-D467 IonicContact CZ-OD2 2.94Å; R445-D467 IonicContact NE-OD1 2.7Å; R445-D467 PolarHBondContact NE-OD1 3.45Å; R445-D467 IonicContact NE-OD2 3.32Å; R445-D467 IonicContact NH2-OD1 3.15Å; R445-D467 PolarHBondContact NH2-OD1 3.22Å; R445-D467 IonicContact NH2-OD2 2.99Å; R445-D467 PolarHBondContact NH2-OD2 3.38Å; D467-S469 VanDerWaalsContact C-N 3.29Å; D467-S469 WeakPolarHBondContact OD1-CB 3Å; D467-S469 PolarHBondContact OD1-N 3.44Å; D467-S469 PolarHBondContact OD1-OG 3.43Å; D467-S469 VanDerWaalsContact OD1-OG 3.09Å; D467-Y472 HydrophobicContact CB-CD2 4.09Å; D467-Y472 HydrophobicContact CB-CE2 4.13Å; D467-Y472 WeakPolarHBondContact OD2-CE2 3.2Å; D467-K477 WeakPolarHBondContact O-CG 3.37Å
468F95.4Very high84.9Confident15 Ų1562.9 Ų62.97%0.06632%0.32CS..  trans-88.915.6174.5-78.3-80.3000113.6I372 I376 L444 R445 V446 I466 G470 F474 K477 L481I372-F468 HydrophobicContact CD1-CB 4.36Å; I372-F468 HydrophobicContact CD1-CD1 4.32Å; I372-F468 HydrophobicContact CG1-CB 4.34Å; I376-F468 HydrophobicContact CD1-CD1 4.28Å; I376-F468 HydrophobicContact CD1-CD2 4.2Å; I376-F468 HydrophobicContact CD1-CE1 4.45Å; I376-F468 HydrophobicContact CD1-CE2 4.36Å; I376-F468 HydrophobicContact CD1-CG 4.14Å; I376-F468 HydrophobicContact CD1-CZ 4.48Å; I376-F468 HydrophobicContact CG1-CD1 4.49Å; I376-F468 HydrophobicContact CG1-CE1 4.36Å; L444-F468 HydrophobicContact CB-CD2 4.22Å; L444-F468 HydrophobicContact CD1-CD2 4.36Å; L444-F468 HydrophobicContact CD1-CE2 4.31Å; L444-F468 HydrophobicContact CD2-CD2 4.08Å; L444-F468 HydrophobicContact CD2-CE2 3.95Å; L444-F468 HydrophobicContact CG-CD2 4.47Å; R445-F468 CarbonylContact O-C 3.57Å; R445-F468 VanDerWaalsContact O-C 3.26Å; R445-F468 VanDerWaalsContact O-CA 3.28Å; R445-F468 WeakPolarHBondContact O-CA 3.38Å; R445-F468 PolarHBondContact O-N 3.34Å; V446-F468 HydrophobicContact CG1-CB 4.49Å; I466-F468 HydrophobicContact CB-CD2 4.47Å; I466-F468 HydrophobicContact CB-CE2 4.21Å; I466-F468 HydrophobicContact CG2-CD2 4.02Å; I466-F468 HydrophobicContact CG2-CE2 3.59Å; I466-F468 HydrophobicContact CG2-CZ 4.33Å; I466-F468 PolarHBondContact O-N 3.26Å; F468-G470 PolarHBondContact O-N 2.72Å; F468-F474 AromaticContact CD1-CD2 3.78Å; F468-F474 HydrophobicContact CD1-CD2 3.78Å; F468-F474 AromaticContact CD1-CE2 3.84Å; F468-F474 HydrophobicContact CD1-CE2 3.84Å; F468-F474 AromaticContact CE1-CD2 3.77Å; F468-F474 HydrophobicContact CE1-CD2 3.77Å; F468-F474 AromaticContact CE1-CE2 3.63Å; F468-F474 HydrophobicContact CE1-CE2 3.63Å; F468-F474 HydrophobicContact CE1-CZ 4.34Å; F468-K477 HydrophobicContact CD1-CB 4.28Å; F468-K477 HydrophobicContact CE1-CB 3.9Å; F468-K477 HydrophobicContact CE2-CB 4.41Å; F468-K477 HydrophobicContact CZ-CB 3.98Å; F468-K477 WeakPolarHBondContact CZ-O 3.49Å; F468-L481 HydrophobicContact CE2-CB 4.34Å; F468-L481 HydrophobicContact CE2-CD2 4.16Å; F468-L481 HydrophobicContact CZ-CB 4.22Å; F468-L481 HydrophobicContact CZ-CD2 4.08Å
469S92.3Very high86Confident18 Ų1866.3 Ų66.313%0.12634%0.337CS..SBendtrans-74.311.5-174.590.60000115.8R445 K447 R448 D467 K471R445-S469 PolarHBondContact O-N 2.87Å; R445-S469 VanDerWaalsContact O-N 3.11Å; K447-S469 VanDerWaalsContact C-CB 3.42Å; R448-S469 WeakPolarHBondContact CA-OG 3.35Å; R448-S469 WeakPolarHBondContact CB-OG 3.46Å; D467-S469 VanDerWaalsContact C-N 3.29Å; D467-S469 WeakPolarHBondContact OD1-CB 3Å; D467-S469 PolarHBondContact OD1-N 3.44Å; D467-S469 PolarHBondContact OD1-OG 3.43Å; D467-S469 VanDerWaalsContact OD1-OG 3.09Å; S469-K471 VanDerWaalsContact C-N 3.25Å; S469-K471 PolarHBondContact O-N 3.35Å
470G89.3Confident86.9Confident62 Ų6268.6 Ų68.664%0.63935%0.347SS*.SBendtrans7310.1-169.600000114.8F468 Y472F468-G470 PolarHBondContact O-N 2.72Å; G470-Y472 VanDerWaalsContact C-N 3.33Å
471K89.4Confident87.5Confident102 Ų10268.3 Ų68.344%0.44335%0.345SS..SBendtrans-71.1-31.3173.2-176.3-179.4175.2-162.20112S469S469-K471 VanDerWaalsContact C-N 3.25Å; S469-K471 PolarHBondContact O-N 3.35Å
472Y91.3Very high88.5Confident100 Ų10067.4 Ų67.439%0.39233%0.334SS..SBendtrans-124.4157.1-178.9-57.2-78.4000109.9D467 G470 F474 K477D467-Y472 HydrophobicContact CB-CD2 4.09Å; D467-Y472 HydrophobicContact CB-CE2 4.13Å; D467-Y472 WeakPolarHBondContact OD2-CE2 3.2Å; G470-Y472 VanDerWaalsContact C-N 3.33Å; Y472-F474 PolarHBondContact O-N 3.26Å; Y472-K477 HydrophobicContact CD2-CD 4.44Å
473P91.6Very high89.9Confident82 Ų8264.1 Ų64.153%0.53232%0.324SS..  trans-53.8138.3171.3-24.234.3000111.1E475 V476 K477P473-E475 VanDerWaalsContact C-N 3.28Å; P473-E475 PolarHBondContact O-N 2.84Å; P473-V476 HydrophobicContact CB-CG2 4.14Å; P473-V476 HydrophobicContact CG-CG2 4.44Å; P473-V476 PolarHBondContact O-N 3.38Å; P473-K477 PolarHBondContact O-N 3.38Å
474F94.4Very high91Very high25 Ų2563.1 Ų63.111%0.1132%0.315CS..Hα-helixtrans-60.5-42.2-174.8173.8-91.9000111.2I372 K375 I376 F468 Y472 V476 K477 F478I372-F474 HydrophobicContact CD1-CD2 4.22Å; I372-F474 HydrophobicContact CD1-CE2 3.99Å; K375-F474 HydrophobicContact CB-CE2 4.41Å; K375-F474 HydrophobicContact CB-CZ 4.49Å; K375-F474 HydrophobicContact CD-CD1 4.48Å; K375-F474 HydrophobicContact CD-CD2 3.83Å; K375-F474 HydrophobicContact CD-CE1 4.34Å; K375-F474 HydrophobicContact CD-CE2 3.66Å; K375-F474 HydrophobicContact CD-CG 4.24Å; K375-F474 HydrophobicContact CD-CZ 3.95Å; K375-F474 HydrophobicContact CG-CD2 4.45Å; K375-F474 HydrophobicContact CG-CE1 4.23Å; K375-F474 HydrophobicContact CG-CE2 3.79Å; K375-F474 HydrophobicContact CG-CZ 3.68Å; I376-F474 HydrophobicContact CG1-CE2 4.07Å; I376-F474 HydrophobicContact CG1-CZ 4.38Å; F468-F474 AromaticContact CD1-CD2 3.78Å; F468-F474 HydrophobicContact CD1-CD2 3.78Å; F468-F474 AromaticContact CD1-CE2 3.84Å; F468-F474 HydrophobicContact CD1-CE2 3.84Å; F468-F474 AromaticContact CE1-CD2 3.77Å; F468-F474 HydrophobicContact CE1-CD2 3.77Å; F468-F474 AromaticContact CE1-CE2 3.63Å; F468-F474 HydrophobicContact CE1-CE2 3.63Å; F468-F474 HydrophobicContact CE1-CZ 4.34Å; Y472-F474 PolarHBondContact O-N 3.26Å; F474-V476 VanDerWaalsContact C-N 3.33Å; F474-V476 PolarHBondContact O-N 2.8Å; F474-K477 PolarHBondContact O-N 3.41Å; F474-K477 VanDerWaalsContact O-N 3.16Å; F474-F478 HydrophobicContact CD1-CB 4.38Å; F474-F478 HydrophobicContact CE1-CB 4.08Å; F474-F478 HydrophobicContact CE1-CD2 4.19Å; F474-F478 HydrophobicContact CE1-CG 4.22Å; F474-F478 HydrophobicContact CZ-CB 4.49Å; F474-F478 HydrophobicContact CZ-CD2 4.09Å; F474-F478 VanDerWaalsContact O-CB 3.3Å; F474-F478 WeakPolarHBondContact O-CB 3.29Å; F474-F478 PolarHBondContact O-N 2.66Å
475E92.5Very high91.4Very high126 Ų12651.6 Ų51.659%0.58927%0.272SS*.Hα-helixtrans-62.6-40.2-174.1-61.567.3-144.800111.2P473 F478 E479P473-E475 VanDerWaalsContact C-N 3.28Å; P473-E475 PolarHBondContact O-N 2.84Å; E475-F478 PolarHBondContact O-N 3.43Å; E475-E479 PolarHBondContact O-N 3.15Å
476V90.2Very high90.9Very high81 Ų8148.1 Ų48.149%0.49126%0.26SS..Hα-helixtrans-64.8-42.9177175.60000111.1P473 F474 E480P473-V476 HydrophobicContact CB-CG2 4.14Å; P473-V476 HydrophobicContact CG-CG2 4.44Å; P473-V476 PolarHBondContact O-N 3.38Å; F474-V476 VanDerWaalsContact C-N 3.33Å; F474-V476 PolarHBondContact O-N 2.8Å; V476-E480 PolarHBondContact O-N 2.97Å
477K94.6Very high90.2Very high29 Ų2953.4 Ų53.413%0.12629%0.288CS..Hα-helixtrans-76.1-27.6179.5-66.3-53.5-164.9-1750112.8I466 D467 F468 Y472 P473 F474 E480 L481I466-K477 HydrophobicContact CG2-CB 4.04Å; I466-K477 HydrophobicContact CG2-CD 4.1Å; D467-K477 WeakPolarHBondContact O-CG 3.37Å; F468-K477 HydrophobicContact CD1-CB 4.28Å; F468-K477 HydrophobicContact CE1-CB 3.9Å; F468-K477 HydrophobicContact CE2-CB 4.41Å; F468-K477 HydrophobicContact CZ-CB 3.98Å; F468-K477 WeakPolarHBondContact CZ-O 3.49Å; Y472-K477 HydrophobicContact CD2-CD 4.44Å; P473-K477 PolarHBondContact O-N 3.38Å; F474-K477 PolarHBondContact O-N 3.41Å; F474-K477 VanDerWaalsContact O-N 3.16Å; K477-E480 WeakPolarHBondContact CD-OE2 3.49Å; K477-E480 IonicContact NZ-OE2 3.03Å; K477-E480 PolarHBondContact NZ-OE2 3.48Å; K477-E480 PolarHBondContact O-N 2.98Å; K477-L481 PolarHBondContact O-N 3.36Å
478F94Very high89.7Confident25 Ų2556 Ų5611%0.1130%0.301CS..Hα-helixtrans-66.4-42.7171.6-173.5-100.5000111.8S379 L380 E383 F474 E475 E480 L481 C482S379-F478 VanDerWaalsContact O-CZ 3.31Å; S379-F478 WeakPolarHBondContact O-CZ 3.45Å; L380-F478 HydrophobicContact CB-CE2 4.5Å; L380-F478 HydrophobicContact CD2-CE2 3.77Å; L380-F478 HydrophobicContact CD2-CZ 3.84Å; L380-F478 HydrophobicContact CG-CE2 3.79Å; L380-F478 HydrophobicContact CG-CZ 4.13Å; E383-F478 HydrophobicContact CG-CE1 4.3Å; E383-F478 HydrophobicContact CG-CZ 4.41Å; F474-F478 HydrophobicContact CD1-CB 4.38Å; F474-F478 HydrophobicContact CE1-CB 4.08Å; F474-F478 HydrophobicContact CE1-CD2 4.19Å; F474-F478 HydrophobicContact CE1-CG 4.22Å; F474-F478 HydrophobicContact CZ-CB 4.49Å; F474-F478 HydrophobicContact CZ-CD2 4.09Å; F474-F478 VanDerWaalsContact O-CB 3.3Å; F474-F478 WeakPolarHBondContact O-CB 3.29Å; F474-F478 PolarHBondContact O-N 2.66Å; E475-F478 PolarHBondContact O-N 3.43Å; F478-E480 VanDerWaalsContact C-N 3.33Å; F478-E480 PolarHBondContact O-N 2.59Å; F478-L481 WeakPolarHBondContact O-CB 3.4Å; F478-L481 PolarHBondContact O-N 2.75Å; F478-L481 VanDerWaalsContact O-N 3.15Å; F478-C482 VanDerWaalsContact CE1-SG 3.59Å; F478-C482 PolarHBondContact O-N 2.82Å
479E89.5Confident88.7Confident111 Ų11156 Ų5652%0.51930%0.303SS..Hα-helixtrans-62-40173.6-170.8178.2-170.800112.2E475 L481 C482 T483E475-E479 PolarHBondContact O-N 3.15Å; E479-L481 VanDerWaalsContact C-N 3.33Å; E479-L481 PolarHBondContact O-N 3.18Å; E479-C482 PolarHBondContact O-N 3.4Å; E479-T483 PolarHBondContact O-N 3.32Å; E479-T483 PolarHBondContact O-OG1 3.21Å
480E91.9Very high87.8Confident72 Ų7266.1 Ų66.134%0.33634%0.338SS..Hα-helixtrans-60.9-40.6172.8-172.2179.8169.300111.8I466 V476 K477 F478 T483 T484I466-E480 HydrophobicContact CD1-CG 4.15Å; I466-E480 HydrophobicContact CG1-CG 4.25Å; I466-E480 HydrophobicContact CG2-CB 4.46Å; I466-E480 HydrophobicContact CG2-CG 4.42Å; V476-E480 PolarHBondContact O-N 2.97Å; K477-E480 WeakPolarHBondContact CD-OE2 3.49Å; K477-E480 IonicContact NZ-OE2 3.03Å; K477-E480 PolarHBondContact NZ-OE2 3.48Å; K477-E480 PolarHBondContact O-N 2.98Å; F478-E480 VanDerWaalsContact C-N 3.33Å; F478-E480 PolarHBondContact O-N 2.59Å; E480-T483 PolarHBondContact O-N 3Å; E480-T484 WeakPolarHBondContact O-CB 3.38Å; E480-T484 PolarHBondContact O-N 3.27Å; E480-T484 PolarHBondContact O-OG1 3.32Å
481L93.3Very high86.6Confident0 Ų065.1 Ų65.10%033%0.328CS..Hα-helixtrans-64.1-48.4175.7174.459.4000111.6I376 L380 L415 I442 L444 I466 F468 K477 F478 E479 T483 T484 I485I376-L481 HydrophobicContact CG2-CD2 3.87Å; L380-L481 HydrophobicContact CD1-CD2 4.33Å; L380-L481 HydrophobicContact CD2-CD2 4.37Å; L415-L481 HydrophobicContact CD1-CD2 4.44Å; L415-L481 HydrophobicContact CD2-CD1 4.07Å; I442-L481 HydrophobicContact CD1-CD1 4.33Å; I442-L481 HydrophobicContact CG2-CD1 4.02Å; L444-L481 HydrophobicContact CD1-CD2 4.31Å; L444-L481 HydrophobicContact CD2-CD1 4.13Å; I466-L481 VanDerWaalsContact CD1-CA 3.44Å; I466-L481 HydrophobicContact CD1-CB 3.89Å; I466-L481 HydrophobicContact CD1-CD1 4.08Å; F468-L481 HydrophobicContact CE2-CB 4.34Å; F468-L481 HydrophobicContact CE2-CD2 4.16Å; F468-L481 HydrophobicContact CZ-CB 4.22Å; F468-L481 HydrophobicContact CZ-CD2 4.08Å; K477-L481 PolarHBondContact O-N 3.36Å; F478-L481 WeakPolarHBondContact O-CB 3.4Å; F478-L481 PolarHBondContact O-N 2.75Å; F478-L481 VanDerWaalsContact O-N 3.15Å; E479-L481 VanDerWaalsContact C-N 3.33Å; E479-L481 PolarHBondContact O-N 3.18Å; L481-T483 VanDerWaalsContact C-N 3.33Å; L481-T483 PolarHBondContact O-N 3.05Å; L481-T484 WeakPolarHBondContact O-CB 3.21Å; L481-T484 PolarHBondContact O-N 3.28Å; L481-T484 VanDerWaalsContact O-N 3.14Å; L481-I485 HydrophobicContact CD1-CD1 3.85Å; L481-I485 HydrophobicContact CD1-CG1 4.12Å; L481-I485 HydrophobicContact CG-CD1 3.87Å; L481-I485 WeakPolarHBondContact O-CG1 3.47Å; L481-I485 PolarHBondContact O-N 3.5Å
482C88.8Confident85.4Confident13 Ų1365.1 Ų65.19%0.08834%0.341CS..Hα-helixtrans-55.8-47.6175.6-77.80000111.8F478 E479 T484 I485 N486 L495F478-C482 VanDerWaalsContact CE1-SG 3.59Å; F478-C482 PolarHBondContact O-N 2.82Å; E479-C482 PolarHBondContact O-N 3.4Å; C482-T484 VanDerWaalsContact C-N 3.31Å; C482-T484 PolarHBondContact O-N 3.26Å; C482-I485 PolarHBondContact O-N 3.4Å; C482-N486 PolarHBondContact O-N 2.92Å; C482-L495 HydrophobicContact CB-CD1 3.76Å; C482-L495 HydrophobicContact CB-CD2 4.47Å; C482-L495 WeakPolarHBondContact O-CD1 3.3Å
483T86.4Confident84.3Confident73 Ų7360.9 Ų60.945%0.44833%0.325SS..Hα-helixtrans-59.4-43.2176.3-57.50000111.6E479 E480 L481 N486 N487E479-T483 PolarHBondContact O-N 3.32Å; E479-T483 PolarHBondContact O-OG1 3.21Å; E480-T483 PolarHBondContact O-N 3Å; L481-T483 VanDerWaalsContact C-N 3.33Å; L481-T483 PolarHBondContact O-N 3.05Å; T483-N486 PolarHBondContact O-N 2.88Å; T483-N487 WeakPolarHBondContact O-CB 3.17Å; T483-N487 VanDerWaalsContact O-CG 3.23Å; T483-N487 PolarHBondContact O-N 3.5Å; T483-N487 PolarHBondContact O-ND2 2.99Å
484T88.7Confident82.7Confident39 Ų3961.2 Ų61.224%0.23933%0.326CS..Hα-helixtrans-64.9-42.6179.1-57.10000111.8I442 E480 L481 C482 N487 I488I442-T484 HydrophobicContact CD1-CG2 3.92Å; I442-T484 HydrophobicContact CG1-CG2 4.21Å; I442-T484 HydrophobicContact CG2-CG2 4.27Å; E480-T484 WeakPolarHBondContact O-CB 3.38Å; E480-T484 PolarHBondContact O-N 3.27Å; E480-T484 PolarHBondContact O-OG1 3.32Å; L481-T484 WeakPolarHBondContact O-CB 3.21Å; L481-T484 PolarHBondContact O-N 3.28Å; L481-T484 VanDerWaalsContact O-N 3.14Å; C482-T484 VanDerWaalsContact C-N 3.31Å; C482-T484 PolarHBondContact O-N 3.26Å; T484-N487 PolarHBondContact O-N 3.45Å; T484-I488 HydrophobicContact CG2-CD1 3.82Å; T484-I488 WeakPolarHBondContact O-CB 3.42Å; T484-I488 WeakPolarHBondContact O-CG1 3.41Å; T484-I488 PolarHBondContact O-N 3.46Å
485I87.5Confident81.2Confident0 Ų060.4 Ų60.40%032%0.323CS..Hα-helixtrans-61.1-45.4175.5-72.3166.1000111I361 L380 I413 I442 L481 C482 N487 I488 S489 I493I361-I485 HydrophobicContact CD1-CD1 3.73Å; I361-I485 HydrophobicContact CD1-CG1 4.1Å; I361-I485 HydrophobicContact CD1-CG2 3.84Å; L380-I485 HydrophobicContact CD1-CD1 4.29Å; L380-I485 HydrophobicContact CD2-CD1 3.71Å; I413-I485 HydrophobicContact CD1-CB 4.46Å; I413-I485 HydrophobicContact CD1-CG1 4.5Å; I413-I485 HydrophobicContact CD1-CG2 4.08Å; I442-I485 HydrophobicContact CD1-CG1 3.67Å; L481-I485 HydrophobicContact CD1-CD1 3.85Å; L481-I485 HydrophobicContact CD1-CG1 4.12Å; L481-I485 HydrophobicContact CG-CD1 3.87Å; L481-I485 WeakPolarHBondContact O-CG1 3.47Å; L481-I485 PolarHBondContact O-N 3.5Å; C482-I485 PolarHBondContact O-N 3.4Å; I485-N487 PolarHBondContact O-N 3.04Å; I485-I488 PolarHBondContact O-N 2.7Å; I485-S489 VanDerWaalsContact O-CB 3.26Å; I485-S489 WeakPolarHBondContact O-CB 3.5Å; I485-S489 PolarHBondContact O-N 3.12Å; I485-S489 PolarHBondContact O-OG 3.13Å; I485-I493 HydrophobicContact CG2-CB 4.3Å; I485-I493 HydrophobicContact CG2-CD1 3.94Å; I485-I493 HydrophobicContact CG2-CG2 4.01Å
486N81.7Confident79.6Confident26 Ų2659.1 Ų59.114%0.13932%0.315CS..Hα-helixtrans-62.1-45179.2-167.414.9000111.5C482 T483 S489 R490 G491 L495 E498C482-N486 PolarHBondContact O-N 2.92Å; T483-N486 PolarHBondContact O-N 2.88Å; N486-S489 PolarHBondContact O-N 3.15Å; N486-S489 PolarHBondContact O-OG 3.09Å; N486-R490 PolarHBondContact O-N 2.86Å; N486-R490 VanDerWaalsContact O-N 3.07Å; N486-G491 PolarHBondContact O-N 2.89Å; N486-G491 WeakPolarHBondContact OD1-CA 3.11Å; N486-L495 HydrophobicContact CB-CD1 4.11Å; N486-E498 PolarHBondContact ND2-OE1 3.44Å
487N79.2Confident77.8Confident117 Ų11759.9 Ų59.963%0.62631%0.313SS*.Hα-helixtrans-62.5-46.1178.1-71.8-22.6000112.4T483 T484 I485 R490T483-N487 WeakPolarHBondContact O-CB 3.17Å; T483-N487 VanDerWaalsContact O-CG 3.23Å; T483-N487 PolarHBondContact O-N 3.5Å; T483-N487 PolarHBondContact O-ND2 2.99Å; T484-N487 PolarHBondContact O-N 3.45Å; I485-N487 PolarHBondContact O-N 3.04Å; N487-R490 PolarHBondContact O-N 2.83Å
488I81.2Confident75.4Confident60 Ų6062.3 Ų62.331%0.30833%0.325SS..Hα-helixtrans-68.4-41.4-179.4-71.9173.4000111.2I413 P440 I442 T484 I485 R490I413-I488 HydrophobicContact CD1-CB 4.19Å; I413-I488 HydrophobicContact CD1-CG2 3.81Å; I413-I488 HydrophobicContact CG1-CG2 3.96Å; P440-I488 HydrophobicContact CB-CG2 3.57Å; P440-I488 HydrophobicContact CG-CG2 3.57Å; I442-I488 HydrophobicContact CD1-CD1 3.81Å; I442-I488 HydrophobicContact CG1-CD1 3.56Å; T484-I488 HydrophobicContact CG2-CD1 3.82Å; T484-I488 WeakPolarHBondContact O-CB 3.42Å; T484-I488 WeakPolarHBondContact O-CG1 3.41Å; T484-I488 PolarHBondContact O-N 3.46Å; I485-I488 PolarHBondContact O-N 2.7Å; I488-R490 PolarHBondContact O-N 3.14Å
489S75.7Confident72.9Confident14 Ų1467.4 Ų67.410%0.09835%0.347CS..Hα-helixtrans-75.1-5178.466.50000113.6I485 N486 G491 S492 I493I485-S489 VanDerWaalsContact O-CB 3.26Å; I485-S489 WeakPolarHBondContact O-CB 3.5Å; I485-S489 PolarHBondContact O-N 3.12Å; I485-S489 PolarHBondContact O-OG 3.13Å; N486-S489 PolarHBondContact O-N 3.15Å; N486-S489 PolarHBondContact O-OG 3.09Å; S489-G491 PolarHBondContact O-N 2.87Å; S489-S492 WeakPolarHBondContact O-CB 3.47Å; S489-S492 PolarHBondContact O-N 3.18Å; S489-S492 PolarHBondContact O-OG 3.27Å; S489-I493 PolarHBondContact OG-N 3.48Å
490R72.8Confident70.7Confident231 Ų23170.9 Ų70.987%0.87236%0.355SS*.THydrogen-bonded Turntrans52.638.4-176-57.5178.6178.8168.6-1.1112.3N486 N487 I488 S492N486-R490 PolarHBondContact O-N 2.86Å; N486-R490 VanDerWaalsContact O-N 3.07Å; N487-R490 PolarHBondContact O-N 2.83Å; I488-R490 PolarHBondContact O-N 3.14Å; R490-S492 VanDerWaalsContact C-N 3.29Å; R490-S492 PolarHBondContact O-N 3.49Å
491G64.1Low68.2Low41 Ų4173.7 Ų73.742%0.42337%0.368SS..THydrogen-bonded Turntrans78.63-177.800000115.6N486 S489 I493N486-G491 PolarHBondContact O-N 2.89Å; N486-G491 WeakPolarHBondContact OD1-CA 3.11Å; S489-G491 PolarHBondContact O-N 2.87Å; G491-I493 PolarHBondContact O-N 3.36Å
492S64.7Low65.8Low102 Ų10283.6 Ų83.671%0.71341%0.406SS*.SBendtrans-69.1-18.4176-46.30000112.6S489 R490S489-S492 WeakPolarHBondContact O-CB 3.47Å; S489-S492 PolarHBondContact O-N 3.18Å; S489-S492 PolarHBondContact O-OG 3.27Å; R490-S492 VanDerWaalsContact C-N 3.29Å; R490-S492 PolarHBondContact O-N 3.49Å
493I67Low63.5Low11 Ų1190.8 Ų90.86%0.05644%0.438CS..SBendtrans-109.9111.6172.5-60.7174.5000107.2I361 I385 I413 I485 S489 G491I361-I493 HydrophobicContact CD1-CD1 4.2Å; I361-I493 HydrophobicContact CG1-CD1 4.23Å; I385-I493 HydrophobicContact CD1-CG2 4.15Å; I385-I493 HydrophobicContact CG1-CG2 4.07Å; I385-I493 HydrophobicContact CG2-CG2 4.46Å; I413-I493 HydrophobicContact CD1-CD1 3.98Å; I485-I493 HydrophobicContact CG2-CB 4.3Å; I485-I493 HydrophobicContact CG2-CD1 3.94Å; I485-I493 HydrophobicContact CG2-CG2 4.01Å; S489-I493 PolarHBondContact OG-N 3.48Å; G491-I493 PolarHBondContact O-N 3.36Å
494T59Low61.2Low89 Ų8994.9 Ų94.955%0.54645%0.452SS..  trans-92.4122.8-177.6-44.70000111
495L62.3Low58.5Low9 Ų9102 Ų1025%0.04748%0.48CS..  trans-93.3147.8177.7-62.5164.4000111.3E383 I385 C482 N486 H497E383-L495 HydrophobicContact CB-CD2 3.92Å; E383-L495 HydrophobicContact CG-CD2 4.36Å; I385-L495 HydrophobicContact CD1-CD2 3.52Å; I385-L495 HydrophobicContact CG1-CD2 4.15Å; C482-L495 HydrophobicContact CB-CD1 3.76Å; C482-L495 HydrophobicContact CB-CD2 4.47Å; C482-L495 WeakPolarHBondContact O-CD1 3.3Å; N486-L495 HydrophobicContact CB-CD1 4.11Å; L495-H497 VanDerWaalsContact C-N 3.31Å; L495-H497 PolarHBondContact O-N 3.07Å
496K58.9Low55.9Low99 Ų99107.9 Ų107.943%0.4352%0.518SS..SBendtrans-69.6-30.3179.3-77.7-178.8-176.4147.60112E382 E383 E498 K499E382-K496 WeakPolarHBondContact O-CD 3.28Å; E382-K496 PolarHBondContact O-NZ 3.33Å; E383-K496 WeakPolarHBondContact OE2-CB 3.46Å; E383-K496 PolarHBondContact OE2-N 3.45Å; K496-E498 VanDerWaalsContact C-N 3.27Å; K496-E498 PolarHBondContact O-N 3.43Å; K496-K499 PolarHBondContact O-N 2.84Å
497H52.9Low53.7Low96 Ų96113.7 Ų113.744%0.44455%0.548SS..Hα-helixtrans-60.2-32-176.3-136.769.2000113.8E383 L495 K499E383-H497 PolarHBondContact OE2-N 3Å; L495-H497 VanDerWaalsContact C-N 3.31Å; L495-H497 PolarHBondContact O-N 3.07Å; H497-K499 PolarHBondContact O-N 2.99Å
498E44.6Very low51.7Low80 Ų80117.3 Ų117.337%0.37456%0.561SS.*Hα-helixtrans-71.9-26.1175.8-74-168.2161.600113.8N486 K496 R502N486-E498 PolarHBondContact ND2-OE1 3.44Å; K496-E498 VanDerWaalsContact C-N 3.27Å; K496-E498 PolarHBondContact O-N 3.43Å; E498-R502 WeakPolarHBondContact O-CG 3.47Å; E498-R502 PolarHBondContact O-N 2.96Å
499K40.3Very low49.4Very low133 Ų133123.3 Ų123.358%0.57859%0.585SS**Hα-helixtrans-71.7-30.1179.2-74.2-177.4178.7173.50112.4K496 H497 Q503K496-K499 PolarHBondContact O-N 2.84Å; H497-K499 PolarHBondContact O-N 2.99Å; K499-Q503 WeakPolarHBondContact O-CG 3.4Å
500R43.5Very low47.8Very low183 Ų183132.2 Ų132.269%0.69162%0.622SS**Hα-helixtrans-73.5-42178.4-70.4-175.9179-1801.3112R502 Q503R500-R502 VanDerWaalsContact C-N 3.31Å; R500-R502 PolarHBondContact O-N 2.91Å; R500-Q503 PolarHBondContact O-N 3.38Å
501Q39.9Very low45.9Very low132 Ų132129.8 Ų129.862%0.61762%0.62SS**Hα-helixtrans-69-26.2179-65.2-172.712.400113.8
502R43.6Very low44.7Very low207 Ų207134.7 Ų134.778%0.78164%0.637SS**Hα-helixtrans-80.2-16176.6-71.4-175.8-176.7-169.35.1114.1E498 R500E498-R502 WeakPolarHBondContact O-CG 3.47Å; E498-R502 PolarHBondContact O-N 2.96Å; R500-R502 VanDerWaalsContact C-N 3.31Å; R500-R502 PolarHBondContact O-N 2.91Å
503Q40Very low43.6Very low164 Ų164135.8 Ų135.877%0.76664%0.64SS**Hα-helixtrans-91.8-12.6-179.3-74.3-179.7-4.700113.7K499 R500K499-Q503 WeakPolarHBondContact O-CG 3.4Å; R500-Q503 PolarHBondContact O-N 3.38Å
504E38.3Very low42.1Very low159 Ų159145.8 Ų145.874%0.74368%0.678SS**SBendtrans-99.912.5-171.8-72.6-176.116500116.1
505K31.4Very low41.5Very low190 Ų190148.2 Ų148.283%0.82669%0.693SS**  trans-122.694176-81.3-176.2176176.80114.2
506P33.7Very low40.3Very low122 Ų122152.8 Ų152.879%0.79273%0.726SS**  trans-81.4143.1160-6.525.1000111.6
507L33.8Very low39.5Very low148 Ų148160.9 Ų160.978%0.77577%0.768SS**  trans-66131.3-175.5-67.291.7000113.6
508E38.3Very low38.8Very low193 Ų193164.2 Ų164.290%0.90278%0.784SS**  trans-123.7100.7148.6-78-162.9158.700110.2
509K33.7Very low38.5Very low187 Ų187168.6 Ų168.681%0.81381%0.806SS**  trans-85119161-78.4179.4175.2178.30107.6
510K40.2Very low38.4Very low200 Ų200170.6 Ų170.687%0.8782%0.819SS**  trans-128.9112.1153.8-87.1-174177.5172.60110.4
511Q34.2Very low38.1Very low180 Ų180169.8 Ų169.884%0.84183%0.826SS**  trans-65.2138.9162-69.9164.4-36.200109.6
512N39.5Very low38Very low144 Ų144172.2 Ų172.277%0.7784%0.839SS**  175.7109.8121.1-91.1-13000108.7
513T41.1Very low37.6Very low125 Ų125169.9 Ų169.977%0.76784%0.843SS**  89.7109.988.6-47.60000111.5
514Y35.2Very low37.4Very low221 Ų221170.3 Ų170.387%0.86785%0.849SS**  trans-54143.4168.3-82.6-102.9000112.5
515V46.4Very low37.4Very low141 Ų141171.2 Ų171.286%0.85586%0.857SS**  -154.8139.7126.51780000108.9
516S36.3Very low37.8Very low105 Ų105169.6 Ų169.673%0.73486%0.859SS**  trans-54.4143.7-18055.20000117.8
517M41.9Very low38.2Very low269 Ų269173.9 Ų173.9100%1.32587%0.865SS**  -150.90120.2-115.9-177.3-167.900109.5

Retrieved 517 of 517 residues in 572.4 ms (Link to these results)

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