A0A077YWA0_TRITR Loading...

AAA domain containing protein

AlphaFold DB , UniProt , Accession A0A077YWA0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 402 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
1M37.6Very low70.2Confident139 Ų13961.8 Ų61.869%0.68533%0.326SS*.  0-53.50-100.3-168.1174.800117.1S3 E203M1-S3 PolarHBondContact O-N 3.13Å; M1-E203 PolarHBondContact N-OE1 2.71Å; M1-E203 VanDerWaalsContact N-OE1 3.1Å
2S46.6Very low72Confident106 Ų10661.3 Ų61.374%0.74132%0.323SS*.Hα-helixtrans-64.5-36.9-17150.50000113.5G6S2-G6 WeakPolarHBondContact O-CA 3.27Å; S2-G6 PolarHBondContact O-N 2.8Å
3S54.1Low73.3Confident43 Ų4358.7 Ų58.730%0.30131%0.311SS..Hα-helixtrans-65.8-54.4-175.7174.60000113.1M1 K5 G6 S7 P200M1-S3 PolarHBondContact O-N 3.13Å; S3-K5 PolarHBondContact O-N 3.31Å; S3-G6 CarbonylContact O-C 3.55Å; S3-G6 WeakPolarHBondContact O-CA 3.44Å; S3-G6 PolarHBondContact O-N 2.87Å; S3-S7 PolarHBondContact O-N 3.33Å; S3-S7 PolarHBondContact O-OG 3.39Å; S3-P200 WeakPolarHBondContact OG-CG 3.04Å
4F55.3Low74.7Confident38 Ų3854.6 Ų54.617%0.16729%0.289CS..Hα-helixtrans-63.5-42.7-178.8-161.8-80000113.4G6 S7 N8 M89 V199F4-G6 PolarHBondContact O-N 2.89Å; F4-S7 PolarHBondContact O-N 3.12Å; F4-N8 PolarHBondContact O-N 3.17Å; F4-N8 VanDerWaalsContact O-N 3.1Å; F4-M89 HydrophobicContact CD1-CE 4.5Å; F4-M89 HydrophobicContact CE1-CE 3.76Å; F4-M89 HydrophobicContact CE2-CE 3.8Å; F4-M89 HydrophobicContact CZ-CE 3.35Å; F4-V199 HydrophobicContact CD2-CG1 3.58Å; F4-V199 HydrophobicContact CE2-CG1 3.23Å; F4-V199 HydrophobicContact CZ-CG1 4.14Å
5K60.2Low75.9Confident130 Ų13050.9 Ų50.957%0.56527%0.27SS*.Hα-helixtrans-61.8-35.3171.9-73.7-174.1177.8-179.70110.5S3 R9S3-K5 PolarHBondContact O-N 3.31Å; K5-R9 WeakPolarHBondContact O-CB 3.23Å; K5-R9 PolarHBondContact O-N 3.18Å
6G78.2Confident76.7Confident25 Ų2552.1 Ų52.126%0.25827%0.272SS..Hα-helixtrans-60.5-51.6172.300000112.3S2 S3 F4 N8 R9 T10S2-G6 WeakPolarHBondContact O-CA 3.27Å; S2-G6 PolarHBondContact O-N 2.8Å; S3-G6 CarbonylContact O-C 3.55Å; S3-G6 WeakPolarHBondContact O-CA 3.44Å; S3-G6 PolarHBondContact O-N 2.87Å; F4-G6 PolarHBondContact O-N 2.89Å; G6-N8 PolarHBondContact O-N 2.94Å; G6-R9 PolarHBondContact O-N 2.92Å; G6-T10 VanDerWaalsContact O-CB 3.28Å; G6-T10 WeakPolarHBondContact O-CB 3.43Å; G6-T10 PolarHBondContact O-N 2.88Å; G6-T10 PolarHBondContact O-OG1 2.75Å
7S83.8Confident77.4Confident9 Ų949.3 Ų49.36%0.06326%0.257CS..Hα-helixtrans-62.3-46.2-178.7-50.80000111.6S3 F4 R9 T10 L11 H198S3-S7 PolarHBondContact O-N 3.33Å; S3-S7 PolarHBondContact O-OG 3.39Å; F4-S7 PolarHBondContact O-N 3.12Å; S7-R9 PolarHBondContact O-N 3.43Å; S7-T10 PolarHBondContact O-N 2.93Å; S7-L11 WeakPolarHBondContact O-CB 3.37Å; S7-L11 PolarHBondContact O-N 3.47Å; S7-H198 PolarHBondContact OG-O 3.24Å
8N87.4Confident78.1Confident52 Ų5246.6 Ų46.628%0.27824%0.243SC..Hα-helixtrans-59.2-48175.2-72.95.6000112F4 G6 T10 L11 L12 M89F4-N8 PolarHBondContact O-N 3.17Å; F4-N8 VanDerWaalsContact O-N 3.1Å; G6-N8 PolarHBondContact O-N 2.94Å; N8-T10 VanDerWaalsContact C-N 3.31Å; N8-T10 PolarHBondContact O-N 3.39Å; N8-L11 PolarHBondContact O-N 2.88Å; N8-L12 VanDerWaalsContact O-CB 3.26Å; N8-L12 WeakPolarHBondContact O-CB 3.48Å; N8-L12 PolarHBondContact O-N 2.85Å; N8-M89 WeakPolarHBondContact OD1-CE 3.24Å; N8-M89 WeakPolarHBondContact OD1-CG 3.26Å; N8-M89 PolarHBondContact OD1-SD 3.48Å
9R87.2Confident78.5Confident135 Ų13544.8 Ų44.851%0.50923%0.234SC..Hα-helixtrans-66.3-36.4-179.7-174.5178.2174.4-152.1-6.2111.4K5 G6 S7 T13 A58 E59K5-R9 WeakPolarHBondContact O-CB 3.23Å; K5-R9 PolarHBondContact O-N 3.18Å; G6-R9 PolarHBondContact O-N 2.92Å; S7-R9 PolarHBondContact O-N 3.43Å; R9-T13 VanDerWaalsContact O-CB 3.3Å; R9-T13 WeakPolarHBondContact O-CB 3.45Å; R9-T13 PolarHBondContact O-N 3.03Å; R9-T13 PolarHBondContact O-OG1 2.59Å; R9-A58 HydrophobicContact CB-CB 4.44Å; R9-A58 HydrophobicContact CG-CB 3.9Å; R9-E59 IonicContact CZ-OE1 3.35Å; R9-E59 IonicContact NH1-OE1 2.7Å; R9-E59 PolarHBondContact NH1-OE1 2.96Å; R9-E59 IonicContact NH2-OE1 3.65Å
10T89.1Confident78.6Confident3 Ų346.8 Ų46.82%0.01824%0.242CC..Hα-helixtrans-69.4-46.1178.6-52.70000110.4G6 S7 N8 L12 T13 W14 A58 L195 L197G6-T10 VanDerWaalsContact O-CB 3.28Å; G6-T10 WeakPolarHBondContact O-CB 3.43Å; G6-T10 PolarHBondContact O-N 2.88Å; G6-T10 PolarHBondContact O-OG1 2.75Å; S7-T10 PolarHBondContact O-N 2.93Å; N8-T10 VanDerWaalsContact C-N 3.31Å; N8-T10 PolarHBondContact O-N 3.39Å; T10-L12 PolarHBondContact O-N 3.5Å; T10-T13 PolarHBondContact O-N 3.33Å; T10-W14 WeakPolarHBondContact O-CB 3.16Å; T10-W14 PolarHBondContact O-N 2.88Å; T10-A58 PolarHBondContact OG1-N 3Å; T10-L195 HydrophobicContact CG2-CD2 4.35Å; T10-L197 HydrophobicContact CG2-CD2 3.57Å
11L92.4Very high78.7Confident0 Ų045.9 Ų45.90%024%0.239CC..Hα-helixtrans-61.3-43.6175.2-17464.3000111.6S7 N8 W14 L15 A76 L78 M89 V93 I176 L197S7-L11 WeakPolarHBondContact O-CB 3.37Å; S7-L11 PolarHBondContact O-N 3.47Å; N8-L11 PolarHBondContact O-N 2.88Å; L11-W14 HydrophobicContact CD1-CE3 3.95Å; L11-W14 HydrophobicContact CD1-CZ3 4.32Å; L11-W14 PolarHBondContact O-N 3.23Å; L11-L15 PolarHBondContact O-N 2.93Å; L11-A76 HydrophobicContact CD1-CB 3.93Å; L11-L78 HydrophobicContact CD1-CD2 4.3Å; L11-L78 HydrophobicContact CD2-CD1 4.04Å; L11-L78 HydrophobicContact CD2-CD2 4.24Å; L11-M89 HydrophobicContact CD2-CG 4.37Å; L11-V93 HydrophobicContact CD2-CB 4.13Å; L11-V93 HydrophobicContact CD2-CG1 4.35Å; L11-V93 HydrophobicContact CD2-CG2 4.15Å; L11-V93 HydrophobicContact CG-CB 4.49Å; L11-V93 HydrophobicContact CG-CG1 4.17Å; L11-I176 HydrophobicContact CD1-CD1 4.15Å; L11-I176 HydrophobicContact CD1-CG1 4.38Å; L11-L197 HydrophobicContact CB-CD1 3.76Å; L11-L197 HydrophobicContact CD1-CD1 4.07Å; L11-L197 HydrophobicContact CG-CD1 4.49Å
12L91.7Very high80.9Confident55 Ų5540.2 Ų40.229%0.28821%0.212SC..Hα-helixtrans-61.2-45.5175.3-177.773.5000111.3N8 T10 W14 L15 K16 V93 C97N8-L12 VanDerWaalsContact O-CB 3.26Å; N8-L12 WeakPolarHBondContact O-CB 3.48Å; N8-L12 PolarHBondContact O-N 2.85Å; T10-L12 PolarHBondContact O-N 3.5Å; L12-W14 VanDerWaalsContact C-N 3.35Å; L12-L15 PolarHBondContact O-N 3.2Å; L12-K16 WeakPolarHBondContact O-CB 3.46Å; L12-K16 VanDerWaalsContact O-CG 3.24Å; L12-K16 WeakPolarHBondContact O-CG 3.36Å; L12-K16 PolarHBondContact O-N 2.9Å; L12-V93 HydrophobicContact CB-CG1 3.92Å; L12-V93 HydrophobicContact CD1-CG1 3.85Å; L12-C97 WeakPolarHBondContact CD1-SG 3.45Å
13T89.8Confident82.7Confident28 Ų2838.1 Ų38.117%0.17219%0.19CC..Hα-helixtrans-63.1-44178.6-57.10000110.5R9 T10 K16 L17 L61R9-T13 VanDerWaalsContact O-CB 3.3Å; R9-T13 WeakPolarHBondContact O-CB 3.45Å; R9-T13 PolarHBondContact O-N 3.03Å; R9-T13 PolarHBondContact O-OG1 2.59Å; T10-T13 PolarHBondContact O-N 3.33Å; T13-K16 WeakPolarHBondContact O-CB 3.48Å; T13-K16 PolarHBondContact O-N 2.87Å; T13-L17 WeakPolarHBondContact O-CG 3.46Å; T13-L17 PolarHBondContact O-N 2.98Å; T13-L17 VanDerWaalsContact O-N 3.08Å; T13-L61 HydrophobicContact CG2-CD2 4.1Å
14W92.8Very high83.5Confident1 Ų139 Ų390%0.00421%0.206CC..Hα-helixtrans-61.7-46.2176.4173.980.1000112.4T10 L11 L12 K16 L17 W18 L61 F73 A76 P174 I175 I176 L195T10-W14 WeakPolarHBondContact O-CB 3.16Å; T10-W14 PolarHBondContact O-N 2.88Å; L11-W14 HydrophobicContact CD1-CE3 3.95Å; L11-W14 HydrophobicContact CD1-CZ3 4.32Å; L11-W14 PolarHBondContact O-N 3.23Å; L12-W14 VanDerWaalsContact C-N 3.35Å; W14-K16 PolarHBondContact O-N 2.82Å; W14-L17 WeakPolarHBondContact O-CB 2.86Å; W14-L17 PolarHBondContact O-N 2.91Å; W14-L17 VanDerWaalsContact O-N 3.1Å; W14-W18 AromaticContact CE2-NE1 3.53Å; W14-W18 AromaticContact CH2-NE1 3.78Å; W14-W18 AromaticContact CZ2-NE1 3.28Å; W14-W18 VanDerWaalsContact CZ2-NE1 3.28Å; W14-W18 AromaticContact NE1-NE1 3.94Å; W14-L61 HydrophobicContact CB-CD2 3.91Å; W14-F73 PolarHBondContact NE1-O 3.18Å; W14-A76 HydrophobicContact CD2-CB 4.02Å; W14-A76 HydrophobicContact CE3-CB 3.8Å; W14-A76 HydrophobicContact CH2-CB 3.81Å; W14-A76 HydrophobicContact CZ2-CB 4.02Å; W14-A76 HydrophobicContact CZ3-CB 3.7Å; W14-P174 HydrophobicContact CH2-CB 3.66Å; W14-P174 HydrophobicContact CZ2-CB 4.45Å; W14-P174 HydrophobicContact CZ3-CB 4.02Å; W14-I175 VanDerWaalsContact CH2-O 3.31Å; W14-I175 WeakPolarHBondContact CH2-O 3.48Å; W14-I176 HydrophobicContact CH2-CG1 4.21Å; W14-I176 HydrophobicContact CZ3-CD1 4.32Å; W14-I176 HydrophobicContact CZ3-CG1 3.73Å; W14-L195 HydrophobicContact CB-CD2 3.58Å; W14-L195 HydrophobicContact CD2-CD2 4.33Å; W14-L195 HydrophobicContact CG-CD2 3.52Å
15L91.9Very high84.2Confident0 Ų042.7 Ų42.70%022%0.222CC..Hα-helixtrans-61.9-32.9174.7-85.3171.9000112.4L11 L12 L17 W18 V93 A94 C97 Y99 P174 I176L11-L15 PolarHBondContact O-N 2.93Å; L12-L15 PolarHBondContact O-N 3.2Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-W18 WeakPolarHBondContact O-CB 3.39Å; L15-W18 PolarHBondContact O-N 2.9Å; L15-V93 HydrophobicContact CD1-CB 4.25Å; L15-V93 HydrophobicContact CD1-CG1 3.59Å; L15-A94 HydrophobicContact CD1-CB 4.34Å; L15-C97 HydrophobicContact CB-CB 4.49Å; L15-Y99 HydrophobicContact CD2-CD2 4.39Å; L15-Y99 HydrophobicContact CD2-CE2 4.07Å; L15-Y99 PolarHBondContact O-OH 3.09Å; L15-P174 HydrophobicContact CD2-CB 3.6Å; L15-P174 HydrophobicContact CD2-CG 3.63Å; L15-I176 HydrophobicContact CD1-CD1 4.1Å; L15-I176 HydrophobicContact CD2-CD1 4.49Å
16K89Confident84Confident70 Ų7045.4 Ų45.430%0.30423%0.234SC..Hα-helixtrans-70.6-26.5175.2-74.7-76.1156.9-157.10113.4L12 T13 W14 W18 D19L12-K16 WeakPolarHBondContact O-CB 3.46Å; L12-K16 VanDerWaalsContact O-CG 3.24Å; L12-K16 WeakPolarHBondContact O-CG 3.36Å; L12-K16 PolarHBondContact O-N 2.9Å; T13-K16 WeakPolarHBondContact O-CB 3.48Å; T13-K16 PolarHBondContact O-N 2.87Å; W14-K16 PolarHBondContact O-N 2.82Å; K16-W18 PolarHBondContact O-N 3.35Å; K16-D19 VanDerWaalsContact CD-OD2 3.32Å; K16-D19 WeakPolarHBondContact CD-OD2 3.33Å; K16-D19 IonicContact NZ-OD1 3.79Å; K16-D19 IonicContact NZ-OD2 2.86Å; K16-D19 PolarHBondContact NZ-OD2 3.29Å; K16-D19 VanDerWaalsContact O-CB 3.3Å; K16-D19 WeakPolarHBondContact O-CB 3.16Å; K16-D19 PolarHBondContact O-N 3.01Å
17L88.2Confident82.8Confident4 Ų447.9 Ų47.92%0.02124%0.241CC..Hα-helixtrans-65.8-24.7173.1-65.2175.5000112.1T13 W14 L15 D19 L61 R63 L65 P71T13-L17 WeakPolarHBondContact O-CG 3.46Å; T13-L17 PolarHBondContact O-N 2.98Å; T13-L17 VanDerWaalsContact O-N 3.08Å; W14-L17 WeakPolarHBondContact O-CB 2.86Å; W14-L17 PolarHBondContact O-N 2.91Å; W14-L17 VanDerWaalsContact O-N 3.1Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L17-D19 VanDerWaalsContact C-N 3.27Å; L17-D19 PolarHBondContact O-N 2.67Å; L17-L61 HydrophobicContact CD1-CD2 3.9Å; L17-L61 HydrophobicContact CD1-CG 4.25Å; L17-R63 HydrophobicContact CD2-CB 4.09Å; L17-R63 HydrophobicContact CD2-CG 4.27Å; L17-L65 HydrophobicContact CB-CD2 4.16Å; L17-L65 HydrophobicContact CD2-CD2 4.42Å; L17-P71 HydrophobicContact CB-CB 3.8Å; L17-P71 HydrophobicContact CB-CG 4.26Å; L17-P71 HydrophobicContact CD1-CB 3.97Å
18W90Very high81.1Confident0 Ų056.3 Ų56.30%028%0.276CS..THydrogen-bonded Turntrans-74.2-14.5172.4-73.795.4000113.5W14 L15 K16 H20 C21 V22 R70 P71 K74 Y99 L171 P174W14-W18 AromaticContact CE2-NE1 3.53Å; W14-W18 AromaticContact CH2-NE1 3.78Å; W14-W18 AromaticContact CZ2-NE1 3.28Å; W14-W18 VanDerWaalsContact CZ2-NE1 3.28Å; W14-W18 AromaticContact NE1-NE1 3.94Å; L15-W18 WeakPolarHBondContact O-CB 3.39Å; L15-W18 PolarHBondContact O-N 2.9Å; K16-W18 PolarHBondContact O-N 3.35Å; W18-H20 PolarHBondContact O-N 2.88Å; W18-C21 PolarHBondContact O-N 2.61Å; W18-C21 PolarHBondContact O-SG 3.03Å; W18-V22 HydrophobicContact CB-CG2 3.89Å; W18-V22 HydrophobicContact CE3-CG2 3.97Å; W18-V22 WeakPolarHBondContact O-CB 2.91Å; W18-V22 VanDerWaalsContact O-CG2 3.25Å; W18-V22 WeakPolarHBondContact O-CG2 3.26Å; W18-V22 PolarHBondContact O-N 3.47Å; W18-R70 HydrophobicContact CH2-CB 4.5Å; W18-R70 HydrophobicContact CZ3-CB 4.33Å; W18-R70 HydrophobicContact CZ3-CG 4.09Å; W18-P71 HydrophobicContact CD2-CG 3.95Å; W18-P71 VanDerWaalsContact CE2-CG 3.47Å; W18-P71 HydrophobicContact CG-CG 4.04Å; W18-P71 HydrophobicContact CZ2-CG 4Å; W18-P71 VanDerWaalsContact NE1-CG 3.26Å; W18-K74 HydrophobicContact CH2-CB 4.18Å; W18-K74 HydrophobicContact CZ2-CB 3.97Å; W18-K74 HydrophobicContact CZ2-CD 4.49Å; W18-K74 WeakPolarHBondContact CZ2-O 3.34Å; W18-Y99 VanDerWaalsContact CB-OH 3.22Å; W18-Y99 WeakPolarHBondContact CB-OH 3.21Å; W18-L171 HydrophobicContact CH2-CD2 4.42Å; W18-L171 HydrophobicContact CH2-CG 4.26Å; W18-P174 HydrophobicContact CD2-CB 4.14Å; W18-P174 HydrophobicContact CG-CB 4.05Å; W18-P174 HydrophobicContact CG-CG 4.41Å
19D86.4Confident78.9Confident14 Ų1464.1 Ų64.18%0.07530%0.301CS..Hα-helixtrans-58.7-30-173-8110.7000112.9K16 L17 F23 G24 K25K16-D19 VanDerWaalsContact CD-OD2 3.32Å; K16-D19 WeakPolarHBondContact CD-OD2 3.33Å; K16-D19 IonicContact NZ-OD1 3.79Å; K16-D19 IonicContact NZ-OD2 2.86Å; K16-D19 PolarHBondContact NZ-OD2 3.29Å; K16-D19 VanDerWaalsContact O-CB 3.3Å; K16-D19 WeakPolarHBondContact O-CB 3.16Å; K16-D19 PolarHBondContact O-N 3.01Å; L17-D19 VanDerWaalsContact C-N 3.27Å; L17-D19 PolarHBondContact O-N 2.67Å; D19-F23 HydrophobicContact CB-CD2 4.28Å; D19-F23 WeakPolarHBondContact O-CA 3.08Å; D19-F23 WeakPolarHBondContact O-CB 3.45Å; D19-F23 PolarHBondContact O-N 2.94Å; D19-G24 PolarHBondContact O-N 2.96Å; D19-K25 HydrophobicContact CB-CB 4.48Å; D19-K25 PolarHBondContact O-N 3.42Å
20H79.7Confident76.6Confident83 Ų8362 Ų6238%0.38430%0.304SS..Hα-helixtrans-67.8-51.4179.3-171.454.9000113W18 G24 K25 L65W18-H20 PolarHBondContact O-N 2.88Å; H20-G24 VanDerWaalsContact O-CA 3.26Å; H20-G24 WeakPolarHBondContact O-CA 3.3Å; H20-G24 PolarHBondContact O-N 3.41Å; H20-K25 VanDerWaalsContact CA-O 3.25Å; H20-K25 WeakPolarHBondContact CA-O 3.47Å; H20-K25 PolarHBondContact ND1-O 3.42Å; H20-L65 HydrophobicContact CB-CD1 4.16Å
21C81.2Confident74Confident28 Ų2864.8 Ų64.819%0.18933%0.333CS..Hα-helixtrans-80.9-24-178.555.50000113.5W18 G69 R70W18-C21 PolarHBondContact O-N 2.61Å; W18-C21 PolarHBondContact O-SG 3.03Å; C21-G69 WeakPolarHBondContact CB-O 3.28Å; C21-G69 PolarHBondContact SG-O 3.32Å; C21-G69 VanDerWaalsContact SG-O 3.35Å; C21-R70 HydrophobicContact CB-CG 4.17Å
22V84.5Confident71.1Confident20 Ų2070.1 Ų70.112%0.12137%0.366CS..Hα-helixtrans-91.1-51.9-177.5-179.30000111.9W18 Y99 P135 R172W18-V22 HydrophobicContact CB-CG2 3.89Å; W18-V22 HydrophobicContact CE3-CG2 3.97Å; W18-V22 WeakPolarHBondContact O-CB 2.91Å; W18-V22 VanDerWaalsContact O-CG2 3.25Å; W18-V22 WeakPolarHBondContact O-CG2 3.26Å; W18-V22 PolarHBondContact O-N 3.47Å; V22-Y99 HydrophobicContact CB-CE1 4.2Å; V22-Y99 HydrophobicContact CG1-CD1 4.38Å; V22-Y99 HydrophobicContact CG1-CE1 3.53Å; V22-Y99 HydrophobicContact CG2-CE1 4.14Å; V22-P135 HydrophobicContact CG1-CB 3.32Å; V22-P135 HydrophobicContact CG1-CG 3.31Å; V22-R172 WeakPolarHBondContact CG2-O 3.25Å
23F83.2Confident68.3Low63 Ų6371 Ų7128%0.27637%0.37SS..Hα-helixtrans-101.5-4.8-174.6-62.6-81.4000113.2D19 K25 Y99 P135D19-F23 HydrophobicContact CB-CD2 4.28Å; D19-F23 WeakPolarHBondContact O-CA 3.08Å; D19-F23 WeakPolarHBondContact O-CB 3.45Å; D19-F23 PolarHBondContact O-N 2.94Å; F23-K25 HydrophobicContact CB-CD 4.18Å; F23-K25 HydrophobicContact CB-CG 4.01Å; F23-K25 PolarHBondContact O-N 3.46Å; F23-Y99 HydrophobicContact CE2-CD1 4.42Å; F23-Y99 HydrophobicContact CE2-CD2 4.35Å; F23-Y99 AromaticContact CE2-CE1 3.88Å; F23-Y99 HydrophobicContact CE2-CE1 3.88Å; F23-Y99 AromaticContact CE2-CE2 3.78Å; F23-Y99 HydrophobicContact CE2-CE2 3.78Å; F23-Y99 AromaticContact CE2-CZ 3.5Å; F23-Y99 VanDerWaalsContact CE2-CZ 3.5Å; F23-Y99 HydrophobicContact CZ-CD1 4.28Å; F23-Y99 HydrophobicContact CZ-CD2 4.39Å; F23-Y99 HydrophobicContact CZ-CE1 4.17Å; F23-Y99 HydrophobicContact CZ-CE2 4.27Å; F23-Y99 HydrophobicContact CZ-CG 4.38Å; F23-P135 HydrophobicContact CD1-CG 3.81Å; F23-P135 HydrophobicContact CE1-CG 3.19Å; F23-P135 HydrophobicContact CE2-CG 4.12Å; F23-P135 HydrophobicContact CG-CG 4.5Å; F23-P135 HydrophobicContact CZ-CG 3.36Å
24G72Confident65.5Low61 Ų6176.1 Ų76.163%0.62940%0.396SS*.  trans69.811.4-175.600000113.9D19 H20D19-G24 PolarHBondContact O-N 2.96Å; H20-G24 VanDerWaalsContact O-CA 3.26Å; H20-G24 WeakPolarHBondContact O-CA 3.3Å; H20-G24 PolarHBondContact O-N 3.41Å
25K68.8Low62.5Low115 Ų11582.3 Ų82.350%0.543%0.429SS..  trans-74135-179.8-68.3178.2-179172.60109.4D19 H20 F23 L27D19-K25 HydrophobicContact CB-CB 4.48Å; D19-K25 PolarHBondContact O-N 3.42Å; H20-K25 VanDerWaalsContact CA-O 3.25Å; H20-K25 WeakPolarHBondContact CA-O 3.47Å; H20-K25 PolarHBondContact ND1-O 3.42Å; F23-K25 HydrophobicContact CB-CD 4.18Å; F23-K25 HydrophobicContact CB-CG 4.01Å; F23-K25 PolarHBondContact O-N 3.46Å; K25-L27 PolarHBondContact O-N 3.05Å
26K57Low59.5Low188 Ų18890 Ų9082%0.81746%0.463SS*.  trans-64.7132.6163.3-68.1-176.1-179.3179.20107.2K28K26-K28 PolarHBondContact O-N 3.12Å
27L53.2Low56.6Low77 Ų7792.1 Ų92.140%0.40348%0.477SS..  trans-54.7113.3175.1-163.978.9000106.8K25 R29K25-L27 PolarHBondContact O-N 3.05Å; L27-R29 PolarHBondContact O-N 3.14Å
28K46.7Very low53.6Low185 Ų185101.8 Ų101.880%0.80452%0.518SS*.  trans-57.1116.1169.2-72.2-172178.3-1740104K26 T30K26-K28 PolarHBondContact O-N 3.12Å; K28-T30 PolarHBondContact O-N 3.48Å
29R42.1Very low50.8Low216 Ų216107.5 Ų107.582%0.81555%0.553SS**  trans-61.782.7165.2-72.9173.498.7151.52.1104.6L27 G31L27-R29 PolarHBondContact O-N 3.14Å; R29-G31 PolarHBondContact O-N 3.41Å
30T39.3Very low48.1Very low91 Ų91114.6 Ų114.656%0.55859%0.586SS**  trans-54.7130.3170.535.70000105.5K28K28-T30 PolarHBondContact O-N 3.48Å
31G33.6Very low45.7Very low61 Ų61116.7 Ų116.763%0.62961%0.61SS**SBendtrans-50.1161.8-158.600000115.6R29R29-G31 PolarHBondContact O-N 3.41Å
32T31.6Very low43Very low113 Ų113123.3 Ų123.369%0.69364%0.635SS**  trans59.954.5164.742.80000115.7N34T32-N34 VanDerWaalsContact C-N 3.34Å
33I33.8Very low40.4Very low74 Ų74128.2 Ų128.238%0.37967%0.668SS.*  trans-80.7-16.8157.3-67.5176.8000111.5D35 F36 I37I33-D35 PolarHBondContact O-N 2.89Å; I33-F36 PolarHBondContact O-N 2.84Å; I33-I37 HydrophobicContact CG2-CD1 3.53Å; I33-I37 HydrophobicContact CG2-CG1 3.69Å; I33-I37 WeakPolarHBondContact O-CG1 3.43Å; I33-I37 PolarHBondContact O-N 3.3Å
34N29.5Very low38.2Very low135 Ų135131.5 Ų131.572%0.72269%0.687SS**THydrogen-bonded Turntrans-64.7-21.4-179.2-82.46.5000114T32T32-N34 VanDerWaalsContact C-N 3.34Å
35D30.2Very low36.3Very low130 Ų130137.3 Ų137.370%0.69570%0.698SS**THydrogen-bonded Turntrans-88.9-7.9179.7-65.6-22.2000114.3I33I33-D35 PolarHBondContact O-N 2.89Å
36F29.2Very low34.5Very low163 Ų163135 Ų13572%0.71569%0.691SS**THydrogen-bonded Turntrans-114.4-6.1178.5-68.9-79.1000114.5I33 K38 V39I33-F36 PolarHBondContact O-N 2.84Å; F36-K38 PolarHBondContact O-N 2.83Å; F36-K38 VanDerWaalsContact O-N 3.12Å; F36-V39 PolarHBondContact O-N 3.31Å
37I29.2Very low33.5Very low114 Ų114129.5 Ų129.559%0.58568%0.676SS**THydrogen-bonded Turntrans-67.4-8.7178.2-77.5173.9000113.5I33 V39I33-I37 HydrophobicContact CG2-CD1 3.53Å; I33-I37 HydrophobicContact CG2-CG1 3.69Å; I33-I37 WeakPolarHBondContact O-CG1 3.43Å; I33-I37 PolarHBondContact O-N 3.3Å; I37-V39 PolarHBondContact O-N 3.13Å
38K25.3Very low33Very low206 Ų206131.5 Ų131.590%0.89668%0.679SS**THydrogen-bonded Turntrans-76.7-1.4173.6-93.6-174.6177.5179.30115.4F36 Q40F36-K38 PolarHBondContact O-N 2.83Å; F36-K38 VanDerWaalsContact O-N 3.12Å; K38-Q40 PolarHBondContact O-N 3.07Å; K38-Q40 VanDerWaalsContact O-N 3.13Å
39V30.4Very low32.6Very low120 Ų120129.5 Ų129.573%0.72767%0.673SS**SBendtrans-87.387.5172.3-171.50000109.8F36 I37F36-V39 PolarHBondContact O-N 3.31Å; I37-V39 PolarHBondContact O-N 3.13Å
40Q29.2Very low32.4Very low164 Ų164124.2 Ų124.277%0.76666%0.66SS**  trans33.9103.6151.1-66.6-179.4-3.300116.8K38 K42K38-Q40 PolarHBondContact O-N 3.07Å; K38-Q40 VanDerWaalsContact O-N 3.13Å; Q40-K42 VanDerWaalsContact C-N 3.28Å; Q40-K42 PolarHBondContact O-N 3.43Å
41S29.4Very low32.8Very low127 Ų127124.9 Ų124.989%0.88865%0.653SS**  trans-48.785.6154.346.20000112.2
42K25.6Very low33.4Very low166 Ų166130.2 Ų130.272%0.72265%0.654SS**  trans-130117.9151.1-86.2-176.5176.5176.70107.2Q40 L44Q40-K42 VanDerWaalsContact C-N 3.28Å; Q40-K42 PolarHBondContact O-N 3.43Å; K42-L44 PolarHBondContact O-N 2.83Å
43P29.5Very low34.2Very low124 Ų124133 Ų13381%0.80566%0.659SS**  trans-59.3108.5167.124.9-28.6000105.7H45P43-H45 PolarHBondContact O-N 3.14Å
44L36.6Very low35.1Very low131 Ų131136.6 Ų136.669%0.68667%0.674SS**  trans-66.978.7172.3-102.986.7000106.9K42 L46K42-L44 PolarHBondContact O-N 2.83Å; L44-L46 HydrophobicContact CB-CD1 3.98Å; L44-L46 HydrophobicContact CD2-CD1 3.43Å; L44-L46 VanDerWaalsContact CD2-CD1 3.43Å; L44-L46 HydrophobicContact CD2-CD2 4.28Å; L44-L46 HydrophobicContact CD2-CG 4.38Å; L44-L46 HydrophobicContact CG-CD1 3.53Å; L44-L46 PolarHBondContact O-N 3.08Å
45H33.2Very low36.7Very low184 Ų184136.8 Ų136.885%0.85267%0.67SS**  trans-72.859.7159.2-161.272.1000106.8P43 S47P43-H45 PolarHBondContact O-N 3.14Å; H45-S47 PolarHBondContact O-N 3.13Å
46L30.2Very low38.6Very low67 Ų67132.6 Ų132.635%0.35165%0.647SS.*  trans-69.3116.7170.8-106.869.3000106.1L44 Y48 N50L44-L46 HydrophobicContact CB-CD1 3.98Å; L44-L46 HydrophobicContact CD2-CD1 3.43Å; L44-L46 VanDerWaalsContact CD2-CD1 3.43Å; L44-L46 HydrophobicContact CD2-CD2 4.28Å; L44-L46 HydrophobicContact CD2-CG 4.38Å; L44-L46 HydrophobicContact CG-CD1 3.53Å; L44-L46 PolarHBondContact O-N 3.08Å; L46-Y48 PolarHBondContact O-N 2.81Å; L46-N50 HydrophobicContact CD2-CB 3.97Å; L46-N50 HydrophobicContact CG-CB 4.43Å
47S35.9Very low40.6Very low72 Ų72127.1 Ų127.150%0.50363%0.628SS.*  trans-43.3135.8165.749.80000109.3H45 E49 N50H45-S47 PolarHBondContact O-N 3.13Å; S47-E49 PolarHBondContact O-N 3.42Å; S47-N50 PolarHBondContact O-N 3.05Å
48Y41.9Very low42.3Very low118 Ų118121.8 Ų121.846%0.46360%0.601SS.*G310 helixtrans-51-26.8-172.9-168.6-106.8000114.1L46 N50 R51 R192L46-Y48 PolarHBondContact O-N 2.81Å; Y48-N50 VanDerWaalsContact C-N 3.33Å; Y48-N50 PolarHBondContact O-N 3.34Å; Y48-R51 PolarHBondContact O-N 3.31Å; Y48-R192 HydrophobicContact CE1-CB 4.39Å; Y48-R192 HydrophobicContact CE1-CG 3.79Å; Y48-R192 WeakPolarHBondContact CE2-O 3.47Å; Y48-R192 WeakPolarHBondContact OH-CA 3.34Å; Y48-R192 WeakPolarHBondContact OH-CB 3.47Å; Y48-R192 WeakPolarHBondContact OH-CG 3.42Å; Y48-R192 PolarHBondContact OH-O 3.34Å
49E38.7Very low44.4Very low144 Ų144117.5 Ų117.567%0.67358%0.584SS**G310 helixtrans-67-29-179.6-60.1-155.2131.900113.9S47 R51S47-E49 PolarHBondContact O-N 3.42Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 3.48Å
50N38.7Very low46.4Very low105 Ų105116.2 Ų116.256%0.56158%0.576SS**G310 helixtrans-79.7-9.1-179.2-79.1-12.8000114.1L46 S47 Y48 R52L46-N50 HydrophobicContact CD2-CB 3.97Å; L46-N50 HydrophobicContact CG-CB 4.43Å; S47-N50 PolarHBondContact O-N 3.05Å; Y48-N50 VanDerWaalsContact C-N 3.33Å; Y48-N50 PolarHBondContact O-N 3.34Å; N50-R52 VanDerWaalsContact C-N 3.28Å; N50-R52 PolarHBondContact O-N 2.94Å
51R46.4Very low48.7Very low104 Ų104108.7 Ų108.739%0.39254%0.541SS..G310 helixtrans-77.5-6.9177.5-73.5-170.5-171.5-170.91.1114.1Y48 E49 H53 E72 F73Y48-R51 PolarHBondContact O-N 3.31Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 3.48Å; R51-H53 PolarHBondContact O-N 3.27Å; R51-E72 IonicContact CZ-OE1 3.37Å; R51-E72 IonicContact NH1-OE1 2.87Å; R51-E72 PolarHBondContact NH1-OE1 3.08Å; R51-E72 IonicContact NH2-OE1 2.91Å; R51-E72 PolarHBondContact NH2-OE1 2.85Å; R51-F73 VanDerWaalsContact NH1-CZ 3.34Å
52R46.1Very low50.9Low173 Ų173105.4 Ų105.465%0.65351%0.514SS*.G310 helixtrans-57.6-16.5-168.2-78.7-168.7-178.6-178.48.1115.7N50N50-R52 VanDerWaalsContact C-N 3.28Å; N50-R52 PolarHBondContact O-N 2.94Å
53H48.5Very low53.3Low173 Ų173102.3 Ų102.380%0.80150%0.497SS*.G310 helixtrans-139.81.1-173.6-65.981.5000115.9R51 E55R51-H53 PolarHBondContact O-N 3.27Å; H53-E55 PolarHBondContact O-N 3.21Å
54Q53.4Low55.5Low149 Ų149103.2 Ų103.270%0.69649%0.491SS*.  trans-86.4106.6176.4-76.9-176.4-1.900109.5I56Q54-I56 PolarHBondContact O-N 3.21Å; Q54-I56 VanDerWaalsContact O-N 3.15Å
55E62.4Low57.7Low138 Ų13899.6 Ų99.665%0.64547%0.472SS*.  trans-56116.9168.4-72-173.7164.900109.2H53 T57H53-E55 PolarHBondContact O-N 3.21Å; E55-T57 PolarHBondContact O-N 3.04Å
56I70.7Confident59.9Low42 Ų4293.1 Ų93.122%0.21544%0.444CS..  trans-76113.1177-58.2176000107.6Q54 L61 F73 L195Q54-I56 PolarHBondContact O-N 3.21Å; Q54-I56 VanDerWaalsContact O-N 3.15Å; I56-L61 HydrophobicContact CG2-CB 4.03Å; I56-L61 HydrophobicContact CG2-CD1 3.76Å; I56-F73 HydrophobicContact CD1-CE2 3.51Å; I56-F73 HydrophobicContact CD1-CZ 3.54Å; I56-L195 HydrophobicContact CB-CD1 3.69Å; I56-L195 HydrophobicContact CD1-CD1 3.88Å; I56-L195 HydrophobicContact CG1-CD1 4.35Å; I56-L195 HydrophobicContact CG2-CD1 3.66Å
57T71.5Confident62.2Low49 Ų4994.8 Ų94.830%0.30147%0.467SS..  trans-91.8167.5173.575.90000111.8E55 E59 T60 L61E55-T57 PolarHBondContact O-N 3.04Å; T57-E59 VanDerWaalsContact CB-OE2 3.31Å; T57-E59 WeakPolarHBondContact CB-OE2 3.49Å; T57-E59 PolarHBondContact O-N 3.33Å; T57-E59 PolarHBondContact OG1-N 3.26Å; T57-E59 PolarHBondContact OG1-OE2 3.27Å; T57-T60 PolarHBondContact N-OG1 3.06Å; T57-T60 PolarHBondContact O-N 3.29Å; T57-T60 VanDerWaalsContact O-N 3.15Å; T57-T60 PolarHBondContact O-OG1 3.14Å; T57-T60 VanDerWaalsContact O-OG1 3.14Å; T57-T60 PolarHBondContact OG1-N 2.89Å; T57-T60 PolarHBondContact OG1-OG1 3.48Å; T57-T60 VanDerWaalsContact OG1-OG1 3.08Å; T57-L61 WeakPolarHBondContact O-CB 3.26Å; T57-L61 PolarHBondContact O-N 3.24Å
58A64.3Low64.2Low2 Ų296.4 Ų96.42%0.01747%0.467CS..THydrogen-bonded Turntrans-59-28176.400000113.8R9 T10R9-A58 HydrophobicContact CB-CB 4.44Å; R9-A58 HydrophobicContact CG-CB 3.9Å; T10-A58 PolarHBondContact OG1-N 3Å
59E70.2Confident66Low116 Ų11691.1 Ų91.154%0.54245%0.448SS..THydrogen-bonded Turntrans-78.2-38.7176.9-6075.2-158.500112R9 T57R9-E59 IonicContact CZ-OE1 3.35Å; R9-E59 IonicContact NH1-OE1 2.7Å; R9-E59 PolarHBondContact NH1-OE1 2.96Å; R9-E59 IonicContact NH2-OE1 3.65Å; T57-E59 VanDerWaalsContact CB-OE2 3.31Å; T57-E59 WeakPolarHBondContact CB-OE2 3.49Å; T57-E59 PolarHBondContact O-N 3.33Å; T57-E59 PolarHBondContact OG1-N 3.26Å; T57-E59 PolarHBondContact OG1-OE2 3.27Å
60T72.3Confident68.2Low93 Ų9385.4 Ų85.457%0.57142%0.421SS*.THydrogen-bonded Turntrans-87.5-15.8-178.254.90000112.9T57 N62T57-T60 PolarHBondContact N-OG1 3.06Å; T57-T60 PolarHBondContact O-N 3.29Å; T57-T60 VanDerWaalsContact O-N 3.15Å; T57-T60 PolarHBondContact O-OG1 3.14Å; T57-T60 VanDerWaalsContact O-OG1 3.14Å; T57-T60 PolarHBondContact OG1-N 2.89Å; T57-T60 PolarHBondContact OG1-OG1 3.48Å; T57-T60 VanDerWaalsContact OG1-OG1 3.08Å; T60-N62 PolarHBondContact O-N 3.29Å; T60-N62 VanDerWaalsContact O-N 3.13Å
61L78Confident70.5Confident6 Ų680.5 Ų80.53%0.03139%0.394CS..SBendtrans-58.4117.6178.2-176.767000110.2T13 W14 L17 I56 T57 R63 F73 L195T13-L61 HydrophobicContact CG2-CD2 4.1Å; W14-L61 HydrophobicContact CB-CD2 3.91Å; L17-L61 HydrophobicContact CD1-CD2 3.9Å; L17-L61 HydrophobicContact CD1-CG 4.25Å; I56-L61 HydrophobicContact CG2-CB 4.03Å; I56-L61 HydrophobicContact CG2-CD1 3.76Å; T57-L61 WeakPolarHBondContact O-CB 3.26Å; T57-L61 PolarHBondContact O-N 3.24Å; L61-R63 WeakPolarHBondContact O-CG 3.42Å; L61-R63 PolarHBondContact O-N 2.98Å; L61-R63 VanDerWaalsContact O-N 3.09Å; L61-F73 HydrophobicContact CD1-CD2 4.34Å; L61-L195 HydrophobicContact CD1-CD1 3.92Å; L61-L195 HydrophobicContact CD1-CD2 4Å
62N74.2Confident72.4Confident58 Ų5879 Ų7931%0.3139%0.392SS..  trans-59.4115.8178.1-172.46.1000110.3T60 Q64 E72T60-N62 PolarHBondContact O-N 3.29Å; T60-N62 VanDerWaalsContact O-N 3.13Å; N62-Q64 VanDerWaalsContact C-N 3.3Å; N62-Q64 VanDerWaalsContact OD1-CB 3.23Å; N62-Q64 WeakPolarHBondContact OD1-CB 3.4Å; N62-Q64 VanDerWaalsContact OD1-CG 3.27Å; N62-Q64 WeakPolarHBondContact OD1-CG 3.41Å; N62-Q64 PolarHBondContact OD1-N 3.41Å; N62-E72 PolarHBondContact ND2-OE2 3.13Å
63R77.3Confident74.5Confident100 Ų10071.6 Ų71.638%0.37737%0.365SS..  trans-87.5-0.9178.5-57.4-172.4-176.7177.63112.7L17 L61L17-R63 HydrophobicContact CD2-CB 4.09Å; L17-R63 HydrophobicContact CD2-CG 4.27Å; L61-R63 WeakPolarHBondContact O-CG 3.42Å; L61-R63 PolarHBondContact O-N 2.98Å; L61-R63 VanDerWaalsContact O-N 3.09Å
64Q75.7Confident76.4Confident144 Ų14464.3 Ų64.367%0.67333%0.331SS*.  trans-66.5133.3172.5-65.4179.4-3.100109.6N62N62-Q64 VanDerWaalsContact C-N 3.3Å; N62-Q64 VanDerWaalsContact OD1-CB 3.23Å; N62-Q64 WeakPolarHBondContact OD1-CB 3.4Å; N62-Q64 VanDerWaalsContact OD1-CG 3.27Å; N62-Q64 WeakPolarHBondContact OD1-CG 3.41Å; N62-Q64 PolarHBondContact OD1-N 3.41Å
65L81.2Confident78.3Confident55 Ų5557.2 Ų57.229%0.28830%0.297SS..BIsolated β-bridgetrans-100.1149.8176.7-56.3177.5000108.8L17 H20 R70L17-L65 HydrophobicContact CB-CD2 4.16Å; L17-L65 HydrophobicContact CD2-CD2 4.42Å; H20-L65 HydrophobicContact CB-CD1 4.16Å; L65-R70 WeakPolarHBondContact CA-O 3.34Å
66D81.4Confident79.9Confident47 Ų4750.7 Ų50.725%0.25127%0.267SS..  trans-69177.3171.669.814.2000111.8H68 G69 R70 K74D66-H68 PolarHBondContact O-N 2.93Å; D66-H68 WeakPolarHBondContact OD1-CA 3.49Å; D66-H68 WeakPolarHBondContact OD1-CB 3.23Å; D66-H68 PolarHBondContact OD1-N 2.98Å; D66-G69 PolarHBondContact O-N 3.41Å; D66-G69 PolarHBondContact OD1-N 2.95Å; D66-R70 PolarHBondContact N-O 3.15Å; D66-R70 WeakPolarHBondContact OD1-CB 3.28Å; D66-R70 PolarHBondContact OD1-N 3.33Å; D66-R70 IonicContact OD1-NE 2.96Å; D66-R70 IonicContact OD2-CZ 3.52Å; D66-R70 VanDerWaalsContact OD2-CZ 3.27Å; D66-R70 IonicContact OD2-NE 3.93Å; D66-R70 PolarHBondContact OD2-NE 2.98Å; D66-R70 IonicContact OD2-NH2 2.84Å; D66-R70 PolarHBondContact OD2-NH2 3.19Å; D66-K74 VanDerWaalsContact OD2-CE 3.26Å; D66-K74 WeakPolarHBondContact OD2-CE 3.42Å; D66-K74 IonicContact OD2-NZ 2.9Å; D66-K74 PolarHBondContact OD2-NZ 3.26Å
67A78.3Confident81.1Confident103 Ų10348.7 Ų48.785%0.85126%0.257SS*.THydrogen-bonded Turntrans-56.7-15.1178.700000114.3
68H77.5Confident82.2Confident105 Ų10546.3 Ų46.349%0.48624%0.242SC..THydrogen-bonded Turntrans-105.29.8178.1-56.6-60.3000112.9D66 R70D66-H68 PolarHBondContact O-N 2.93Å; D66-H68 WeakPolarHBondContact OD1-CA 3.49Å; D66-H68 WeakPolarHBondContact OD1-CB 3.23Å; D66-H68 PolarHBondContact OD1-N 2.98Å; H68-R70 HydrophobicContact CB-CG 4.28Å
69G79.8Confident83.6Confident8 Ų846.3 Ų46.38%0.08224%0.242CC..SBendtrans74.124.2178.600000113.9C21 D66C21-G69 WeakPolarHBondContact CB-O 3.28Å; C21-G69 PolarHBondContact SG-O 3.32Å; C21-G69 VanDerWaalsContact SG-O 3.35Å; D66-G69 PolarHBondContact O-N 3.41Å; D66-G69 PolarHBondContact OD1-N 2.95Å
70R84.7Confident84.5Confident23 Ų2341 Ų419%0.08722%0.219CC..  trans-105.7146.1-179-53.1173.9-62.3175.12.9110.9W18 C21 L65 D66 H68 K74 L171W18-R70 HydrophobicContact CH2-CB 4.5Å; W18-R70 HydrophobicContact CZ3-CB 4.33Å; W18-R70 HydrophobicContact CZ3-CG 4.09Å; C21-R70 HydrophobicContact CB-CG 4.17Å; L65-R70 WeakPolarHBondContact CA-O 3.34Å; D66-R70 PolarHBondContact N-O 3.15Å; D66-R70 WeakPolarHBondContact OD1-CB 3.28Å; D66-R70 PolarHBondContact OD1-N 3.33Å; D66-R70 IonicContact OD1-NE 2.96Å; D66-R70 IonicContact OD2-CZ 3.52Å; D66-R70 VanDerWaalsContact OD2-CZ 3.27Å; D66-R70 IonicContact OD2-NE 3.93Å; D66-R70 PolarHBondContact OD2-NE 2.98Å; D66-R70 IonicContact OD2-NH2 2.84Å; D66-R70 PolarHBondContact OD2-NH2 3.19Å; H68-R70 HydrophobicContact CB-CG 4.28Å; R70-K74 HydrophobicContact CB-CD 4.26Å; R70-L171 WeakPolarHBondContact CD-O 3.33Å; R70-L171 PolarHBondContact NH1-O 3.1Å
71P87.1Confident85.4Confident2 Ų239 Ų391%0.01321%0.207CC..BIsolated β-bridgetrans-60.6151.5176.823.6-32.2000111.6L17 W18 F73 K74L17-P71 HydrophobicContact CB-CB 3.8Å; L17-P71 HydrophobicContact CB-CG 4.26Å; L17-P71 HydrophobicContact CD1-CB 3.97Å; W18-P71 HydrophobicContact CD2-CG 3.95Å; W18-P71 VanDerWaalsContact CE2-CG 3.47Å; W18-P71 HydrophobicContact CG-CG 4.04Å; W18-P71 HydrophobicContact CZ2-CG 4Å; W18-P71 VanDerWaalsContact NE1-CG 3.26Å; P71-F73 PolarHBondContact O-N 3.15Å; P71-K74 WeakPolarHBondContact O-CD 3.45Å; P71-K74 WeakPolarHBondContact O-CE 3.41Å; P71-K74 PolarHBondContact O-NZ 3.32Å
72E85.9Confident85.9Confident72 Ų7241.4 Ų41.434%0.33622%0.223SC..SBendtrans-46.4-55.5177.6-176.5179.815900112.2R51 N62 K74R51-E72 IonicContact CZ-OE1 3.37Å; R51-E72 IonicContact NH1-OE1 2.87Å; R51-E72 PolarHBondContact NH1-OE1 3.08Å; R51-E72 IonicContact NH2-OE1 2.91Å; R51-E72 PolarHBondContact NH2-OE1 2.85Å; N62-E72 PolarHBondContact ND2-OE2 3.13Å; E72-K74 PolarHBondContact O-NZ 3.1Å
73F89.6Confident86.6Confident19 Ų1939 Ų398%0.08321%0.212CC..  trans-82.8118.9174-58.3-72.4000110.8W14 R51 I56 L61 P71 I193 L195W14-F73 PolarHBondContact NE1-O 3.18Å; R51-F73 VanDerWaalsContact NH1-CZ 3.34Å; I56-F73 HydrophobicContact CD1-CE2 3.51Å; I56-F73 HydrophobicContact CD1-CZ 3.54Å; L61-F73 HydrophobicContact CD1-CD2 4.34Å; P71-F73 PolarHBondContact O-N 3.15Å; F73-I193 WeakPolarHBondContact CD1-O 3.18Å; F73-L195 HydrophobicContact CB-CB 3.87Å; F73-L195 HydrophobicContact CD2-CB 4.15Å; F73-L195 HydrophobicContact CD2-CD1 4.37Å; F73-L195 HydrophobicContact CG-CB 3.99Å
74K89.5Confident87.3Confident20 Ų2034.4 Ų34.49%0.08720%0.195CC..SBendtrans-88.8-13.1-178.9-45.4-34.7-166.5-144.70113.5W18 D66 R70 P71 E72 A158 L171W18-K74 HydrophobicContact CH2-CB 4.18Å; W18-K74 HydrophobicContact CZ2-CB 3.97Å; W18-K74 HydrophobicContact CZ2-CD 4.49Å; W18-K74 WeakPolarHBondContact CZ2-O 3.34Å; D66-K74 VanDerWaalsContact OD2-CE 3.26Å; D66-K74 WeakPolarHBondContact OD2-CE 3.42Å; D66-K74 IonicContact OD2-NZ 2.9Å; D66-K74 PolarHBondContact OD2-NZ 3.26Å; R70-K74 HydrophobicContact CB-CD 4.26Å; P71-K74 WeakPolarHBondContact O-CD 3.45Å; P71-K74 WeakPolarHBondContact O-CE 3.41Å; P71-K74 PolarHBondContact O-NZ 3.32Å; E72-K74 PolarHBondContact O-NZ 3.1Å; K74-A158 HydrophobicContact CB-CB 4.5Å; K74-L171 HydrophobicContact CB-CD2 3.85Å
75V93.5Very high88.1Confident0 Ų028.6 Ų28.60%017%0.174CC..EExtended strand (participates in β ladder)trans-127.6139179.7-1760000108A158 I175 C177 L190 A194 L195V75-A158 HydrophobicContact CG2-CB 3.72Å; V75-I175 WeakPolarHBondContact CA-O 3.28Å; V75-I175 HydrophobicContact CG1-CB 4.36Å; V75-I175 HydrophobicContact CG1-CG2 4.28Å; V75-I175 HydrophobicContact CG2-CB 4.26Å; V75-C177 HydrophobicContact CG1-CB 4.49Å; V75-L190 HydrophobicContact CG1-CD1 4.28Å; V75-A194 HydrophobicContact CB-CB 4.24Å; V75-A194 HydrophobicContact CG1-CB 4.38Å; V75-A194 CarbonylContact O-C 3.57Å; V75-A194 VanDerWaalsContact O-CA 3.28Å; V75-A194 WeakPolarHBondContact O-CA 3.42Å; V75-L195 PolarHBondContact O-N 3.03Å
76A95.1Very high88.7Confident0 Ų026.4 Ų26.40%016%0.162CC..EExtended strand (participates in β ladder)trans-102.9140.7166.200000109.2L11 W14 I175 I176 C177 L195L11-A76 HydrophobicContact CD1-CB 3.93Å; W14-A76 HydrophobicContact CD2-CB 4.02Å; W14-A76 HydrophobicContact CE3-CB 3.8Å; W14-A76 HydrophobicContact CH2-CB 3.81Å; W14-A76 HydrophobicContact CZ2-CB 4.02Å; W14-A76 HydrophobicContact CZ3-CB 3.7Å; A76-I175 PolarHBondContact N-O 2.87Å; A76-I176 CarbonylContact O-C 3.55Å; A76-I176 WeakPolarHBondContact O-CA 3.38Å; A76-C177 PolarHBondContact O-N 2.92Å; A76-L195 CarbonylContact C-O 3.6Å; A76-L195 WeakPolarHBondContact CA-O 3.37Å; A76-L195 HydrophobicContact CB-CB 4.48Å
77L95.6Very high89.3Confident0 Ų025.8 Ų25.80%016%0.16CC..EExtended strand (participates in β ladder)trans-120109.3177.7-178.263.6000109.1I143 C177 L182 L190 R191 A194 L195 V196 L197L77-I143 HydrophobicContact CD1-CG2 3.93Å; L77-C177 CarbonylContact C-O 3.59Å; L77-C177 WeakPolarHBondContact CA-O 3.39Å; L77-C177 HydrophobicContact CD1-CB 3.59Å; L77-L182 HydrophobicContact CD2-CD1 3.57Å; L77-L182 HydrophobicContact CG-CD1 4.28Å; L77-L190 HydrophobicContact CD1-CD2 4.34Å; L77-R191 HydrophobicContact CD2-CG 3.73Å; L77-A194 HydrophobicContact CB-CB 3.99Å; L77-L195 PolarHBondContact N-O 3.38Å; L77-V196 HydrophobicContact CB-CG2 4.49Å; L77-V196 HydrophobicContact CD2-CG2 4.36Å; L77-V196 WeakPolarHBondContact O-CA 3.48Å; L77-L197 PolarHBondContact O-N 3.27Å
78L95.3Very high90.1Very high0 Ų024.8 Ų24.80%014%0.143CC..EExtended strand (participates in β ladder)trans-87.9128175-58.5-174.4000109.5L11 A90 I176 C177 I178 C179 L197L11-L78 HydrophobicContact CD1-CD2 4.3Å; L11-L78 HydrophobicContact CD2-CD1 4.04Å; L11-L78 HydrophobicContact CD2-CD2 4.24Å; L78-A90 HydrophobicContact CD1-CB 3.92Å; L78-I176 HydrophobicContact CD1-CG2 3.93Å; L78-I176 HydrophobicContact CG-CG2 3.96Å; L78-C177 PolarHBondContact N-O 2.94Å; L78-I178 HydrophobicContact CB-CG1 4.32Å; L78-I178 HydrophobicContact CD1-CG1 4.35Å; L78-I178 WeakPolarHBondContact O-CA 3.22Å; L78-C179 PolarHBondContact O-N 2.71Å; L78-C179 PolarHBondContact O-SG 3.17Å; L78-C179 VanDerWaalsContact O-SG 3.37Å; L78-L197 WeakPolarHBondContact CA-O 3.42Å; L78-L197 HydrophobicContact CD2-CB 3.76Å; L78-L197 HydrophobicContact CD2-CD1 3.82Å; L78-L197 HydrophobicContact CD2-CG 4.28Å
79S92.8Very high90.9Very high2 Ų220 Ų201%0.01412%0.121CC..EExtended strand (participates in β ladder)trans-127.9150.6177.264.60000111.2C179 L197 H198 V199S79-C179 WeakPolarHBondContact CA-O 3.29Å; S79-L197 PolarHBondContact N-O 3.4Å; S79-L197 PolarHBondContact OG-O 2.67Å; S79-H198 CarbonylContact O-C 3.59Å; S79-V199 PolarHBondContact O-N 3.39Å
80G90.6Very high91.7Very high5 Ų519.6 Ų19.65%0.05212%0.117CC..  trans156170.5174.100000112.2K86G80-K86 WeakPolarHBondContact O-CE 3.31Å; G80-K86 PolarHBondContact O-NZ 2.87Å
81P89.6Confident92.3Very high50 Ų5019.9 Ų19.933%0.32512%0.119SC..  trans-52.3154.3-179.5-27.233.7000114I84 K86 P201P81-I84 HydrophobicContact CB-CG2 4.08Å; P81-I84 VanDerWaalsContact O-CD1 3.28Å; P81-I84 WeakPolarHBondContact O-CD1 3.26Å; P81-I84 VanDerWaalsContact O-CG1 3.27Å; P81-I84 WeakPolarHBondContact O-CG1 3.39Å; P81-K86 PolarHBondContact O-NZ 3.41Å; P81-P201 HydrophobicContact CG-CB 4.44Å
82P89.4Confident92.7Very high57 Ų5725.2 Ų25.237%0.3715%0.145SC..THydrogen-bonded Turntrans-60.3156.3174.226.9-34.3000111.7I84P82-I84 PolarHBondContact O-N 2.64Å
83G89.9Confident93.1Very high7 Ų722.4 Ų22.47%0.07213%0.133CC..THydrogen-bonded Turntrans68.4-0.317200000117.6G85 D237 I238 R239G83-G85 PolarHBondContact O-N 3.24Å; G83-D237 VanDerWaalsContact CA-OD1 3.32Å; G83-D237 WeakPolarHBondContact CA-OD1 3.25Å; G83-I238 WeakPolarHBondContact O-CB 3.44Å; G83-I238 PolarHBondContact O-N 3.46Å; G83-R239 PolarHBondContact O-N 2.84Å
84I91.1Very high93.3Very high3 Ų321.5 Ų21.52%0.01513%0.129CC..SBendtrans-77-2.3176.370-173.1000114.8P81 P82 K86 V199P81-I84 HydrophobicContact CB-CG2 4.08Å; P81-I84 VanDerWaalsContact O-CD1 3.28Å; P81-I84 WeakPolarHBondContact O-CD1 3.26Å; P81-I84 VanDerWaalsContact O-CG1 3.27Å; P81-I84 WeakPolarHBondContact O-CG1 3.39Å; P82-I84 PolarHBondContact O-N 2.64Å; I84-K86 HydrophobicContact CD1-CD 4.24Å; I84-K86 HydrophobicContact CD1-CG 3.87Å; I84-K86 HydrophobicContact CG1-CD 4.48Å; I84-K86 HydrophobicContact CG1-CG 3.72Å; I84-V199 HydrophobicContact CD1-CB 3.75Å; I84-V199 HydrophobicContact CD1-CG1 3.59Å; I84-V199 WeakPolarHBondContact CD1-O 3.32Å; I84-V199 HydrophobicContact CG1-CG1 4.08Å
85G92.3Very high93.5Very high23 Ų2328.6 Ų28.624%0.23716%0.155CC..SBendtrans89.430.6178.300000116.1G83 T88 M89G83-G85 PolarHBondContact O-N 3.24Å; G85-T88 PolarHBondContact O-N 3.37Å; G85-M89 VanDerWaalsContact O-CB 3.25Å; G85-M89 WeakPolarHBondContact O-CB 3.3Å; G85-M89 PolarHBondContact O-N 2.96Å
86K93.7Very high93.4Very high9 Ų935.5 Ų35.54%0.03919%0.188CC..Hα-helixtrans-58.4-51.2176-59.6-174.3-62.9-780112.6G80 P81 I84 M89 A90 I178 C179 N180 V199G80-K86 WeakPolarHBondContact O-CE 3.31Å; G80-K86 PolarHBondContact O-NZ 2.87Å; P81-K86 PolarHBondContact O-NZ 3.41Å; I84-K86 HydrophobicContact CD1-CD 4.24Å; I84-K86 HydrophobicContact CD1-CG 3.87Å; I84-K86 HydrophobicContact CG1-CD 4.48Å; I84-K86 HydrophobicContact CG1-CG 3.72Å; K86-M89 WeakPolarHBondContact O-CB 3.45Å; K86-M89 PolarHBondContact O-N 3.4Å; K86-A90 PolarHBondContact O-N 3.26Å; K86-I178 HydrophobicContact CB-CG2 3.75Å; K86-I178 HydrophobicContact CD-CG2 4.11Å; K86-C179 VanDerWaalsContact CE-O 3.3Å; K86-C179 WeakPolarHBondContact CE-O 3.38Å; K86-N180 VanDerWaalsContact CE-OD1 3.31Å; K86-N180 WeakPolarHBondContact CE-OD1 3.48Å; K86-N180 PolarHBondContact NZ-OD1 2.85Å; K86-V199 HydrophobicContact CG-CB 4.42Å; K86-V199 HydrophobicContact CG-CG2 4.48Å
87T94.6Very high93.2Very high33 Ų3335.8 Ų35.820%0.20219%0.19CC..Hα-helixtrans-60.4-48.4176.9-42.80000110.8M89 A90 H91 D141 I178T87-M89 VanDerWaalsContact C-N 3.32Å; T87-M89 PolarHBondContact O-N 2.7Å; T87-A90 PolarHBondContact O-N 2.96Å; T87-H91 PolarHBondContact O-CD2 2.91Å; T87-H91 VanDerWaalsContact O-CD2 3.3Å; T87-H91 PolarHBondContact O-N 3.29Å; T87-D141 WeakPolarHBondContact CB-OD2 3.39Å; T87-D141 WeakPolarHBondContact CG2-OD2 3.47Å; T87-D141 PolarHBondContact OG1-OD2 2.9Å; T87-I178 HydrophobicContact CG2-CD1 4.29Å
88T95Very high92.8Very high83 Ų8337 Ų3751%0.50920%0.202SC..Hα-helixtrans-58.1-43.8176.6-40.60000111.7G85 H91 M92G85-T88 PolarHBondContact O-N 3.37Å; T88-H91 PolarHBondContact O-N 2.96Å; T88-M92 HydrophobicContact CG2-CE 3.88Å; T88-M92 HydrophobicContact CG2-CG 4.45Å; T88-M92 HydrophobicContact CG2-SD 4.27Å; T88-M92 WeakPolarHBondContact O-CB 3.37Å; T88-M92 VanDerWaalsContact O-CG 3.24Å; T88-M92 WeakPolarHBondContact O-CG 3.43Å; T88-M92 PolarHBondContact O-N 3.18Å
89M94.1Very high92.7Very high4 Ų437.2 Ų37.22%0.0220%0.203CC..Hα-helixtrans-60.3-49.5176.5178.3-167.2-57.500111.5F4 N8 L11 G85 K86 T87 H91 M92 V93 V199F4-M89 HydrophobicContact CD1-CE 4.5Å; F4-M89 HydrophobicContact CE1-CE 3.76Å; F4-M89 HydrophobicContact CE2-CE 3.8Å; F4-M89 HydrophobicContact CZ-CE 3.35Å; N8-M89 WeakPolarHBondContact OD1-CE 3.24Å; N8-M89 WeakPolarHBondContact OD1-CG 3.26Å; N8-M89 PolarHBondContact OD1-SD 3.48Å; L11-M89 HydrophobicContact CD2-CG 4.37Å; G85-M89 VanDerWaalsContact O-CB 3.25Å; G85-M89 WeakPolarHBondContact O-CB 3.3Å; G85-M89 PolarHBondContact O-N 2.96Å; K86-M89 WeakPolarHBondContact O-CB 3.45Å; K86-M89 PolarHBondContact O-N 3.4Å; T87-M89 VanDerWaalsContact C-N 3.32Å; T87-M89 PolarHBondContact O-N 2.7Å; M89-H91 VanDerWaalsContact C-N 3.34Å; M89-H91 PolarHBondContact O-N 3.24Å; M89-M92 PolarHBondContact O-N 2.86Å; M89-V93 HydrophobicContact CG-CG2 4.32Å; M89-V93 VanDerWaalsContact O-CG2 3.29Å; M89-V93 WeakPolarHBondContact O-CG2 3.09Å; M89-V93 PolarHBondContact O-N 3.22Å; M89-V199 HydrophobicContact CE-CB 4.43Å; M89-V199 HydrophobicContact CE-CG1 3.65Å; M89-V199 HydrophobicContact CE-CG2 3.81Å; M89-V199 HydrophobicContact SD-CG2 4.07Å
90A95.6Very high92.6Very high0 Ų039.8 Ų39.80%021%0.214CC..Hα-helixtrans-58.9-45.9179.600000111.5L78 K86 T87 A94 I139 I176 I178L78-A90 HydrophobicContact CD1-CB 3.92Å; K86-A90 PolarHBondContact O-N 3.26Å; T87-A90 PolarHBondContact O-N 2.96Å; A90-A94 VanDerWaalsContact O-CB 3.26Å; A90-A94 WeakPolarHBondContact O-CB 3.43Å; A90-A94 PolarHBondContact O-N 3.37Å; A90-I139 HydrophobicContact CB-CD1 3.68Å; A90-I139 HydrophobicContact CB-CG1 4.37Å; A90-I139 HydrophobicContact CB-CG2 4.48Å; A90-I176 HydrophobicContact CB-CD1 4.38Å; A90-I176 HydrophobicContact CB-CG2 4.01Å; A90-I178 HydrophobicContact CB-CD1 4.03Å
91H97.1Very high92.7Very high29 Ų2940.4 Ų40.413%0.13422%0.217CC..Hα-helixtrans-59.9-50.5175.1-89.2-96.5000112.5T87 T88 M89 A94 R95 V101 E103T87-H91 PolarHBondContact O-CD2 2.91Å; T87-H91 VanDerWaalsContact O-CD2 3.3Å; T87-H91 PolarHBondContact O-N 3.29Å; T88-H91 PolarHBondContact O-N 2.96Å; M89-H91 VanDerWaalsContact C-N 3.34Å; M89-H91 PolarHBondContact O-N 3.24Å; H91-A94 PolarHBondContact O-N 3.39Å; H91-R95 WeakPolarHBondContact O-CB 3.32Å; H91-R95 VanDerWaalsContact O-CG 3.29Å; H91-R95 WeakPolarHBondContact O-CG 3.37Å; H91-R95 PolarHBondContact O-N 3.04Å; H91-V101 VanDerWaalsContact CE1-CG1 3.43Å; H91-V101 WeakPolarHBondContact CE1-CG1 3.45Å; H91-V101 WeakPolarHBondContact ND1-CG1 3.18Å; H91-E103 IonicContact CD2-OE2 3.91Å; H91-E103 IonicContact CE1-OE2 3.21Å; H91-E103 PolarHBondContact CE1-OE2 2.98Å; H91-E103 IonicContact NE2-OE2 2.68Å; H91-E103 PolarHBondContact NE2-OE2 3.31Å
92M95.4Very high92.8Very high113 Ų11341.4 Ų41.456%0.55722%0.218SC*.Hα-helixtrans-61.5-47.4-177.9-75.3-171.5-62.300111.5T88 M89 R95 H96T88-M92 HydrophobicContact CG2-CE 3.88Å; T88-M92 HydrophobicContact CG2-CG 4.45Å; T88-M92 HydrophobicContact CG2-SD 4.27Å; T88-M92 WeakPolarHBondContact O-CB 3.37Å; T88-M92 VanDerWaalsContact O-CG 3.24Å; T88-M92 WeakPolarHBondContact O-CG 3.43Å; T88-M92 PolarHBondContact O-N 3.18Å; M89-M92 PolarHBondContact O-N 2.86Å; M92-R95 PolarHBondContact O-N 2.87Å; M92-H96 WeakPolarHBondContact O-CB 3.39Å; M92-H96 PolarHBondContact O-N 3.37Å
93V94.5Very high93Very high14 Ų1442.5 Ų42.59%0.08522%0.218CC..Hα-helixtrans-66.8-40.8-178.1-178.10000111L11 L12 L15 M89 H96 C97L11-V93 HydrophobicContact CD2-CB 4.13Å; L11-V93 HydrophobicContact CD2-CG1 4.35Å; L11-V93 HydrophobicContact CD2-CG2 4.15Å; L11-V93 HydrophobicContact CG-CB 4.49Å; L11-V93 HydrophobicContact CG-CG1 4.17Å; L12-V93 HydrophobicContact CB-CG1 3.92Å; L12-V93 HydrophobicContact CD1-CG1 3.85Å; L15-V93 HydrophobicContact CD1-CB 4.25Å; L15-V93 HydrophobicContact CD1-CG1 3.59Å; M89-V93 HydrophobicContact CG-CG2 4.32Å; M89-V93 VanDerWaalsContact O-CG2 3.29Å; M89-V93 WeakPolarHBondContact O-CG2 3.09Å; M89-V93 PolarHBondContact O-N 3.22Å; V93-H96 PolarHBondContact O-N 3.36Å; V93-C97 WeakPolarHBondContact O-CB 3.33Å; V93-C97 PolarHBondContact O-N 3.27Å; V93-C97 PolarHBondContact O-SG 3.03Å
94A94.2Very high93Very high0 Ų042.6 Ų42.60%022%0.217CC..Hα-helixtrans-63.8-48.2176.700000112L15 A90 H91 H96 C97 G98 Y99 V101 C137L15-A94 HydrophobicContact CD1-CB 4.34Å; A90-A94 VanDerWaalsContact O-CB 3.26Å; A90-A94 WeakPolarHBondContact O-CB 3.43Å; A90-A94 PolarHBondContact O-N 3.37Å; H91-A94 PolarHBondContact O-N 3.39Å; A94-H96 PolarHBondContact O-N 2.74Å; A94-C97 PolarHBondContact O-N 3.21Å; A94-C97 VanDerWaalsContact O-N 3.16Å; A94-G98 PolarHBondContact O-N 3.45Å; A94-Y99 WeakPolarHBondContact O-CB 3.15Å; A94-Y99 PolarHBondContact O-N 2.86Å; A94-V101 HydrophobicContact CB-CG2 3.57Å; A94-C137 HydrophobicContact CB-CB 4.08Å
95R93.8Very high93Very high168 Ų16844.6 Ų44.663%0.63423%0.227SC*.Hα-helixtrans-61.1-43.2175.9-71.8179.5-174.7-176.82.7111.7H91 M92 C97 G98 V101H91-R95 WeakPolarHBondContact O-CB 3.32Å; H91-R95 VanDerWaalsContact O-CG 3.29Å; H91-R95 WeakPolarHBondContact O-CG 3.37Å; H91-R95 PolarHBondContact O-N 3.04Å; M92-R95 PolarHBondContact O-N 2.87Å; R95-C97 PolarHBondContact O-N 3.18Å; R95-G98 PolarHBondContact O-N 2.78Å; R95-V101 HydrophobicContact CG-CG2 3.92Å
96H91.6Very high92.6Very high146 Ų14643.5 Ų43.568%0.67622%0.216SC*.Hα-helixtrans-62.6-31.4176.8-177-88.6000112.5M92 V93 A94 G98M92-H96 WeakPolarHBondContact O-CB 3.39Å; M92-H96 PolarHBondContact O-N 3.37Å; V93-H96 PolarHBondContact O-N 3.36Å; A94-H96 PolarHBondContact O-N 2.74Å; H96-G98 PolarHBondContact O-N 3.18Å
97C90.4Very high91.9Very high6 Ų644.6 Ų44.64%0.04122%0.224CC..THydrogen-bonded Turntrans-77.9-6.4173.8-710000114.2L12 L15 V93 A94 R95 Y99L12-C97 WeakPolarHBondContact CD1-SG 3.45Å; L15-C97 HydrophobicContact CB-CB 4.49Å; V93-C97 WeakPolarHBondContact O-CB 3.33Å; V93-C97 PolarHBondContact O-N 3.27Å; V93-C97 PolarHBondContact O-SG 3.03Å; A94-C97 PolarHBondContact O-N 3.21Å; A94-C97 VanDerWaalsContact O-N 3.16Å; R95-C97 PolarHBondContact O-N 3.18Å; C97-Y99 HydrophobicContact CB-CD2 3.57Å; C97-Y99 HydrophobicContact CB-CE2 3.67Å
98G88.8Confident91Very high25 Ų2548.7 Ų48.726%0.25825%0.245SC..THydrogen-bonded Turntrans9114-179.800000114.4A94 R95 H96A94-G98 PolarHBondContact O-N 3.45Å; R95-G98 PolarHBondContact O-N 2.78Å; H96-G98 PolarHBondContact O-N 3.18Å
99Y91.4Very high89.8Confident5 Ų546.2 Ų46.22%0.0223%0.229CC..PPolyproline II helixtrans-84.4149.5174.4-65.3-89.5000111.4L15 W18 V22 F23 A94 C97 P135 C137 P174L15-Y99 HydrophobicContact CD2-CD2 4.39Å; L15-Y99 HydrophobicContact CD2-CE2 4.07Å; L15-Y99 PolarHBondContact O-OH 3.09Å; W18-Y99 VanDerWaalsContact CB-OH 3.22Å; W18-Y99 WeakPolarHBondContact CB-OH 3.21Å; V22-Y99 HydrophobicContact CB-CE1 4.2Å; V22-Y99 HydrophobicContact CG1-CD1 4.38Å; V22-Y99 HydrophobicContact CG1-CE1 3.53Å; V22-Y99 HydrophobicContact CG2-CE1 4.14Å; F23-Y99 HydrophobicContact CE2-CD1 4.42Å; F23-Y99 HydrophobicContact CE2-CD2 4.35Å; F23-Y99 AromaticContact CE2-CE1 3.88Å; F23-Y99 HydrophobicContact CE2-CE1 3.88Å; F23-Y99 AromaticContact CE2-CE2 3.78Å; F23-Y99 HydrophobicContact CE2-CE2 3.78Å; F23-Y99 AromaticContact CE2-CZ 3.5Å; F23-Y99 VanDerWaalsContact CE2-CZ 3.5Å; F23-Y99 HydrophobicContact CZ-CD1 4.28Å; F23-Y99 HydrophobicContact CZ-CD2 4.39Å; F23-Y99 HydrophobicContact CZ-CE1 4.17Å; F23-Y99 HydrophobicContact CZ-CE2 4.27Å; F23-Y99 HydrophobicContact CZ-CG 4.38Å; A94-Y99 WeakPolarHBondContact O-CB 3.15Å; A94-Y99 PolarHBondContact O-N 2.86Å; C97-Y99 HydrophobicContact CB-CD2 3.57Å; C97-Y99 HydrophobicContact CB-CE2 3.67Å; Y99-P135 WeakPolarHBondContact CA-O 3.36Å; Y99-P135 HydrophobicContact CD1-CB 4.45Å; Y99-P135 HydrophobicContact CD1-CG 4.04Å; Y99-P135 HydrophobicContact CE1-CG 4.24Å; Y99-C137 HydrophobicContact CD1-CB 3.95Å; Y99-C137 HydrophobicContact CG-CB 3.78Å; Y99-P174 HydrophobicContact CD1-CG 4.1Å; Y99-P174 HydrophobicContact CE1-CG 3.65Å
100H90.6Very high88.6Confident56 Ų5656.1 Ų56.126%0.25927%0.266SS..EExtended strand (participates in β ladder)trans-82.4126.1160.1-179.6-76.7000108.5R127 K134 P135 H136 C137H100-R127 PolarHBondContact NE2-NH1 3.48Å; H100-K134 HydrophobicContact CB-CB 4.12Å; H100-P135 PolarHBondContact N-O 3.43Å; H100-H136 CarbonylContact O-C 3.51Å; H100-H136 VanDerWaalsContact O-CA 3.3Å; H100-H136 WeakPolarHBondContact O-CA 3.17Å; H100-C137 PolarHBondContact O-N 2.97Å
101V92.8Very high87.8Confident18 Ų1859.4 Ų59.411%0.10929%0.286CS..EExtended strand (participates in β ladder)trans-85.2125.2-179179.30000109.6H91 A94 R95 C137 I139H91-V101 VanDerWaalsContact CE1-CG1 3.43Å; H91-V101 WeakPolarHBondContact CE1-CG1 3.45Å; H91-V101 WeakPolarHBondContact ND1-CG1 3.18Å; A94-V101 HydrophobicContact CB-CG2 3.57Å; R95-V101 HydrophobicContact CG-CG2 3.92Å; V101-C137 WeakPolarHBondContact CA-O 3.46Å; V101-I139 HydrophobicContact CG1-CB 4.44Å; V101-I139 HydrophobicContact CG1-CD1 3.34Å; V101-I139 HydrophobicContact CG1-CG1 3.82Å; V101-I139 HydrophobicContact CG2-CD1 4.49Å
102Q91.8Very high87.1Confident71 Ų7161.4 Ų61.433%0.33230%0.297SS..EExtended strand (participates in β ladder)trans-110.9107.8166.5-178.660.660.800108.2A122 C137 V138 I139Q102-A122 HydrophobicContact CB-CB 4.24Å; Q102-A122 HydrophobicContact CG-CB 3.68Å; Q102-C137 PolarHBondContact N-O 2.97Å; Q102-V138 CarbonylContact O-C 3.59Å; Q102-V138 WeakPolarHBondContact O-CA 3.43Å; Q102-I139 PolarHBondContact O-N 3.38Å
103E93.4Very high86.7Confident79 Ų7962.6 Ų62.637%0.36930%0.302SS..EExtended strand (participates in β ladder)trans-89.4142.6176.8-174174.3-178.200110.4H91 I139H91-E103 IonicContact CD2-OE2 3.91Å; H91-E103 IonicContact CE1-OE2 3.21Å; H91-E103 PolarHBondContact CE1-OE2 2.98Å; H91-E103 IonicContact NE2-OE2 2.68Å; H91-E103 PolarHBondContact NE2-OE2 3.31Å; E103-I139 CarbonylContact C-O 3.56Å; E103-I139 WeakPolarHBondContact CA-O 3.15Å
104I91.6Very high86.2Confident10 Ų1062.9 Ų62.95%0.05131%0.305CS..EExtended strand (participates in β ladder)trans-135.6125.2175.2-59.6173.4000106.1F115 L118 L119 V138 I139 V140 D141I104-F115 HydrophobicContact CG2-CD2 4.37Å; I104-F115 HydrophobicContact CG2-CE2 4.33Å; I104-L118 HydrophobicContact CD1-CB 4.04Å; I104-L119 HydrophobicContact CD1-CB 4.46Å; I104-L119 HydrophobicContact CD1-CD1 4.48Å; I104-V138 HydrophobicContact CD1-CG1 3.94Å; I104-I139 PolarHBondContact N-O 3.4Å; I104-V140 CarbonylContact O-C 3.58Å; I104-V140 WeakPolarHBondContact O-CA 3.43Å; I104-D141 PolarHBondContact O-N 3.09Å
105N90.3Very high85.8Confident45 Ų4562.9 Ų62.924%0.24131%0.305CS..EExtended strand (participates in β ladder)trans-86.9115.1172-168.97.2000109.6S107 D108 D109N105-S107 PolarHBondContact ND2-OG 2.88Å; N105-S107 PolarHBondContact OD1-OG 3.47Å; N105-D108 HydrophobicContact CB-CB 4.29Å; N105-D108 VanDerWaalsContact ND2-CG 3.28Å; N105-D108 PolarHBondContact ND2-OD2 3.48Å; N105-D109 PolarHBondContact O-N 3.33Å
106A84.8Confident85.4Confident0 Ų056.2 Ų56.20%028%0.283CS..THydrogen-bonded Turntrans-79.7-21.5-172.200000113.7F115 V140 D141 I143 A146A106-F115 HydrophobicContact CB-CE2 4.19Å; A106-V140 HydrophobicContact CB-CG1 3.68Å; A106-D141 VanDerWaalsContact CB-O 3.32Å; A106-D141 WeakPolarHBondContact CB-O 3.35Å; A106-D141 PolarHBondContact N-O 3.01Å; A106-I143 HydrophobicContact CB-CD1 3.98Å; A106-A146 HydrophobicContact CB-CB 3.74Å
107S78.6Confident85.1Confident31 Ų3158.1 Ų58.122%0.21729%0.285CS..THydrogen-bonded Turntrans-74.5-32176.260.10000112.2N105 E142N105-S107 PolarHBondContact ND2-OG 2.88Å; N105-S107 PolarHBondContact OD1-OG 3.47Å; S107-E142 WeakPolarHBondContact CB-OE2 3.44Å; S107-E142 PolarHBondContact OG-OE2 2.98Å
108D76Confident84.9Confident119 Ų11961.5 Ų61.564%0.63630%0.302SS*.THydrogen-bonded Turntrans-77.8-35.5177.8-70.8-27000112.5N105 R110N105-D108 HydrophobicContact CB-CB 4.29Å; N105-D108 VanDerWaalsContact ND2-CG 3.28Å; N105-D108 PolarHBondContact ND2-OD2 3.48Å; D108-R110 PolarHBondContact O-N 2.83Å
109D69.2Low84.7Confident32 Ų3260.3 Ų60.317%0.17129%0.29CS..  trans-80.281.8178.6-86.2-52.6000112N105 T111 S114 F115 L118N105-D109 PolarHBondContact O-N 3.33Å; D109-T111 VanDerWaalsContact C-N 3.34Å; D109-T111 PolarHBondContact O-N 2.82Å; D109-S114 PolarHBondContact OD1-OG 3.23Å; D109-F115 HydrophobicContact CB-CB 4.37Å; D109-F115 HydrophobicContact CB-CD2 4.4Å; D109-L118 WeakPolarHBondContact OD1-CD1 3.41Å; D109-L118 WeakPolarHBondContact OD2-CD1 3.39Å
110R68Low84.4Confident211 Ų21161.2 Ų61.280%0.79630%0.297SS*.  trans-73.5-17.2-172.6-62.5-173.6-177.7-165.30.9115.3D108D108-R110 PolarHBondContact O-N 2.83Å
111T80.5Confident84Confident69 Ų6959.5 Ų59.542%0.42330%0.295SS..SBendtrans-107.2143.8-179.770.70000112.3D109 E113 S114 F115D109-T111 VanDerWaalsContact C-N 3.34Å; D109-T111 PolarHBondContact O-N 2.82Å; T111-E113 PolarHBondContact O-N 2.78Å; T111-S114 PolarHBondContact O-N 2.99Å; T111-S114 PolarHBondContact O-OG 2.84Å; T111-S114 WeakPolarHBondContact OG1-CB 3.31Å; T111-S114 PolarHBondContact OG1-N 2.92Å; T111-S114 PolarHBondContact OG1-OG 3.26Å; T111-F115 WeakPolarHBondContact O-CB 3.45Å; T111-F115 PolarHBondContact O-N 3.04Å; T111-F115 VanDerWaalsContact O-N 3.12Å
112L82.6Confident83.5Confident71 Ų7158.9 Ų58.937%0.37229%0.291SS..Hα-helixtrans-61.4-35.2176.5178.462.4000111.2S116 P149 Y153L112-S116 WeakPolarHBondContact O-CB 3.36Å; L112-S116 PolarHBondContact O-N 2.98Å; L112-S116 PolarHBondContact O-OG 2.81Å; L112-P149 HydrophobicContact CD1-CB 4.41Å; L112-P149 HydrophobicContact CD2-CB 4.17Å; L112-Y153 HydrophobicContact CD1-CG 4.5Å
113E86Confident83Confident138 Ų13856.9 Ų56.965%0.64528%0.283SS*.Hα-helixtrans-67.4-42178.1-58.790.9-174.900112.3T111 S116 R117T111-E113 PolarHBondContact O-N 2.78Å; E113-S116 PolarHBondContact O-OG 3.28Å; E113-R117 WeakPolarHBondContact O-CB 3.34Å; E113-R117 PolarHBondContact O-N 2.85Å
114S84.2Confident82.2Confident21 Ų2159.2 Ų59.215%0.14729%0.293CS..Hα-helixtrans-64.9-48.517976.40000110.3D109 T111 R117 L118D109-S114 PolarHBondContact OD1-OG 3.23Å; T111-S114 PolarHBondContact O-N 2.99Å; T111-S114 PolarHBondContact O-OG 2.84Å; T111-S114 WeakPolarHBondContact OG1-CB 3.31Å; T111-S114 PolarHBondContact OG1-N 2.92Å; T111-S114 PolarHBondContact OG1-OG 3.26Å; S114-R117 PolarHBondContact O-N 3.3Å; S114-L118 WeakPolarHBondContact O-CB 3.49Å; S114-L118 WeakPolarHBondContact O-CG 3.13Å; S114-L118 PolarHBondContact O-N 2.79Å
115F85.5Confident81Confident0 Ų064 Ų640%032%0.317CS..Hα-helixtrans-60.9-49.3179.6-176.9-98.1000112.2I104 A106 D109 T111 R117 L118 L119 V140 Y153 L154I104-F115 HydrophobicContact CG2-CD2 4.37Å; I104-F115 HydrophobicContact CG2-CE2 4.33Å; A106-F115 HydrophobicContact CB-CE2 4.19Å; D109-F115 HydrophobicContact CB-CB 4.37Å; D109-F115 HydrophobicContact CB-CD2 4.4Å; T111-F115 WeakPolarHBondContact O-CB 3.45Å; T111-F115 PolarHBondContact O-N 3.04Å; T111-F115 VanDerWaalsContact O-N 3.12Å; F115-R117 VanDerWaalsContact C-N 3.35Å; F115-R117 PolarHBondContact O-N 2.78Å; F115-L118 PolarHBondContact O-N 3.29Å; F115-L119 HydrophobicContact CE1-CD2 4.02Å; F115-L119 HydrophobicContact CZ-CD2 4.35Å; F115-L119 VanDerWaalsContact O-CB 3.25Å; F115-L119 WeakPolarHBondContact O-CB 3.34Å; F115-L119 PolarHBondContact O-N 2.74Å; F115-V140 HydrophobicContact CE2-CG1 3.92Å; F115-V140 HydrophobicContact CZ-CG1 4.17Å; F115-Y153 HydrophobicContact CD1-CD1 4.47Å; F115-Y153 HydrophobicContact CE1-CD1 4.42Å; F115-L154 HydrophobicContact CE1-CD1 4.17Å; F115-L154 HydrophobicContact CE1-CG 3.93Å; F115-L154 HydrophobicContact CZ-CD1 3.73Å; F115-L154 HydrophobicContact CZ-CD2 4.42Å; F115-L154 HydrophobicContact CZ-CG 3.91Å
116S84.8Confident79.6Confident27 Ų2770 Ų7019%0.18934%0.341CS..Hα-helixtrans-66-35.7-179.562.30000112.7L112 E113 S120L112-S116 WeakPolarHBondContact O-CB 3.36Å; L112-S116 PolarHBondContact O-N 2.98Å; L112-S116 PolarHBondContact O-OG 2.81Å; E113-S116 PolarHBondContact O-OG 3.28Å; S116-S120 WeakPolarHBondContact O-CB 3.39Å; S116-S120 PolarHBondContact O-N 3.17Å; S116-S120 PolarHBondContact O-OG 3.29Å
117R86.1Confident78Confident186 Ų18674.5 Ų74.570%0.70236%0.358SS*.Hα-helixtrans-67.1-47.2175.4-177.6176.665.9-176.80111.5E113 S114 F115 S120 G121E113-R117 WeakPolarHBondContact O-CB 3.34Å; E113-R117 PolarHBondContact O-N 2.85Å; S114-R117 PolarHBondContact O-N 3.3Å; F115-R117 VanDerWaalsContact C-N 3.35Å; F115-R117 PolarHBondContact O-N 2.78Å; R117-S120 PolarHBondContact O-N 3.48Å; R117-G121 PolarHBondContact O-N 3.46Å
118L85.1Confident76.8Confident78 Ų7879.6 Ų79.641%0.40839%0.388SS..Hα-helixtrans-62.1-46.7177.7-73.7169.5000111I104 D109 S114 F115 G121 A122I104-L118 HydrophobicContact CD1-CB 4.04Å; D109-L118 WeakPolarHBondContact OD1-CD1 3.41Å; D109-L118 WeakPolarHBondContact OD2-CD1 3.39Å; S114-L118 WeakPolarHBondContact O-CB 3.49Å; S114-L118 WeakPolarHBondContact O-CG 3.13Å; S114-L118 PolarHBondContact O-N 2.79Å; F115-L118 PolarHBondContact O-N 3.29Å; L118-G121 PolarHBondContact O-N 2.92Å; L118-A122 VanDerWaalsContact O-CB 3.26Å; L118-A122 WeakPolarHBondContact O-CB 3.3Å; L118-A122 PolarHBondContact O-N 3.49Å
119L85.9Confident75.9Confident0 Ų081.8 Ų81.80%040%0.399CS..Hα-helixtrans-63.9-47.1178-174.861.1000111.8I104 F115 G121 A122 L123 V138 Y153 L154 L157 I175I104-L119 HydrophobicContact CD1-CB 4.46Å; I104-L119 HydrophobicContact CD1-CD1 4.48Å; F115-L119 HydrophobicContact CE1-CD2 4.02Å; F115-L119 HydrophobicContact CZ-CD2 4.35Å; F115-L119 VanDerWaalsContact O-CB 3.25Å; F115-L119 WeakPolarHBondContact O-CB 3.34Å; F115-L119 PolarHBondContact O-N 2.74Å; L119-G121 PolarHBondContact O-N 3.39Å; L119-A122 PolarHBondContact O-N 2.94Å; L119-L123 HydrophobicContact CD1-CD1 4.15Å; L119-L123 HydrophobicContact CD1-CG 4.3Å; L119-L123 HydrophobicContact CG-CD1 4.01Å; L119-L123 WeakPolarHBondContact O-CB 3.42Å; L119-L123 WeakPolarHBondContact O-CG 3.26Å; L119-L123 PolarHBondContact O-N 3.05Å; L119-V138 HydrophobicContact CD1-CB 4.47Å; L119-V138 HydrophobicContact CD1-CG1 3.82Å; L119-Y153 HydrophobicContact CD2-CD1 4.02Å; L119-Y153 HydrophobicContact CD2-CE1 3.89Å; L119-L154 HydrophobicContact CD1-CD2 4.33Å; L119-L154 HydrophobicContact CD2-CD2 3.4Å; L119-L154 HydrophobicContact CD2-CG 4.05Å; L119-L157 HydrophobicContact CD2-CD1 3.5Å; L119-L157 VanDerWaalsContact CD2-CD1 3.5Å; L119-L157 HydrophobicContact CG-CD1 4.16Å; L119-I175 HydrophobicContact CD1-CD1 4.33Å
120S84.5Confident75.2Confident23 Ų2383.4 Ų83.416%0.16141%0.407CS..Hα-helixtrans-62.7-43.7178.6-64.90000111.9S116 R117 L123 Q124 Y153S116-S120 WeakPolarHBondContact O-CB 3.39Å; S116-S120 PolarHBondContact O-N 3.17Å; S116-S120 PolarHBondContact O-OG 3.29Å; R117-S120 PolarHBondContact O-N 3.48Å; S120-L123 PolarHBondContact O-N 2.87Å; S120-Q124 WeakPolarHBondContact O-CB 3.18Å; S120-Q124 VanDerWaalsContact O-CG 3.28Å; S120-Q124 WeakPolarHBondContact O-CG 3.44Å; S120-Q124 PolarHBondContact O-N 3.48Å; S120-Y153 PolarHBondContact OG-OH 3.44Å
121G81.8Confident74.7Confident21 Ų2178.6 Ų78.622%0.21641%0.413CS..Hα-helixtrans-58.4-49.9174.300000111.3R117 L118 L119 L123 Q124 M125R117-G121 PolarHBondContact O-N 3.46Å; L118-G121 PolarHBondContact O-N 2.92Å; L119-G121 PolarHBondContact O-N 3.39Å; G121-L123 VanDerWaalsContact C-N 3.27Å; G121-L123 PolarHBondContact O-N 3.27Å; G121-Q124 PolarHBondContact O-N 3.46Å; G121-M125 WeakPolarHBondContact O-CB 3.48Å; G121-M125 WeakPolarHBondContact O-CG 3.48Å; G121-M125 PolarHBondContact O-N 3.04Å
122A82.6Confident73.8Confident4 Ų480 Ų803%0.03342%0.421CS..Hα-helixtrans-59.9-35.2179.400000113.2Q102 L118 L119 H136 V138Q102-A122 HydrophobicContact CB-CB 4.24Å; Q102-A122 HydrophobicContact CG-CB 3.68Å; L118-A122 VanDerWaalsContact O-CB 3.26Å; L118-A122 WeakPolarHBondContact O-CB 3.3Å; L118-A122 PolarHBondContact O-N 3.49Å; L119-A122 PolarHBondContact O-N 2.94Å; A122-H136 WeakPolarHBondContact O-CB 3.2Å; A122-H136 PolarHBondContact O-ND1 3.1Å; A122-V138 HydrophobicContact CB-CG2 3.76Å
123L82.1Confident73.2Confident30 Ų3080.7 Ų80.716%0.15743%0.43CS..Hα-helixtrans-79.7-31.1179.6-67.2174.7000113.4L119 S120 G121 V138 L157 L171 R173 I175L119-L123 HydrophobicContact CD1-CD1 4.15Å; L119-L123 HydrophobicContact CD1-CG 4.3Å; L119-L123 HydrophobicContact CG-CD1 4.01Å; L119-L123 WeakPolarHBondContact O-CB 3.42Å; L119-L123 WeakPolarHBondContact O-CG 3.26Å; L119-L123 PolarHBondContact O-N 3.05Å; S120-L123 PolarHBondContact O-N 2.87Å; G121-L123 VanDerWaalsContact C-N 3.27Å; G121-L123 PolarHBondContact O-N 3.27Å; L123-V138 HydrophobicContact CD2-CG2 3.76Å; L123-V138 HydrophobicContact CG-CG2 4.32Å; L123-L157 HydrophobicContact CD1-CD1 4.24Å; L123-L171 HydrophobicContact CD1-CD1 3.69Å; L123-L171 HydrophobicContact CD2-CD1 3.52Å; L123-L171 HydrophobicContact CG-CD1 4.22Å; L123-R173 HydrophobicContact CD2-CB 3.68Å; L123-R173 HydrophobicContact CD2-CG 4.28Å; L123-I175 HydrophobicContact CD1-CD1 4.4Å; L123-I175 HydrophobicContact CD2-CD1 4.3Å; L123-I175 HydrophobicContact CD2-CG1 4.21Å
124Q75.5Confident72.8Confident127 Ų12779.3 Ų79.359%0.59342%0.422SS*.Hα-helixtrans-88.8-28.8-178-72.4-178.9-9.500113.8S120 G121 K126 M169S120-Q124 WeakPolarHBondContact O-CB 3.18Å; S120-Q124 VanDerWaalsContact O-CG 3.28Å; S120-Q124 WeakPolarHBondContact O-CG 3.44Å; S120-Q124 PolarHBondContact O-N 3.48Å; G121-Q124 PolarHBondContact O-N 3.46Å; Q124-K126 PolarHBondContact O-N 2.98Å; Q124-K126 VanDerWaalsContact O-N 3.13Å; Q124-M169 HydrophobicContact CG-CE 4.37Å
125M67Low72.9Confident112 Ų11279 Ų7955%0.55242%0.419SS*.  trans-58.6117.7-175.9-81.6175.6177.800111.6G121G121-M125 WeakPolarHBondContact O-CB 3.48Å; G121-M125 WeakPolarHBondContact O-CG 3.48Å; G121-M125 PolarHBondContact O-N 3.04Å
126K59.9Low73Confident170 Ų17079.1 Ų79.174%0.73942%0.42SS*.  trans-100.8111.1158.6-69.9-180-178.7176.50105.8Q124 T128Q124-K126 PolarHBondContact O-N 2.98Å; Q124-K126 VanDerWaalsContact O-N 3.13Å; K126-T128 PolarHBondContact O-N 3.32Å
127R52.3Low73.4Confident94 Ų9477.9 Ų77.936%0.35541%0.411SS..  trans-61.6125.9175.8-68.4177.464.6110.84.1108.5H100 D130 P133H100-R127 PolarHBondContact NE2-NH1 3.48Å; R127-D130 IonicContact CZ-OD2 3.2Å; R127-D130 IonicContact NE-OD2 2.71Å; R127-D130 PolarHBondContact NE-OD2 3.16Å; R127-D130 IonicContact NH2-OD1 3.17Å; R127-D130 PolarHBondContact NH2-OD1 3.47Å; R127-D130 VanDerWaalsContact NH2-OD1 3.17Å; R127-D130 IonicContact NH2-OD2 2.98Å; R127-D130 PolarHBondContact NH2-OD2 2.88Å; R127-P133 WeakPolarHBondContact O-CB 3.35Å
128T54.2Low73.8Confident138 Ų13869 Ų6985%0.84738%0.378SS*.  trans-98.8-12.8177.7-33.70000112.2K126K126-T128 PolarHBondContact O-N 3.32Å
129L55.2Low74.3Confident166 Ų16665.3 Ų65.387%0.86936%0.358SS*.SBendtrans-92.4-25.5-167.1-68.7163.1000114.5
130D54.9Low74.8Confident65 Ų6565.3 Ų65.335%0.34836%0.358SS..SBendtrans-87.2141.2-178.8-56.4-31.1000110.7R127 T132R127-D130 IonicContact CZ-OD2 3.2Å; R127-D130 IonicContact NE-OD2 2.71Å; R127-D130 PolarHBondContact NE-OD2 3.16Å; R127-D130 IonicContact NH2-OD1 3.17Å; R127-D130 PolarHBondContact NH2-OD1 3.47Å; R127-D130 VanDerWaalsContact NH2-OD1 3.17Å; R127-D130 IonicContact NH2-OD2 2.98Å; R127-D130 PolarHBondContact NH2-OD2 2.88Å; D130-T132 PolarHBondContact O-N 2.89Å
131A57.4Low75.3Confident111 Ų11165.2 Ų65.292%0.91736%0.356SS*.SBendtrans-54.4-23.8177.100000113.7
132T61.3Low75.8Confident98 Ų9867.7 Ų67.760%0.60136%0.362SS*.SBendtrans-130.6101.5169.354.10000109.7D130 K134D130-T132 PolarHBondContact O-N 2.89Å; T132-K134 PolarHBondContact O-N 3.34Å
133P70Confident76.2Confident86 Ų8667.5 Ų67.556%0.55836%0.361SS*.  trans-68.999.2-177.928.1-35.4000110R127R127-P133 WeakPolarHBondContact O-CB 3.35Å
134K79.6Confident76.7Confident109 Ų10968 Ų6847%0.47436%0.364SS..PPolyproline II helixtrans-74.1130.7175.8-70.1-179.5-176.21740109.6H100 T132H100-K134 HydrophobicContact CB-CB 4.12Å; T132-K134 PolarHBondContact O-N 3.34Å
135P84.9Confident77.2Confident13 Ų1364.3 Ų64.38%0.08436%0.359CS..PPolyproline II helixtrans-67.5150.8176.329.5-33.8000110.8V22 F23 Y99 H100V22-P135 HydrophobicContact CG1-CB 3.32Å; V22-P135 HydrophobicContact CG1-CG 3.31Å; F23-P135 HydrophobicContact CD1-CG 3.81Å; F23-P135 HydrophobicContact CE1-CG 3.19Å; F23-P135 HydrophobicContact CE2-CG 4.12Å; F23-P135 HydrophobicContact CG-CG 4.5Å; F23-P135 HydrophobicContact CZ-CG 3.36Å; Y99-P135 WeakPolarHBondContact CA-O 3.36Å; Y99-P135 HydrophobicContact CD1-CB 4.45Å; Y99-P135 HydrophobicContact CD1-CG 4.04Å; Y99-P135 HydrophobicContact CE1-CG 4.24Å; H100-P135 PolarHBondContact N-O 3.43Å
136H89Confident78.3Confident4 Ų459.4 Ų59.42%0.01934%0.336CS..EExtended strand (participates in β ladder)trans-76.6144.2-178.5-70.4-162.6000112.4H100 A122 R173H100-H136 CarbonylContact O-C 3.51Å; H100-H136 VanDerWaalsContact O-CA 3.3Å; H100-H136 WeakPolarHBondContact O-CA 3.17Å; A122-H136 WeakPolarHBondContact O-CB 3.2Å; A122-H136 PolarHBondContact O-ND1 3.1Å; H136-R173 VanDerWaalsContact O-CD 3.26Å; H136-R173 WeakPolarHBondContact O-CD 2.98Å
137C92.5Very high79.5Confident0 Ų053.6 Ų53.60%032%0.316CS..EExtended strand (participates in β ladder)trans-118.1122.7159.1177.10000106.4A94 Y99 H100 V101 Q102 P174A94-C137 HydrophobicContact CB-CB 4.08Å; Y99-C137 HydrophobicContact CD1-CB 3.95Å; Y99-C137 HydrophobicContact CG-CB 3.78Å; H100-C137 PolarHBondContact O-N 2.97Å; V101-C137 WeakPolarHBondContact CA-O 3.46Å; Q102-C137 PolarHBondContact N-O 2.97Å; C137-P174 HydrophobicContact CB-CG 3.97Å
138V94.3Very high81.3Confident0 Ų051.3 Ų51.30%032%0.317CS..EExtended strand (participates in β ladder)trans-88.8130-179.1-173.60000108.7Q102 I104 L119 A122 L123 V140 P174 I175 I176Q102-V138 CarbonylContact O-C 3.59Å; Q102-V138 WeakPolarHBondContact O-CA 3.43Å; I104-V138 HydrophobicContact CD1-CG1 3.94Å; L119-V138 HydrophobicContact CD1-CB 4.47Å; L119-V138 HydrophobicContact CD1-CG1 3.82Å; A122-V138 HydrophobicContact CB-CG2 3.76Å; L123-V138 HydrophobicContact CD2-CG2 3.76Å; L123-V138 HydrophobicContact CG-CG2 4.32Å; V138-V140 HydrophobicContact CG1-CG2 4.08Å; V138-P174 PolarHBondContact N-O 3.3Å; V138-I175 HydrophobicContact CB-CG1 4.37Å; V138-I175 CarbonylContact O-C 3.51Å; V138-I175 WeakPolarHBondContact O-CA 3.26Å; V138-I176 PolarHBondContact O-N 2.92Å
139I96.4Very high83Confident0 Ų048.2 Ų48.20%030%0.299CS..EExtended strand (participates in β ladder)trans-110127.8170.1-61.1-179.7000107.3A90 V101 Q102 E103 I104 I176 I178A90-I139 HydrophobicContact CB-CD1 3.68Å; A90-I139 HydrophobicContact CB-CG1 4.37Å; A90-I139 HydrophobicContact CB-CG2 4.48Å; V101-I139 HydrophobicContact CG1-CB 4.44Å; V101-I139 HydrophobicContact CG1-CD1 3.34Å; V101-I139 HydrophobicContact CG1-CG1 3.82Å; V101-I139 HydrophobicContact CG2-CD1 4.49Å; Q102-I139 PolarHBondContact O-N 3.38Å; E103-I139 CarbonylContact C-O 3.56Å; E103-I139 WeakPolarHBondContact CA-O 3.15Å; I104-I139 PolarHBondContact N-O 3.4Å; I139-I176 CarbonylContact C-O 3.56Å; I139-I176 VanDerWaalsContact CA-O 3.26Å; I139-I176 WeakPolarHBondContact CA-O 3.43Å; I139-I176 HydrophobicContact CG1-CB 4.39Å; I139-I178 HydrophobicContact CG2-CD1 3.53Å; I139-I178 HydrophobicContact CG2-CG1 4.33Å
140V95.2Very high84.6Confident0 Ų040.3 Ų40.30%026%0.258CS..EExtended strand (participates in β ladder)trans-114.299.4176.5-172.90000107.4I104 A106 F115 V138 I143 I175 I176 C177 I178I104-V140 CarbonylContact O-C 3.58Å; I104-V140 WeakPolarHBondContact O-CA 3.43Å; A106-V140 HydrophobicContact CB-CG1 3.68Å; F115-V140 HydrophobicContact CE2-CG1 3.92Å; F115-V140 HydrophobicContact CZ-CG1 4.17Å; V138-V140 HydrophobicContact CG1-CG2 4.08Å; V140-I143 HydrophobicContact CG1-CD1 3.76Å; V140-I175 HydrophobicContact CG2-CG2 4.08Å; V140-I176 PolarHBondContact N-O 3.47Å; V140-C177 CarbonylContact O-C 3.57Å; V140-C177 WeakPolarHBondContact O-CA 3.48Å; V140-I178 PolarHBondContact O-N 3.45Å
141D94.6Very high86.4Confident21 Ų2137.2 Ų37.211%0.11224%0.241CC..EExtended strand (participates in β ladder)trans-82.7154.8-179.8-147.4-10.3000111T87 I104 A106 I143 I178T87-D141 WeakPolarHBondContact CB-OD2 3.39Å; T87-D141 WeakPolarHBondContact CG2-OD2 3.47Å; T87-D141 PolarHBondContact OG1-OD2 2.9Å; I104-D141 PolarHBondContact O-N 3.09Å; A106-D141 VanDerWaalsContact CB-O 3.32Å; A106-D141 WeakPolarHBondContact CB-O 3.35Å; A106-D141 PolarHBondContact N-O 3.01Å; D141-I143 VanDerWaalsContact C-N 3.3Å; D141-I143 PolarHBondContact O-N 2.89Å; D141-I178 WeakPolarHBondContact OD1-CB 3.37Å; D141-I178 WeakPolarHBondContact OD1-CG2 3.13Å
142E92.9Very high87.9Confident74 Ų7435.7 Ų35.735%0.34622%0.218SC..  trans50.142.9179.8-52.6-167.615400114.4S107 D144 G145 I178S107-E142 WeakPolarHBondContact CB-OE2 3.44Å; S107-E142 PolarHBondContact OG-OE2 2.98Å; E142-D144 VanDerWaalsContact C-OD1 3.31Å; E142-D144 WeakPolarHBondContact CA-OD1 3.48Å; E142-D144 PolarHBondContact O-N 3.18Å; E142-D144 VanDerWaalsContact O-N 3.15Å; E142-G145 PolarHBondContact O-N 3.15Å; E142-I178 PolarHBondContact N-O 2.86Å; E142-I178 VanDerWaalsContact N-O 3.15Å
143I92.3Very high89.3Confident0 Ų033.6 Ų33.60%020%0.199CC..G310 helixtrans-63.7-22.5-177.4-166.561.4000113L77 A106 V140 D141 G145 A146 V151 L154 C177 I178 C179 L187 L190L77-I143 HydrophobicContact CD1-CG2 3.93Å; A106-I143 HydrophobicContact CB-CD1 3.98Å; V140-I143 HydrophobicContact CG1-CD1 3.76Å; D141-I143 VanDerWaalsContact C-N 3.3Å; D141-I143 PolarHBondContact O-N 2.89Å; I143-G145 VanDerWaalsContact C-N 3.25Å; I143-G145 PolarHBondContact O-N 3.42Å; I143-A146 HydrophobicContact CD1-CB 3.81Å; I143-A146 VanDerWaalsContact O-CB 3.28Å; I143-A146 WeakPolarHBondContact O-CB 3.16Å; I143-A146 PolarHBondContact O-N 3.48Å; I143-V151 HydrophobicContact CD1-CG2 4.06Å; I143-V151 HydrophobicContact CG1-CG2 4.22Å; I143-L154 HydrophobicContact CD1-CD1 3.57Å; I143-L154 HydrophobicContact CG1-CD1 4.32Å; I143-C177 HydrophobicContact CB-CB 4.38Å; I143-C177 HydrophobicContact CG2-CB 4.04Å; I143-I178 WeakPolarHBondContact CG2-O 3.29Å; I143-I178 PolarHBondContact N-O 2.98Å; I143-C179 HydrophobicContact CG2-CB 3.89Å; I143-L187 HydrophobicContact CB-CD2 4.34Å; I143-L187 HydrophobicContact CG1-CD2 3.85Å; I143-L187 HydrophobicContact CG2-CD1 4.05Å; I143-L187 HydrophobicContact CG2-CD2 3.78Å; I143-L190 HydrophobicContact CG1-CD2 4.22Å
144D90.7Very high90.2Very high41 Ų4129.5 Ų29.522%0.21917%0.173CC..G310 helixtrans-65.5-25.5172.446.3-28.2000113.2E142 C179 N180 D181 A184 L187E142-D144 VanDerWaalsContact C-OD1 3.31Å; E142-D144 WeakPolarHBondContact CA-OD1 3.48Å; E142-D144 PolarHBondContact O-N 3.18Å; E142-D144 VanDerWaalsContact O-N 3.15Å; D144-C179 HydrophobicContact CB-CB 3.96Å; D144-C179 WeakPolarHBondContact OD1-CA 3.28Å; D144-N180 PolarHBondContact OD2-N 2.92Å; D144-D181 PolarHBondContact OD2-N 3.5Å; D144-A184 HydrophobicContact CB-CB 4.07Å; D144-L187 HydrophobicContact CB-CD1 4Å
145G87.9Confident90.7Very high49 Ų4924.8 Ų24.851%0.50515%0.153SC..G310 helixtrans-84.7-7.317200000114.3E142 I143E142-G145 PolarHBondContact O-N 3.15Å; I143-G145 VanDerWaalsContact C-N 3.25Å; I143-G145 PolarHBondContact O-N 3.42Å
146A88.1Confident90.9Very high8 Ų825.7 Ų25.77%0.06616%0.162CC..SBendtrans-77.1145.3-174.200000112.6A106 I143 A148 V151A106-A146 HydrophobicContact CB-CB 3.74Å; I143-A146 HydrophobicContact CD1-CB 3.81Å; I143-A146 VanDerWaalsContact O-CB 3.28Å; I143-A146 WeakPolarHBondContact O-CB 3.16Å; I143-A146 PolarHBondContact O-N 3.48Å; A146-A148 PolarHBondContact O-N 3.12Å; A146-V151 HydrophobicContact CB-CG2 4.03Å
147P87Confident90.8Very high49 Ų4925.8 Ų25.832%0.31816%0.162SC..  trans-57.3140.7171.7-23.933.3000112P149 S150 V151P147-P149 VanDerWaalsContact C-N 3.29Å; P147-P149 VanDerWaalsContact O-N 3.15Å; P147-S150 WeakPolarHBondContact O-CB 3.25Å; P147-S150 PolarHBondContact O-N 3.34Å; P147-V151 PolarHBondContact O-N 3.28Å
148A89.1Confident90.5Very high46 Ų4626.5 Ų26.538%0.3817%0.168SC..Hα-helixtrans-51.6-38178.900000114.4A146 S150 V151 N152 A186A146-A148 PolarHBondContact O-N 3.12Å; A148-S150 VanDerWaalsContact C-N 3.32Å; A148-S150 PolarHBondContact O-N 3.31Å; A148-V151 PolarHBondContact O-N 2.88Å; A148-N152 WeakPolarHBondContact O-CB 3.34Å; A148-N152 VanDerWaalsContact O-CG 3.23Å; A148-N152 PolarHBondContact O-N 2.8Å; A148-N152 PolarHBondContact O-ND2 3.47Å; A148-A186 HydrophobicContact CB-CB 4.29Å
149P89.9Confident90Very high72 Ų7232.7 Ų32.747%0.46820%0.195SC..Hα-helixtrans-58.4-38.9173.7-26.136.1000114.1L112 P147 N152 Y153L112-P149 HydrophobicContact CD1-CB 4.41Å; L112-P149 HydrophobicContact CD2-CB 4.17Å; P147-P149 VanDerWaalsContact C-N 3.29Å; P147-P149 VanDerWaalsContact O-N 3.15Å; P149-N152 PolarHBondContact O-N 3.4Å; P149-Y153 PolarHBondContact O-N 3.18Å
150S89.9Confident88.8Confident0 Ų034.5 Ų34.50%021%0.213CC..Hα-helixtrans-68.3-41.7179.2-59.80000111.5P147 A148 Y153 L154P147-S150 WeakPolarHBondContact O-CB 3.25Å; P147-S150 PolarHBondContact O-N 3.34Å; A148-S150 VanDerWaalsContact C-N 3.32Å; A148-S150 PolarHBondContact O-N 3.31Å; S150-Y153 WeakPolarHBondContact O-CB 3.15Å; S150-Y153 PolarHBondContact O-N 3.4Å; S150-L154 PolarHBondContact O-N 3.36Å
151V91Very high87Confident0 Ų037.8 Ų37.80%024%0.241CC..Hα-helixtrans-64.4-41.8173.6-174.60000110.9I143 A146 P147 A148 Y153 L154 V155 A186 L187 L190I143-V151 HydrophobicContact CD1-CG2 4.06Å; I143-V151 HydrophobicContact CG1-CG2 4.22Å; A146-V151 HydrophobicContact CB-CG2 4.03Å; P147-V151 PolarHBondContact O-N 3.28Å; A148-V151 PolarHBondContact O-N 2.88Å; V151-Y153 VanDerWaalsContact C-N 3.28Å; V151-Y153 PolarHBondContact O-N 2.95Å; V151-L154 WeakPolarHBondContact O-CB 3.42Å; V151-L154 PolarHBondContact O-N 3.01Å; V151-V155 WeakPolarHBondContact O-CG2 3.36Å; V151-V155 PolarHBondContact O-N 2.92Å; V151-A186 WeakPolarHBondContact CG1-O 3.12Å; V151-A186 HydrophobicContact CG2-CB 4.26Å; V151-L187 HydrophobicContact CG1-CD2 4.04Å; V151-L187 HydrophobicContact CG2-CD2 4.15Å; V151-L190 HydrophobicContact CG1-CB 3.95Å; V151-L190 HydrophobicContact CG1-CD2 4.22Å
152N90.4Very high85Confident80 Ų8038.4 Ų38.443%0.42825%0.245SC..Hα-helixtrans-63.2-34.7176.7-74.5-26.5000112.4A148 P149 V155 A156A148-N152 WeakPolarHBondContact O-CB 3.34Å; A148-N152 VanDerWaalsContact O-CG 3.23Å; A148-N152 PolarHBondContact O-N 2.8Å; A148-N152 PolarHBondContact O-ND2 3.47Å; P149-N152 PolarHBondContact O-N 3.4Å; N152-V155 PolarHBondContact O-N 3.3Å; N152-A156 WeakPolarHBondContact O-CB 3.46Å; N152-A156 PolarHBondContact O-N 3.15Å
153Y89.6Confident82.6Confident54 Ų5441.2 Ų41.221%0.21226%0.263CS..Hα-helixtrans-63.2-44.5173-179.8-105.6000112.1L112 F115 L119 S120 P149 S150 V151 V155 A156 L157L112-Y153 HydrophobicContact CD1-CG 4.5Å; F115-Y153 HydrophobicContact CD1-CD1 4.47Å; F115-Y153 HydrophobicContact CE1-CD1 4.42Å; L119-Y153 HydrophobicContact CD2-CD1 4.02Å; L119-Y153 HydrophobicContact CD2-CE1 3.89Å; S120-Y153 PolarHBondContact OG-OH 3.44Å; P149-Y153 PolarHBondContact O-N 3.18Å; S150-Y153 WeakPolarHBondContact O-CB 3.15Å; S150-Y153 PolarHBondContact O-N 3.4Å; V151-Y153 VanDerWaalsContact C-N 3.28Å; V151-Y153 PolarHBondContact O-N 2.95Å; Y153-V155 VanDerWaalsContact C-N 3.31Å; Y153-V155 PolarHBondContact O-N 2.99Å; Y153-A156 PolarHBondContact O-N 2.86Å; Y153-L157 HydrophobicContact CD1-CD1 3.89Å; Y153-L157 HydrophobicContact CE1-CD1 3.39Å; Y153-L157 HydrophobicContact CE1-CG 4.14Å; Y153-L157 WeakPolarHBondContact O-CG 3.26Å; Y153-L157 PolarHBondContact O-N 2.76Å
154L89.3Confident80.4Confident0 Ų051.5 Ų51.50%031%0.307CS..Hα-helixtrans-57.4-44.1171.7-82167.7000111.9F115 L119 I143 S150 V151 A156 L157 A158 I175F115-L154 HydrophobicContact CE1-CD1 4.17Å; F115-L154 HydrophobicContact CE1-CG 3.93Å; F115-L154 HydrophobicContact CZ-CD1 3.73Å; F115-L154 HydrophobicContact CZ-CD2 4.42Å; F115-L154 HydrophobicContact CZ-CG 3.91Å; L119-L154 HydrophobicContact CD1-CD2 4.33Å; L119-L154 HydrophobicContact CD2-CD2 3.4Å; L119-L154 HydrophobicContact CD2-CG 4.05Å; I143-L154 HydrophobicContact CD1-CD1 3.57Å; I143-L154 HydrophobicContact CG1-CD1 4.32Å; S150-L154 PolarHBondContact O-N 3.36Å; V151-L154 WeakPolarHBondContact O-CB 3.42Å; V151-L154 PolarHBondContact O-N 3.01Å; L154-A156 VanDerWaalsContact C-N 3.34Å; L154-A156 PolarHBondContact O-N 2.89Å; L154-L157 PolarHBondContact O-N 2.9Å; L154-A158 WeakPolarHBondContact O-CB 3.34Å; L154-A158 PolarHBondContact O-N 3.37Å; L154-I175 HydrophobicContact CD2-CD1 4.12Å; L154-I175 HydrophobicContact CD2-CG2 4.21Å
155V90.7Very high78.2Confident9 Ų959.8 Ų59.86%0.05534%0.342CS..Hα-helixtrans-62.2-42.4178170.60000111.3V151 N152 Y153 A158 K159 D189 L190 I193V151-V155 WeakPolarHBondContact O-CG2 3.36Å; V151-V155 PolarHBondContact O-N 2.92Å; N152-V155 PolarHBondContact O-N 3.3Å; Y153-V155 VanDerWaalsContact C-N 3.31Å; Y153-V155 PolarHBondContact O-N 2.99Å; V155-A158 PolarHBondContact O-N 3.15Å; V155-K159 HydrophobicContact CG1-CD 4.1Å; V155-K159 WeakPolarHBondContact O-CG 3.47Å; V155-K159 PolarHBondContact O-N 3.39Å; V155-D189 HydrophobicContact CG2-CB 4.45Å; V155-L190 HydrophobicContact CG2-CB 4Å; V155-L190 HydrophobicContact CG2-CD1 4.08Å; V155-I193 HydrophobicContact CB-CD1 4.2Å; V155-I193 HydrophobicContact CG1-CD1 3.92Å; V155-I193 HydrophobicContact CG2-CD1 4.21Å
156A88.8Confident76.2Confident32 Ų3259.8 Ų59.826%0.26433%0.333SS..Hα-helixtrans-64.1-41.9177.200000112.3N152 Y153 L154 K159 G160 A161 T162N152-A156 WeakPolarHBondContact O-CB 3.46Å; N152-A156 PolarHBondContact O-N 3.15Å; Y153-A156 PolarHBondContact O-N 2.86Å; L154-A156 VanDerWaalsContact C-N 3.34Å; L154-A156 PolarHBondContact O-N 2.89Å; A156-K159 PolarHBondContact O-N 2.91Å; A156-G160 PolarHBondContact O-N 2.85Å; A156-G160 VanDerWaalsContact O-N 3.14Å; A156-A161 PolarHBondContact O-N 2.97Å; A156-T162 HydrophobicContact CB-CG2 4.43Å
157L85.9Confident74.1Confident6 Ų670.7 Ų70.73%0.03137%0.373CS..Hα-helixtrans-62.7-44.4175.1-75.9174.1000112.1L119 L123 Y153 L154 K159 G160 T162L119-L157 HydrophobicContact CD2-CD1 3.5Å; L119-L157 VanDerWaalsContact CD2-CD1 3.5Å; L119-L157 HydrophobicContact CG-CD1 4.16Å; L123-L157 HydrophobicContact CD1-CD1 4.24Å; Y153-L157 HydrophobicContact CD1-CD1 3.89Å; Y153-L157 HydrophobicContact CE1-CD1 3.39Å; Y153-L157 HydrophobicContact CE1-CG 4.14Å; Y153-L157 WeakPolarHBondContact O-CG 3.26Å; Y153-L157 PolarHBondContact O-N 2.76Å; L154-L157 PolarHBondContact O-N 2.9Å; L157-K159 VanDerWaalsContact C-N 3.35Å; L157-K159 PolarHBondContact O-N 2.8Å; L157-G160 PolarHBondContact O-N 2.82Å; L157-G160 VanDerWaalsContact O-N 3.12Å; L157-T162 HydrophobicContact CD2-CG2 3.87Å; L157-T162 HydrophobicContact CG-CG2 4.41Å
158A86.1Confident72.3Confident15 Ų1573.5 Ų73.512%0.12439%0.394CS..Hα-helixtrans-66-36.1179.800000112.6K74 V75 L154 V155 G160 I193K74-A158 HydrophobicContact CB-CB 4.5Å; V75-A158 HydrophobicContact CG2-CB 3.72Å; L154-A158 WeakPolarHBondContact O-CB 3.34Å; L154-A158 PolarHBondContact O-N 3.37Å; V155-A158 PolarHBondContact O-N 3.15Å; A158-G160 VanDerWaalsContact C-N 3.27Å; A158-G160 PolarHBondContact O-N 3.03Å; A158-I193 HydrophobicContact CB-CD1 3.53Å
159K83.7Confident70.9Confident131 Ų13174.3 Ų74.357%0.5739%0.391SS*.Hα-helixtrans-74.1-15173.7-71.6176.5-179.5175.50113.4V155 A156 L157 A161 I193V155-K159 HydrophobicContact CG1-CD 4.1Å; V155-K159 WeakPolarHBondContact O-CG 3.47Å; V155-K159 PolarHBondContact O-N 3.39Å; A156-K159 PolarHBondContact O-N 2.91Å; L157-K159 VanDerWaalsContact C-N 3.35Å; L157-K159 PolarHBondContact O-N 2.8Å; K159-A161 VanDerWaalsContact C-N 3.27Å; K159-A161 HydrophobicContact CB-CB 4.29Å; K159-A161 PolarHBondContact O-N 2.81Å; K159-I193 HydrophobicContact CG-CD1 4.35Å
160G71.4Confident70Confident37 Ų3773.3 Ų73.338%0.38138%0.381SS..THydrogen-bonded Turntrans68.725.1-173.100000113.3A156 L157 A158 T162A156-G160 PolarHBondContact O-N 2.85Å; A156-G160 VanDerWaalsContact O-N 3.14Å; L157-G160 PolarHBondContact O-N 2.82Å; L157-G160 VanDerWaalsContact O-N 3.12Å; A158-G160 VanDerWaalsContact C-N 3.27Å; A158-G160 PolarHBondContact O-N 3.03Å; G160-T162 VanDerWaalsContact C-N 3.34Å
161A58.3Low69.5Low70 Ų7073.7 Ų73.758%0.57938%0.383SS*.  trans-88.94.8-174.300000113.7A156 K159 N163A156-A161 PolarHBondContact O-N 2.97Å; K159-A161 VanDerWaalsContact C-N 3.27Å; K159-A161 HydrophobicContact CB-CB 4.29Å; K159-A161 PolarHBondContact O-N 2.81Å; A161-N163 PolarHBondContact O-N 3.21Å
162T51.1Low69.2Low33 Ų3381.4 Ų81.420%0.20241%0.412CS..SBendtrans-70.793.4-177.647.80000110.8A156 L157 G160A156-T162 HydrophobicContact CB-CG2 4.43Å; L157-T162 HydrophobicContact CD2-CG2 3.87Å; L157-T162 HydrophobicContact CG-CG2 4.41Å; G160-T162 VanDerWaalsContact C-N 3.34Å
163N44.1Very low69Low133 Ų13379.2 Ų79.271%0.71140%0.398SS*.  trans47.6120.1170.6-74.1-24.9000116.6A161 K165 S166A161-N163 PolarHBondContact O-N 3.21Å; N163-K165 PolarHBondContact O-N 3.45Å; N163-S166 CarbonylContact O-C 3.54Å; N163-S166 WeakPolarHBondContact O-CA 3.47Å; N163-S166 PolarHBondContact O-N 2.99Å
164K45.1Very low69.1Low216 Ų21676.7 Ų76.794%0.93939%0.388SS*.THydrogen-bonded Turntrans-46.9-25.3174.7-81.1177.9174.8173.90115.6
165K45.1Very low69.4Low216 Ų21676.7 Ų76.794%0.93939%0.388SS*.THydrogen-bonded Turntrans-71.5-27.9173.7-91.3-176.7174.6175.80113.5N163 R167N163-K165 PolarHBondContact O-N 3.45Å; K165-R167 PolarHBondContact O-N 2.92Å
166S45.3Very low69.7Low48 Ų4876.2 Ų76.234%0.33639%0.385SS..  trans-101.862.2176.3-160.80000110.8N163 S168 M169N163-S166 CarbonylContact O-C 3.54Å; N163-S166 WeakPolarHBondContact O-CA 3.47Å; N163-S166 PolarHBondContact O-N 2.99Å; S166-S168 PolarHBondContact O-N 3.43Å; S166-M169 PolarHBondContact O-N 3.05Å
167R45.2Very low70.1Confident237 Ų23774.7 Ų74.789%0.89437%0.373SS*.THydrogen-bonded Turntrans-51.1-13160.2-128179.4-174.7165.30.8112.5K165K165-R167 PolarHBondContact O-N 2.92Å
168S48.9Very low70.6Confident109 Ų10974.4 Ų74.476%0.76237%0.371SS*.THydrogen-bonded Turntrans-83.1-26.7-173.6-173.50000114.8S166 L170S166-S168 PolarHBondContact O-N 3.43Å; S168-L170 VanDerWaalsContact C-N 3.31Å; S168-L170 PolarHBondContact O-N 3.24Å; S168-L170 VanDerWaalsContact O-N 3.13Å
169M58.6Low71Confident62 Ų6273.7 Ų73.731%0.30537%0.365SS..  trans-95.544.4-168.4-134-175.8-144.900114Q124 S166 L171Q124-M169 HydrophobicContact CG-CE 4.37Å; S166-M169 PolarHBondContact O-N 3.05Å; M169-L171 PolarHBondContact O-N 3.47Å
170L70.9Confident71.3Confident52 Ų5270.8 Ų70.827%0.27236%0.356SS..  trans-60.6126.2168.2-72.3169.5000109.1S168 R172S168-L170 VanDerWaalsContact C-N 3.31Å; S168-L170 PolarHBondContact O-N 3.24Å; S168-L170 VanDerWaalsContact O-N 3.13Å; L170-R172 WeakPolarHBondContact O-CG 3.26Å; L170-R172 PolarHBondContact O-N 3.42Å; L170-R172 VanDerWaalsContact O-N 3.07Å
171L81Confident72.1Confident8 Ų872.7 Ų72.74%0.04236%0.357CS..  trans-59.5115.1175-17564.2000109.8W18 R70 K74 L123 M169 R173 I175W18-L171 HydrophobicContact CH2-CD2 4.42Å; W18-L171 HydrophobicContact CH2-CG 4.26Å; R70-L171 WeakPolarHBondContact CD-O 3.33Å; R70-L171 PolarHBondContact NH1-O 3.1Å; K74-L171 HydrophobicContact CB-CD2 3.85Å; L123-L171 HydrophobicContact CD1-CD1 3.69Å; L123-L171 HydrophobicContact CD2-CD1 3.52Å; L123-L171 HydrophobicContact CG-CD1 4.22Å; M169-L171 PolarHBondContact O-N 3.47Å; L171-R173 WeakPolarHBondContact CD1-O 3.43Å; L171-R173 WeakPolarHBondContact CG-O 3.36Å; L171-I175 HydrophobicContact CD1-CD1 3.85Å; L171-I175 HydrophobicContact CD1-CG1 4.28Å; L171-I175 HydrophobicContact CD2-CD1 3.82Å; L171-I175 HydrophobicContact CD2-CG1 4.26Å
172R83.1Confident73.5Confident161 Ų16170.6 Ų70.661%0.60834%0.336SS*.  trans-116.215.4179.9-67-164.2-176.2-1552.5113.2V22 L170V22-R172 WeakPolarHBondContact CG2-O 3.25Å; L170-R172 WeakPolarHBondContact O-CG 3.26Å; L170-R172 PolarHBondContact O-N 3.42Å; L170-R172 VanDerWaalsContact O-N 3.07Å
173R87.2Confident75.3Confident35 Ų3577 Ų7713%0.13236%0.358CS..SBendtrans-135.2138.4178.4-58.2-67.4176-13016.1108.4L123 H136 L171L123-R173 HydrophobicContact CD2-CB 3.68Å; L123-R173 HydrophobicContact CD2-CG 4.28Å; H136-R173 VanDerWaalsContact O-CD 3.26Å; H136-R173 WeakPolarHBondContact O-CD 2.98Å; L171-R173 WeakPolarHBondContact CD1-O 3.43Å; L171-R173 WeakPolarHBondContact CG-O 3.36Å
174P92.3Very high77.3Confident0 Ų071.1 Ų71.10%033%0.328CS..  trans-66.3143.2174.926.2-31.9000110.8W14 L15 W18 Y99 C137 V138W14-P174 HydrophobicContact CH2-CB 3.66Å; W14-P174 HydrophobicContact CZ2-CB 4.45Å; W14-P174 HydrophobicContact CZ3-CB 4.02Å; L15-P174 HydrophobicContact CD2-CB 3.6Å; L15-P174 HydrophobicContact CD2-CG 3.63Å; W18-P174 HydrophobicContact CD2-CB 4.14Å; W18-P174 HydrophobicContact CG-CB 4.05Å; W18-P174 HydrophobicContact CG-CG 4.41Å; Y99-P174 HydrophobicContact CD1-CG 4.1Å; Y99-P174 HydrophobicContact CE1-CG 3.65Å; C137-P174 HydrophobicContact CB-CG 3.97Å; V138-P174 PolarHBondContact N-O 3.3Å
175I95Very high79.2Confident0 Ų066.7 Ų66.70%032%0.321CS..EExtended strand (participates in β ladder)trans-119.8126.9171.6-55.4174.8000108.2W14 V75 A76 L119 L123 V138 V140 L154 L171W14-I175 VanDerWaalsContact CH2-O 3.31Å; W14-I175 WeakPolarHBondContact CH2-O 3.48Å; V75-I175 WeakPolarHBondContact CA-O 3.28Å; V75-I175 HydrophobicContact CG1-CB 4.36Å; V75-I175 HydrophobicContact CG1-CG2 4.28Å; V75-I175 HydrophobicContact CG2-CB 4.26Å; A76-I175 PolarHBondContact N-O 2.87Å; L119-I175 HydrophobicContact CD1-CD1 4.33Å; L123-I175 HydrophobicContact CD1-CD1 4.4Å; L123-I175 HydrophobicContact CD2-CD1 4.3Å; L123-I175 HydrophobicContact CD2-CG1 4.21Å; V138-I175 HydrophobicContact CB-CG1 4.37Å; V138-I175 CarbonylContact O-C 3.51Å; V138-I175 WeakPolarHBondContact O-CA 3.26Å; V140-I175 HydrophobicContact CG2-CG2 4.08Å; L154-I175 HydrophobicContact CD2-CD1 4.12Å; L154-I175 HydrophobicContact CD2-CG2 4.21Å; L171-I175 HydrophobicContact CD1-CD1 3.85Å; L171-I175 HydrophobicContact CD1-CG1 4.28Å; L171-I175 HydrophobicContact CD2-CD1 3.82Å; L171-I175 HydrophobicContact CD2-CG1 4.26Å
176I97.2Very high81.2Confident0 Ų057.7 Ų57.70%029%0.287CS..EExtended strand (participates in β ladder)trans-111.8117.1172.9-57.2171.3000107.4L11 W14 L15 A76 L78 A90 V138 I139 V140L11-I176 HydrophobicContact CD1-CD1 4.15Å; L11-I176 HydrophobicContact CD1-CG1 4.38Å; W14-I176 HydrophobicContact CH2-CG1 4.21Å; W14-I176 HydrophobicContact CZ3-CD1 4.32Å; W14-I176 HydrophobicContact CZ3-CG1 3.73Å; L15-I176 HydrophobicContact CD1-CD1 4.1Å; L15-I176 HydrophobicContact CD2-CD1 4.49Å; A76-I176 CarbonylContact O-C 3.55Å; A76-I176 WeakPolarHBondContact O-CA 3.38Å; L78-I176 HydrophobicContact CD1-CG2 3.93Å; L78-I176 HydrophobicContact CG-CG2 3.96Å; A90-I176 HydrophobicContact CB-CD1 4.38Å; A90-I176 HydrophobicContact CB-CG2 4.01Å; V138-I176 PolarHBondContact O-N 2.92Å; I139-I176 CarbonylContact C-O 3.56Å; I139-I176 VanDerWaalsContact CA-O 3.26Å; I139-I176 WeakPolarHBondContact CA-O 3.43Å; I139-I176 HydrophobicContact CG1-CB 4.39Å; V140-I176 PolarHBondContact N-O 3.47Å
177C96.6Very high83.4Confident0 Ų055.4 Ų55.40%027%0.271CS..EExtended strand (participates in β ladder)trans-96.3143.2171.8-62.80000109.5V75 A76 L77 L78 V140 I143 L190V75-C177 HydrophobicContact CG1-CB 4.49Å; A76-C177 PolarHBondContact O-N 2.92Å; L77-C177 CarbonylContact C-O 3.59Å; L77-C177 WeakPolarHBondContact CA-O 3.39Å; L77-C177 HydrophobicContact CD1-CB 3.59Å; L78-C177 PolarHBondContact N-O 2.94Å; V140-C177 CarbonylContact O-C 3.57Å; V140-C177 WeakPolarHBondContact O-CA 3.48Å; I143-C177 HydrophobicContact CB-CB 4.38Å; I143-C177 HydrophobicContact CG2-CB 4.04Å; C177-L190 HydrophobicContact CB-CD2 4.36Å
178I96.5Very high85.5Confident0 Ų051 Ų510%025%0.254CS..EExtended strand (participates in β ladder)trans-123.8133.8178.3-56.8162.8000108L78 K86 T87 A90 I139 V140 D141 E142 I143L78-I178 HydrophobicContact CB-CG1 4.32Å; L78-I178 HydrophobicContact CD1-CG1 4.35Å; L78-I178 WeakPolarHBondContact O-CA 3.22Å; K86-I178 HydrophobicContact CB-CG2 3.75Å; K86-I178 HydrophobicContact CD-CG2 4.11Å; T87-I178 HydrophobicContact CG2-CD1 4.29Å; A90-I178 HydrophobicContact CB-CD1 4.03Å; I139-I178 HydrophobicContact CG2-CD1 3.53Å; I139-I178 HydrophobicContact CG2-CG1 4.33Å; V140-I178 PolarHBondContact O-N 3.45Å; D141-I178 WeakPolarHBondContact OD1-CB 3.37Å; D141-I178 WeakPolarHBondContact OD1-CG2 3.13Å; E142-I178 PolarHBondContact N-O 2.86Å; E142-I178 VanDerWaalsContact N-O 3.15Å; I143-I178 WeakPolarHBondContact CG2-O 3.29Å; I143-I178 PolarHBondContact N-O 2.98Å
179C93.7Very high87.5Confident0 Ų048.8 Ų48.80%023%0.234CC..EExtended strand (participates in β ladder)trans-137.8153.2175.956.70000110.5L78 S79 K86 I143 D144 L187L78-C179 PolarHBondContact O-N 2.71Å; L78-C179 PolarHBondContact O-SG 3.17Å; L78-C179 VanDerWaalsContact O-SG 3.37Å; S79-C179 WeakPolarHBondContact CA-O 3.29Å; K86-C179 VanDerWaalsContact CE-O 3.3Å; K86-C179 WeakPolarHBondContact CE-O 3.38Å; I143-C179 HydrophobicContact CG2-CB 3.89Å; D144-C179 HydrophobicContact CB-CB 3.96Å; D144-C179 WeakPolarHBondContact OD1-CA 3.28Å; C179-L187 HydrophobicContact CB-CD1 3.88Å
180N90.7Very high89Confident70 Ų7045.8 Ų45.837%0.37422%0.219SC..SBendtrans-89.1-43.1167.6-63.7-40.7000109.6K86 D144K86-N180 VanDerWaalsContact CE-OD1 3.31Å; K86-N180 WeakPolarHBondContact CE-OD1 3.48Å; K86-N180 PolarHBondContact NZ-OD1 2.85Å; D144-N180 PolarHBondContact OD2-N 2.92Å
181D88.3Confident90Very high76 Ų7646.3 Ų46.341%0.40622%0.218SC..  trans-102.7105.3174.8-178.215.1000112.4D144 Y183 A184D144-D181 PolarHBondContact OD2-N 3.5Å; D181-Y183 VanDerWaalsContact C-N 3.26Å; D181-Y183 PolarHBondContact O-N 3.14Å; D181-Y183 WeakPolarHBondContact OD1-CA 3.18Å; D181-Y183 PolarHBondContact OD1-N 3.45Å; D181-A184 PolarHBondContact OD2-N 3.33Å
182L87.9Confident90.3Very high27 Ų2750.4 Ų50.414%0.14123%0.232CC..THydrogen-bonded Turntrans-67.2-27.2175.2-177.361.4000112.4L77 R191 V196L77-L182 HydrophobicContact CD2-CD1 3.57Å; L77-L182 HydrophobicContact CG-CD1 4.28Å; L182-R191 HydrophobicContact CD1-CG 3.66Å; L182-R191 HydrophobicContact CG-CG 4.42Å; L182-R191 WeakPolarHBondContact O-CD 3.4Å; L182-R191 PolarHBondContact O-NE 3.11Å; L182-R191 PolarHBondContact O-NH1 3.01Å; L182-V196 HydrophobicContact CD1-CG1 3.81Å; L182-V196 HydrophobicContact CD2-CG1 3.83Å; L182-V196 HydrophobicContact CG-CG1 4.5Å
183Y88Confident90.6Very high168 Ų16844.3 Ų44.366%0.65921%0.211SC*.THydrogen-bonded Turntrans-91-0.6-171.9-62.4-82.3000114D181 R191D181-Y183 VanDerWaalsContact C-N 3.26Å; D181-Y183 PolarHBondContact O-N 3.14Å; D181-Y183 WeakPolarHBondContact OD1-CA 3.18Å; D181-Y183 PolarHBondContact OD1-N 3.45Å; Y183-R191 PolarHBondContact O-NH2 3.11Å
184A86.6Confident90.8Very high9 Ų942.8 Ų42.87%0.07421%0.207CC..  trans-45129.1173.300000111.4D144 D181 A186 L187D144-A184 HydrophobicContact CB-CB 4.07Å; D181-A184 PolarHBondContact OD2-N 3.33Å; A184-A186 VanDerWaalsContact C-N 3.25Å; A184-A186 PolarHBondContact O-N 3Å; A184-L187 HydrophobicContact CB-CD1 4.16Å; A184-L187 HydrophobicContact CB-CG 4.07Å; A184-L187 PolarHBondContact O-N 3.16Å
185P85.5Confident90.8Very high122 Ų12242.8 Ų42.879%0.79221%0.207SC*.G310 helixtrans-55.6-38-174.1-29.135.2000113.9L187 R188P185-L187 PolarHBondContact O-N 3.03Å; P185-R188 WeakPolarHBondContact O-CB 3.49Å; P185-R188 PolarHBondContact O-N 3.34Å
186A86.9Confident90.6Very high27 Ų2744.8 Ų44.822%0.22322%0.219CC..G310 helixtrans-60.5-29.9178.100000112.8A148 V151 A184 R188A148-A186 HydrophobicContact CB-CB 4.29Å; V151-A186 WeakPolarHBondContact CG1-O 3.12Å; V151-A186 HydrophobicContact CG2-CB 4.26Å; A184-A186 VanDerWaalsContact C-N 3.25Å; A184-A186 PolarHBondContact O-N 3Å; A186-R188 VanDerWaalsContact C-N 3.35Å; A186-R188 PolarHBondContact O-N 2.91Å
187L90.6Very high90.3Very high0 Ų045.1 Ų45.10%022%0.22CC..G310 helixtrans-85.2-2.8-177.4-56.1-173.4000113.8I143 D144 V151 C179 A184 P185 D189 L190 R191I143-L187 HydrophobicContact CB-CD2 4.34Å; I143-L187 HydrophobicContact CG1-CD2 3.85Å; I143-L187 HydrophobicContact CG2-CD1 4.05Å; I143-L187 HydrophobicContact CG2-CD2 3.78Å; D144-L187 HydrophobicContact CB-CD1 4Å; V151-L187 HydrophobicContact CG1-CD2 4.04Å; V151-L187 HydrophobicContact CG2-CD2 4.15Å; C179-L187 HydrophobicContact CB-CD1 3.88Å; A184-L187 HydrophobicContact CB-CD1 4.16Å; A184-L187 HydrophobicContact CB-CG 4.07Å; A184-L187 PolarHBondContact O-N 3.16Å; P185-L187 PolarHBondContact O-N 3.03Å; L187-D189 VanDerWaalsContact C-N 3.32Å; L187-D189 PolarHBondContact O-N 3.42Å; L187-L190 HydrophobicContact CD2-CD2 4.18Å; L187-L190 PolarHBondContact O-N 3.01Å; L187-L190 VanDerWaalsContact O-N 3.14Å; L187-R191 HydrophobicContact CB-CG 4.46Å; L187-R191 WeakPolarHBondContact O-CB 3.24Å; L187-R191 WeakPolarHBondContact O-CG 3.46Å; L187-R191 PolarHBondContact O-N 2.83Å
188R89.5Confident90Very high144 Ų14448.8 Ų48.854%0.54324%0.238SC..Hα-helixtrans-53.7-45.9-175.7-175.7-179.1-177.4-1771.7112.9P185 A186 R192P185-R188 WeakPolarHBondContact O-CB 3.49Å; P185-R188 PolarHBondContact O-N 3.34Å; A186-R188 VanDerWaalsContact C-N 3.35Å; A186-R188 PolarHBondContact O-N 2.91Å; R188-R192 WeakPolarHBondContact O-CB 3.21Å; R188-R192 WeakPolarHBondContact O-CG 3.46Å
189D91Very high89.7Confident63 Ų6348.8 Ų48.834%0.33724%0.238SC..Hα-helixtrans-81.4-25.6-179.3-72.3-33.3000113.1V155 L187 R192V155-D189 HydrophobicContact CG2-CB 4.45Å; L187-D189 VanDerWaalsContact C-N 3.32Å; L187-D189 PolarHBondContact O-N 3.42Å; D189-R192 VanDerWaalsContact O-CB 3.26Å; D189-R192 WeakPolarHBondContact O-CB 3.47Å; D189-R192 IonicContact OD1-CZ 3.27Å; D189-R192 IonicContact OD1-NH1 2.82Å; D189-R192 PolarHBondContact OD1-NH1 3.07Å
190L91.6Very high89.4Confident0 Ų050.1 Ų50.10%025%0.246CC..Hα-helixtrans-69.6-49.3173.5-176.662.2000111.5V75 L77 I143 V151 V155 C177 L187 R192 I193 A194V75-L190 HydrophobicContact CG1-CD1 4.28Å; L77-L190 HydrophobicContact CD1-CD2 4.34Å; I143-L190 HydrophobicContact CG1-CD2 4.22Å; V151-L190 HydrophobicContact CG1-CB 3.95Å; V151-L190 HydrophobicContact CG1-CD2 4.22Å; V155-L190 HydrophobicContact CG2-CB 4Å; V155-L190 HydrophobicContact CG2-CD1 4.08Å; C177-L190 HydrophobicContact CB-CD2 4.36Å; L187-L190 HydrophobicContact CD2-CD2 4.18Å; L187-L190 PolarHBondContact O-N 3.01Å; L187-L190 VanDerWaalsContact O-N 3.14Å; L190-R192 PolarHBondContact O-N 2.76Å; L190-I193 WeakPolarHBondContact O-CG1 3.46Å; L190-I193 PolarHBondContact O-N 3.38Å; L190-A194 HydrophobicContact CD1-CB 4.42Å; L190-A194 HydrophobicContact CG-CB 4.45Å; L190-A194 VanDerWaalsContact O-CB 3.23Å; L190-A194 WeakPolarHBondContact O-CB 3.22Å; L190-A194 PolarHBondContact O-N 3.06Å
191R90.5Very high89.2Confident63 Ų6350.1 Ų50.124%0.23825%0.25CC..Hα-helixtrans-50.8-35.3176-78.3-170.5-78.8177.1-11.3113.5L77 L182 Y183 L187 I193 V196L77-R191 HydrophobicContact CD2-CG 3.73Å; L182-R191 HydrophobicContact CD1-CG 3.66Å; L182-R191 HydrophobicContact CG-CG 4.42Å; L182-R191 WeakPolarHBondContact O-CD 3.4Å; L182-R191 PolarHBondContact O-NE 3.11Å; L182-R191 PolarHBondContact O-NH1 3.01Å; Y183-R191 PolarHBondContact O-NH2 3.11Å; L187-R191 HydrophobicContact CB-CG 4.46Å; L187-R191 WeakPolarHBondContact O-CB 3.24Å; L187-R191 WeakPolarHBondContact O-CG 3.46Å; L187-R191 PolarHBondContact O-N 2.83Å; R191-I193 VanDerWaalsContact C-N 3.33Å; R191-V196 HydrophobicContact CB-CG2 4.41Å
192R88.1Confident89.1Confident93 Ų9347.9 Ų47.935%0.35124%0.238SC..Hα-helixtrans-66-32.6-178.4-102.1-176.6-175.7176.3-5.9112.8Y48 R188 D189 L190Y48-R192 HydrophobicContact CE1-CB 4.39Å; Y48-R192 HydrophobicContact CE1-CG 3.79Å; Y48-R192 WeakPolarHBondContact CE2-O 3.47Å; Y48-R192 WeakPolarHBondContact OH-CA 3.34Å; Y48-R192 WeakPolarHBondContact OH-CB 3.47Å; Y48-R192 WeakPolarHBondContact OH-CG 3.42Å; Y48-R192 PolarHBondContact OH-O 3.34Å; R188-R192 WeakPolarHBondContact O-CB 3.21Å; R188-R192 WeakPolarHBondContact O-CG 3.46Å; D189-R192 VanDerWaalsContact O-CB 3.26Å; D189-R192 WeakPolarHBondContact O-CB 3.47Å; D189-R192 IonicContact OD1-CZ 3.27Å; D189-R192 IonicContact OD1-NH1 2.82Å; D189-R192 PolarHBondContact OD1-NH1 3.07Å; L190-R192 PolarHBondContact O-N 2.76Å
193I88.3Confident89.3Confident33 Ų3352 Ų5217%0.16926%0.256CS..Hα-helixtrans-115.8-4.4-17665.3156.6000113.8F73 V155 A158 K159 L190 R191F73-I193 WeakPolarHBondContact CD1-O 3.18Å; V155-I193 HydrophobicContact CB-CD1 4.2Å; V155-I193 HydrophobicContact CG1-CD1 3.92Å; V155-I193 HydrophobicContact CG2-CD1 4.21Å; A158-I193 HydrophobicContact CB-CD1 3.53Å; K159-I193 HydrophobicContact CG-CD1 4.35Å; L190-I193 WeakPolarHBondContact O-CG1 3.46Å; L190-I193 PolarHBondContact O-N 3.38Å; R191-I193 VanDerWaalsContact C-N 3.33Å
194A91.5Very high89.5Confident4 Ų445.6 Ų45.63%0.03324%0.235CC..SBendtrans-98.6154.5-17900000111.5V75 L77 L190 V196V75-A194 HydrophobicContact CB-CB 4.24Å; V75-A194 HydrophobicContact CG1-CB 4.38Å; V75-A194 CarbonylContact O-C 3.57Å; V75-A194 VanDerWaalsContact O-CA 3.28Å; V75-A194 WeakPolarHBondContact O-CA 3.42Å; L77-A194 HydrophobicContact CB-CB 3.99Å; L190-A194 HydrophobicContact CD1-CB 4.42Å; L190-A194 HydrophobicContact CG-CB 4.45Å; L190-A194 VanDerWaalsContact O-CB 3.23Å; L190-A194 WeakPolarHBondContact O-CB 3.22Å; L190-A194 PolarHBondContact O-N 3.06Å; A194-V196 PolarHBondContact O-N 3.37Å
195L92.2Very high89.8Confident0 Ų048.6 Ų48.60%025%0.247CC..EExtended strand (participates in β ladder)trans-75.498.9165.3174.563.3000108.4T10 W14 I56 L61 F73 V75 A76 L77 L197T10-L195 HydrophobicContact CG2-CD2 4.35Å; W14-L195 HydrophobicContact CB-CD2 3.58Å; W14-L195 HydrophobicContact CD2-CD2 4.33Å; W14-L195 HydrophobicContact CG-CD2 3.52Å; I56-L195 HydrophobicContact CB-CD1 3.69Å; I56-L195 HydrophobicContact CD1-CD1 3.88Å; I56-L195 HydrophobicContact CG1-CD1 4.35Å; I56-L195 HydrophobicContact CG2-CD1 3.66Å; L61-L195 HydrophobicContact CD1-CD1 3.92Å; L61-L195 HydrophobicContact CD1-CD2 4Å; F73-L195 HydrophobicContact CB-CB 3.87Å; F73-L195 HydrophobicContact CD2-CB 4.15Å; F73-L195 HydrophobicContact CD2-CD1 4.37Å; F73-L195 HydrophobicContact CG-CB 3.99Å; V75-L195 PolarHBondContact O-N 3.03Å; A76-L195 CarbonylContact C-O 3.6Å; A76-L195 WeakPolarHBondContact CA-O 3.37Å; A76-L195 HydrophobicContact CB-CB 4.48Å; L77-L195 PolarHBondContact N-O 3.38Å; L195-L197 HydrophobicContact CD1-CD2 4.19Å; L195-L197 HydrophobicContact CD2-CD1 4.47Å; L195-L197 HydrophobicContact CD2-CD2 4.41Å; L195-L197 HydrophobicContact CG-CD2 4.05Å; L195-L197 HydrophobicContact CG-CG 4.18Å
196V91.7Very high90.1Very high42 Ų4247 Ų4726%0.25523%0.225SC..EExtended strand (participates in β ladder)trans-79123.3179-1760000109.7L77 L182 R191 A194L77-V196 HydrophobicContact CB-CG2 4.49Å; L77-V196 HydrophobicContact CD2-CG2 4.36Å; L77-V196 WeakPolarHBondContact O-CA 3.48Å; L182-V196 HydrophobicContact CD1-CG1 3.81Å; L182-V196 HydrophobicContact CD2-CG1 3.83Å; L182-V196 HydrophobicContact CG-CG1 4.5Å; R191-V196 HydrophobicContact CB-CG2 4.41Å; A194-V196 PolarHBondContact O-N 3.37Å
197L91.6Very high90.5Very high6 Ų645.8 Ų45.83%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-121.8123.1174.7-56175.7000109T10 L11 L77 L78 S79 L195T10-L197 HydrophobicContact CG2-CD2 3.57Å; L11-L197 HydrophobicContact CB-CD1 3.76Å; L11-L197 HydrophobicContact CD1-CD1 4.07Å; L11-L197 HydrophobicContact CG-CD1 4.49Å; L77-L197 PolarHBondContact O-N 3.27Å; L78-L197 WeakPolarHBondContact CA-O 3.42Å; L78-L197 HydrophobicContact CD2-CB 3.76Å; L78-L197 HydrophobicContact CD2-CD1 3.82Å; L78-L197 HydrophobicContact CD2-CG 4.28Å; S79-L197 PolarHBondContact N-O 3.4Å; S79-L197 PolarHBondContact OG-O 2.67Å; L195-L197 HydrophobicContact CD1-CD2 4.19Å; L195-L197 HydrophobicContact CD2-CD1 4.47Å; L195-L197 HydrophobicContact CD2-CD2 4.41Å; L195-L197 HydrophobicContact CG-CD2 4.05Å; L195-L197 HydrophobicContact CG-CG 4.18Å
198H90.4Very high90.7Very high78 Ų7845.8 Ų45.836%0.36122%0.215SC..EExtended strand (participates in β ladder)trans-88.9131172.4-173.462.7000110S7 S79S7-H198 PolarHBondContact OG-O 3.24Å; S79-H198 CarbonylContact O-C 3.59Å
199V90.2Very high91Very high0 Ų043.1 Ų43.10%021%0.209CC..  trans-105.9103.3173.4-174.30000106.2F4 S79 I84 K86 M89F4-V199 HydrophobicContact CD2-CG1 3.58Å; F4-V199 HydrophobicContact CE2-CG1 3.23Å; F4-V199 HydrophobicContact CZ-CG1 4.14Å; S79-V199 PolarHBondContact O-N 3.39Å; I84-V199 HydrophobicContact CD1-CB 3.75Å; I84-V199 HydrophobicContact CD1-CG1 3.59Å; I84-V199 WeakPolarHBondContact CD1-O 3.32Å; I84-V199 HydrophobicContact CG1-CG1 4.08Å; K86-V199 HydrophobicContact CG-CB 4.42Å; K86-V199 HydrophobicContact CG-CG2 4.48Å; M89-V199 HydrophobicContact CE-CB 4.43Å; M89-V199 HydrophobicContact CE-CG1 3.65Å; M89-V199 HydrophobicContact CE-CG2 3.81Å; M89-V199 HydrophobicContact SD-CG2 4.07Å
200P86.5Confident91.2Very high28 Ų2846.9 Ų46.918%0.18222%0.218CC..PPolyproline II helixtrans-72.6157.5-177.531.8-37.6000111S3S3-P200 WeakPolarHBondContact OG-CG 3.04Å
201P85.6Confident91.3Very high69 Ų6947 Ų4745%0.44822%0.219SC..PPolyproline II helixtrans-59.9154.1169.826.9-33.9000111.3P81P81-P201 HydrophobicContact CG-CB 4.44Å
202L87.2Confident91.5Very high29 Ų2946 Ų4615%0.15222%0.218CC..PPolyproline II helixtrans-76.5147.2177.9-70.9176.2000111.3T204 L207 I238L202-T204 PolarHBondContact O-N 2.85Å; L202-L207 HydrophobicContact CB-CB 4.44Å; L202-L207 HydrophobicContact CD1-CD1 4.22Å; L202-I238 HydrophobicContact CD1-CD1 3.4Å; L202-I238 VanDerWaalsContact CD1-CD1 3.4Å; L202-I238 HydrophobicContact CD1-CG1 3.83Å; L202-I238 HydrophobicContact CG-CD1 4.37Å
203E91.6Very high91.9Very high115 Ų11546.3 Ų46.354%0.53722%0.223SC..PPolyproline II helixtrans-64.9130.3169.8-66.3164.5-145.900109.2M1 Q205 R206 L207M1-E203 PolarHBondContact N-OE1 2.71Å; M1-E203 VanDerWaalsContact N-OE1 3.1Å; E203-Q205 VanDerWaalsContact C-N 3.26Å; E203-Q205 PolarHBondContact O-N 2.89Å; E203-Q205 VanDerWaalsContact O-N 3.16Å; E203-R206 HydrophobicContact CB-CB 4.43Å; E203-R206 WeakPolarHBondContact O-CB 3.48Å; E203-R206 PolarHBondContact O-N 3.29Å; E203-L207 PolarHBondContact O-N 2.86Å
204T92.1Very high92.2Very high33 Ų3346.9 Ų46.920%0.20223%0.226CC..Hα-helixtrans-51.4-42.8-175.4-53.50000113.2L202 R206 L207 A208 R228 C231 Q232 N236L202-T204 PolarHBondContact O-N 2.85Å; T204-R206 VanDerWaalsContact C-N 3.34Å; T204-R206 PolarHBondContact O-N 3.43Å; T204-L207 PolarHBondContact O-N 2.97Å; T204-A208 WeakPolarHBondContact O-CB 3.31Å; T204-A208 PolarHBondContact O-N 2.95Å; T204-R228 HydrophobicContact CG2-CG 3.75Å; T204-C231 HydrophobicContact CG2-CB 3.66Å; T204-Q232 HydrophobicContact CG2-CG 3.68Å; T204-N236 WeakPolarHBondContact CA-OD1 3.28Å; T204-N236 WeakPolarHBondContact CB-OD1 3.49Å; T204-N236 PolarHBondContact OG1-ND2 3.39Å; T204-N236 PolarHBondContact OG1-OD1 2.84Å
205Q94Very high92.2Very high72 Ų7246.7 Ų46.734%0.33623%0.225SC..Hα-helixtrans-61.2-43.7179.5179.958.625.100111.8E203 A208 E209 R228E203-Q205 VanDerWaalsContact C-N 3.26Å; E203-Q205 PolarHBondContact O-N 2.89Å; E203-Q205 VanDerWaalsContact O-N 3.16Å; Q205-A208 PolarHBondContact O-N 3.43Å; Q205-E209 WeakPolarHBondContact CG-OE1 3.46Å; Q205-E209 PolarHBondContact NE2-OE1 3.22Å; Q205-E209 VanDerWaalsContact O-CG 3.32Å; Q205-E209 WeakPolarHBondContact O-CG 3.3Å; Q205-E209 PolarHBondContact O-N 2.92Å; Q205-R228 VanDerWaalsContact OE1-NE 3.09Å
206R91.9Very high92.2Very high88 Ų8852.7 Ų52.733%0.33225%0.253SS..Hα-helixtrans-69.5-37.4179.8-175.9177.1176-160.4-5.7112E203 T204 R210E203-R206 HydrophobicContact CB-CB 4.43Å; E203-R206 WeakPolarHBondContact O-CB 3.48Å; E203-R206 PolarHBondContact O-N 3.29Å; T204-R206 VanDerWaalsContact C-N 3.34Å; T204-R206 PolarHBondContact O-N 3.43Å; R206-R210 WeakPolarHBondContact O-CB 3.11Å; R206-R210 PolarHBondContact O-N 2.61Å
207L94.1Very high92.3Very high2 Ų254.6 Ų54.61%0.0127%0.268CS..Hα-helixtrans-65.1-45.8174.5-177.656.1000110.4L202 E203 T204 E209 R210 L211 C231 N236 I238L202-L207 HydrophobicContact CB-CB 4.44Å; L202-L207 HydrophobicContact CD1-CD1 4.22Å; E203-L207 PolarHBondContact O-N 2.86Å; T204-L207 PolarHBondContact O-N 2.97Å; L207-E209 PolarHBondContact O-N 2.9Å; L207-R210 PolarHBondContact O-N 2.79Å; L207-R210 VanDerWaalsContact O-N 3.11Å; L207-L211 HydrophobicContact CD1-CG 4.36Å; L207-L211 HydrophobicContact CG-CD1 4.35Å; L207-L211 HydrophobicContact CG-CG 4.48Å; L207-L211 WeakPolarHBondContact O-CG 3.44Å; L207-L211 PolarHBondContact O-N 3.21Å; L207-C231 HydrophobicContact CD2-CB 4.21Å; L207-C231 VanDerWaalsContact CG-SG 3.6Å; L207-N236 HydrophobicContact CD2-CB 3.91Å; L207-I238 HydrophobicContact CD1-CB 4.39Å; L207-I238 HydrophobicContact CD1-CG1 3.99Å; L207-I238 HydrophobicContact CD1-CG2 4.16Å
208A94.9Very high92.2Very high0 Ų060.5 Ų60.50%030%0.296CS..Hα-helixtrans-60.6-42.517700000112.5T204 Q205 R210 L211 L212 I224 L227 R228T204-A208 WeakPolarHBondContact O-CB 3.31Å; T204-A208 PolarHBondContact O-N 2.95Å; Q205-A208 PolarHBondContact O-N 3.43Å; A208-R210 VanDerWaalsContact C-N 3.33Å; A208-R210 PolarHBondContact O-N 2.93Å; A208-L211 PolarHBondContact O-N 2.67Å; A208-L212 WeakPolarHBondContact O-CB 3.28Å; A208-L212 PolarHBondContact O-N 3.24Å; A208-I224 HydrophobicContact CB-CG1 4.37Å; A208-L227 HydrophobicContact CB-CB 4.23Å; A208-R228 HydrophobicContact CB-CB 4.31Å
209E96.2Very high92.1Very high88 Ų8864.1 Ų64.141%0.41132%0.318SS..Hα-helixtrans-61.8-40173.2-74.8166.2-171.100112.1Q205 L207 L212 Q213 I224Q205-E209 WeakPolarHBondContact CG-OE1 3.46Å; Q205-E209 PolarHBondContact NE2-OE1 3.22Å; Q205-E209 VanDerWaalsContact O-CG 3.32Å; Q205-E209 WeakPolarHBondContact O-CG 3.3Å; Q205-E209 PolarHBondContact O-N 2.92Å; L207-E209 PolarHBondContact O-N 2.9Å; E209-L212 WeakPolarHBondContact O-CB 3.39Å; E209-L212 PolarHBondContact O-N 3.34Å; E209-Q213 WeakPolarHBondContact O-CG 3.24Å; E209-Q213 PolarHBondContact O-N 3.3Å; E209-Q213 VanDerWaalsContact O-N 3.12Å; E209-I224 HydrophobicContact CG-CD1 4.14Å
210R94.6Very high91.9Very high141 Ų14166.5 Ų66.553%0.53233%0.33SS..Hα-helixtrans-68.1-39.8176.3-179.156-178.4164.56.5112R206 L207 A208 L212 Q213 I214R206-R210 WeakPolarHBondContact O-CB 3.11Å; R206-R210 PolarHBondContact O-N 2.61Å; L207-R210 PolarHBondContact O-N 2.79Å; L207-R210 VanDerWaalsContact O-N 3.11Å; A208-R210 VanDerWaalsContact C-N 3.33Å; A208-R210 PolarHBondContact O-N 2.93Å; R210-L212 VanDerWaalsContact C-N 3.3Å; R210-Q213 PolarHBondContact O-N 2.76Å; R210-I214 HydrophobicContact CG-CD1 4.47Å; R210-I214 WeakPolarHBondContact O-CG1 3.32Å; R210-I214 PolarHBondContact O-N 2.67Å
211L94.5Very high92Very high2 Ų272.3 Ų72.31%0.0137%0.365CS..Hα-helixtrans-64-38.5174-68.6176.1000110.9L207 A208 Q213 I214 C215 L227 C231 C241 I242L207-L211 HydrophobicContact CD1-CG 4.36Å; L207-L211 HydrophobicContact CG-CD1 4.35Å; L207-L211 HydrophobicContact CG-CG 4.48Å; L207-L211 WeakPolarHBondContact O-CG 3.44Å; L207-L211 PolarHBondContact O-N 3.21Å; A208-L211 PolarHBondContact O-N 2.67Å; L211-Q213 VanDerWaalsContact C-N 3.33Å; L211-Q213 PolarHBondContact O-N 2.68Å; L211-I214 HydrophobicContact CD2-CD1 4.36Å; L211-I214 CarbonylContact O-C 3.57Å; L211-I214 WeakPolarHBondContact O-CA 3.18Å; L211-I214 WeakPolarHBondContact O-CB 3.48Å; L211-I214 PolarHBondContact O-N 3.28Å; L211-C215 PolarHBondContact O-N 2.83Å; L211-C215 PolarHBondContact O-SG 3.34Å; L211-L227 HydrophobicContact CB-CD1 4.14Å; L211-L227 HydrophobicContact CB-CD2 4.2Å; L211-C231 WeakPolarHBondContact CD1-SG 3.5Å; L211-C241 HydrophobicContact CD1-CB 3.88Å; L211-C241 HydrophobicContact CD2-CB 4.27Å; L211-I242 HydrophobicContact CD2-CG1 4Å
212L95.1Very high92.1Very high42 Ų4269.9 Ų69.922%0.2235%0.348CS..Hα-helixtrans-60.4-44176.4-175.863.8000111.4A208 E209 R210 I214 C215 E216 I222 I224 L227A208-L212 WeakPolarHBondContact O-CB 3.28Å; A208-L212 PolarHBondContact O-N 3.24Å; E209-L212 WeakPolarHBondContact O-CB 3.39Å; E209-L212 PolarHBondContact O-N 3.34Å; R210-L212 VanDerWaalsContact C-N 3.3Å; L212-I214 VanDerWaalsContact C-N 3.26Å; L212-I214 PolarHBondContact O-N 2.9Å; L212-C215 WeakPolarHBondContact O-CB 3.4Å; L212-C215 PolarHBondContact O-N 2.93Å; L212-C215 VanDerWaalsContact O-N 3.14Å; L212-E216 WeakPolarHBondContact O-CG 3.45Å; L212-E216 PolarHBondContact O-N 3.46Å; L212-I222 WeakPolarHBondContact CD1-O 3.25Å; L212-I224 HydrophobicContact CD2-CB 4.41Å; L212-I224 HydrophobicContact CD2-CD1 4.3Å; L212-L227 HydrophobicContact CB-CD1 3.81Å; L212-L227 HydrophobicContact CD1-CD1 4.06Å
213Q95.7Very high92.3Very high100 Ų10074.8 Ų74.847%0.46737%0.37SS..Hα-helixtrans-60.5-35.4173.7-69173.3-5.500112.8E209 R210 L211 S217E209-Q213 WeakPolarHBondContact O-CG 3.24Å; E209-Q213 PolarHBondContact O-N 3.3Å; E209-Q213 VanDerWaalsContact O-N 3.12Å; R210-Q213 PolarHBondContact O-N 2.76Å; L211-Q213 VanDerWaalsContact C-N 3.33Å; L211-Q213 PolarHBondContact O-N 2.68Å; Q213-S217 PolarHBondContact O-N 3.43Å; Q213-S217 VanDerWaalsContact O-N 3.09Å; Q213-S217 PolarHBondContact O-OG 3.34Å
214I93.9Very high92.4Very high45 Ų4572 Ų7223%0.23136%0.358CS..Hα-helixtrans-68.8-42.8175.6-66165.4000109.7R210 L211 L212 E216 S217 E218 I242R210-I214 HydrophobicContact CG-CD1 4.47Å; R210-I214 WeakPolarHBondContact O-CG1 3.32Å; R210-I214 PolarHBondContact O-N 2.67Å; L211-I214 HydrophobicContact CD2-CD1 4.36Å; L211-I214 CarbonylContact O-C 3.57Å; L211-I214 WeakPolarHBondContact O-CA 3.18Å; L211-I214 WeakPolarHBondContact O-CB 3.48Å; L211-I214 PolarHBondContact O-N 3.28Å; L212-I214 VanDerWaalsContact C-N 3.26Å; L212-I214 PolarHBondContact O-N 2.9Å; I214-E216 VanDerWaalsContact C-N 3.35Å; I214-E216 PolarHBondContact O-N 3.39Å; I214-S217 WeakPolarHBondContact CA-OG 3.36Å; I214-S217 PolarHBondContact O-N 2.93Å; I214-S217 PolarHBondContact O-OG 2.92Å; I214-E218 VanDerWaalsContact O-CG 3.29Å; I214-E218 WeakPolarHBondContact O-CG 3.06Å; I214-E218 PolarHBondContact O-N 3.49Å; I214-I242 HydrophobicContact CD1-CD1 4.48Å
215C91.6Very high92.4Very high1 Ų172.1 Ų72.11%0.00736%0.361CS..Hα-helixtrans-59.6-45.3174.7-64.30000111.6L211 L212 S217 E218 D219 L220L211-C215 PolarHBondContact O-N 2.83Å; L211-C215 PolarHBondContact O-SG 3.34Å; L212-C215 WeakPolarHBondContact O-CB 3.4Å; L212-C215 PolarHBondContact O-N 2.93Å; L212-C215 VanDerWaalsContact O-N 3.14Å; C215-S217 VanDerWaalsContact C-N 3.32Å; C215-S217 PolarHBondContact O-N 3.29Å; C215-E218 CarbonylContact O-C 3.48Å; C215-E218 PolarHBondContact O-N 3.28Å; C215-E218 VanDerWaalsContact O-N 3.12Å; C215-D219 PolarHBondContact O-N 2.99Å; C215-L220 HydrophobicContact CB-CB 3.96Å; C215-L220 PolarHBondContact O-N 3.23Å
216E92.9Very high92.2Very high125 Ų12568.9 Ų68.958%0.58435%0.346SS*.Hα-helixtrans-61.3-37.9177.1-72.3170.6176.500112.3L212 I214 E218 D219L212-E216 WeakPolarHBondContact O-CG 3.45Å; L212-E216 PolarHBondContact O-N 3.46Å; I214-E216 VanDerWaalsContact C-N 3.35Å; I214-E216 PolarHBondContact O-N 3.39Å; E216-E218 PolarHBondContact O-N 2.95Å; E216-D219 PolarHBondContact O-N 3.29Å
217S94.4Very high92.2Very high83 Ų8364.8 Ų64.858%0.5833%0.331SS*.Hα-helixtrans-72.1-17.3176.556.80000114.4Q213 I214 C215Q213-S217 PolarHBondContact O-N 3.43Å; Q213-S217 VanDerWaalsContact O-N 3.09Å; Q213-S217 PolarHBondContact O-OG 3.34Å; I214-S217 WeakPolarHBondContact CA-OG 3.36Å; I214-S217 PolarHBondContact O-N 2.93Å; I214-S217 PolarHBondContact O-OG 2.92Å; C215-S217 VanDerWaalsContact C-N 3.32Å; C215-S217 PolarHBondContact O-N 3.29Å
218E89.4Confident92.2Very high129 Ų12968.7 Ų68.760%0.60335%0.345SS*.THydrogen-bonded Turntrans-108.214.5-179.5-60.1-69.3155.800111.6I214 C215 E216 L220I214-E218 VanDerWaalsContact O-CG 3.29Å; I214-E218 WeakPolarHBondContact O-CG 3.06Å; I214-E218 PolarHBondContact O-N 3.49Å; C215-E218 CarbonylContact O-C 3.48Å; C215-E218 PolarHBondContact O-N 3.28Å; C215-E218 VanDerWaalsContact O-N 3.12Å; E216-E218 PolarHBondContact O-N 2.95Å; E218-L220 HydrophobicContact CB-CD1 4.04Å; E218-L220 HydrophobicContact CB-CG 4.04Å; E218-L220 PolarHBondContact O-N 3.42Å
219D87.5Confident91.9Very high155 Ų15569.9 Ų69.983%0.82935%0.354SS*.THydrogen-bonded Turntrans56.230.4-177.7-63.7-49.1000114.4C215 E216C215-D219 PolarHBondContact O-N 2.99Å; E216-D219 PolarHBondContact O-N 3.29Å
220L87.1Confident91.6Very high50 Ų5065.8 Ų65.826%0.26234%0.335SS..  trans-96.7121.9179.5-59.3174000111.5C215 E218 I222 V249C215-L220 HydrophobicContact CB-CB 3.96Å; C215-L220 PolarHBondContact O-N 3.23Å; E218-L220 HydrophobicContact CB-CD1 4.04Å; E218-L220 HydrophobicContact CB-CG 4.04Å; E218-L220 PolarHBondContact O-N 3.42Å; L220-I222 HydrophobicContact CB-CD1 4.35Å; L220-I222 HydrophobicContact CB-CG1 4.43Å; L220-I222 PolarHBondContact O-N 3.49Å; L220-V249 HydrophobicContact CD1-CB 4.49Å; L220-V249 HydrophobicContact CD1-CG1 4.1Å; L220-V249 HydrophobicContact CD1-CG2 3.68Å; L220-V249 HydrophobicContact CD2-CG1 3.63Å; L220-V249 HydrophobicContact CD2-CG2 4.21Å
221T87Confident91.4Very high149 Ų14959 Ų5991%0.91431%0.309SS*.  trans-92.391.4177.349.10000111.2
222I89.2Confident91.1Very high18 Ų1864.4 Ų64.49%0.09233%0.334CS..  trans-123.6134.2-179-56.6177.7000110.3L212 L220 V226 L227 L245 V249 V255L212-I222 WeakPolarHBondContact CD1-O 3.25Å; L220-I222 HydrophobicContact CB-CD1 4.35Å; L220-I222 HydrophobicContact CB-CG1 4.43Å; L220-I222 PolarHBondContact O-N 3.49Å; I222-V226 HydrophobicContact CG2-CB 4.19Å; I222-V226 HydrophobicContact CG2-CG1 4.3Å; I222-L227 HydrophobicContact CG2-CD2 3.88Å; I222-L227 HydrophobicContact CG2-CG 3.89Å; I222-L245 HydrophobicContact CD1-CD1 3.57Å; I222-V249 HydrophobicContact CD1-CG2 4.39Å; I222-V255 HydrophobicContact CD1-CB 4.03Å; I222-V255 HydrophobicContact CD1-CG2 3.86Å; I222-V255 HydrophobicContact CG1-CB 4.26Å; I222-V255 HydrophobicContact CG1-CG2 4.45Å
223Q90.8Very high90.5Very high132 Ų13266 Ų6662%0.61734%0.339SS*.  trans-70.3137.4178.3-64-175.5-4.700111.5S225 V226 L227Q223-S225 PolarHBondContact O-N 3.31Å; Q223-S225 VanDerWaalsContact O-N 3.1Å; Q223-S225 PolarHBondContact OE1-OG 2.78Å; Q223-V226 HydrophobicContact CB-CG2 4.11Å; Q223-V226 WeakPolarHBondContact O-CB 3.39Å; Q223-V226 PolarHBondContact O-N 2.9Å; Q223-L227 PolarHBondContact O-N 2.95Å
224I93.6Very high89.9Confident56 Ų5661.6 Ų61.629%0.28732%0.32SS..Hα-helixtrans-57.9-27.9176.7-165.2169.5000113.2A208 E209 L212 L227 R228A208-I224 HydrophobicContact CB-CG1 4.37Å; E209-I224 HydrophobicContact CG-CD1 4.14Å; L212-I224 HydrophobicContact CD2-CB 4.41Å; L212-I224 HydrophobicContact CD2-CD1 4.3Å; I224-L227 PolarHBondContact O-N 3.19Å; I224-R228 WeakPolarHBondContact O-CB 3.43Å; I224-R228 PolarHBondContact O-N 2.99Å
225S92.2Very high89.6Confident37 Ų3763.9 Ų63.926%0.25933%0.333SS..Hα-helixtrans-63.9-41.5175.559.40000111.6Q223 R228 S229 H257Q223-S225 PolarHBondContact O-N 3.31Å; Q223-S225 VanDerWaalsContact O-N 3.1Å; Q223-S225 PolarHBondContact OE1-OG 2.78Å; S225-R228 PolarHBondContact O-N 3.46Å; S225-S229 PolarHBondContact O-N 3.26Å; S225-H257 WeakPolarHBondContact CB-NE2 3.24Å; S225-H257 PolarHBondContact O-CE1 2.82Å; S225-H257 VanDerWaalsContact O-CE1 3.28Å; S225-H257 PolarHBondContact OG-NE2 3.03Å
226V89.8Confident89.5Confident4 Ų465.2 Ų65.22%0.02434%0.34CS..Hα-helixtrans-66.1-46176.8-179.30000109.9I222 Q223 R228 S229 L230 V255 H257 V260I222-V226 HydrophobicContact CG2-CB 4.19Å; I222-V226 HydrophobicContact CG2-CG1 4.3Å; Q223-V226 HydrophobicContact CB-CG2 4.11Å; Q223-V226 WeakPolarHBondContact O-CB 3.39Å; Q223-V226 PolarHBondContact O-N 2.9Å; V226-R228 VanDerWaalsContact C-N 3.3Å; V226-R228 PolarHBondContact O-N 3.4Å; V226-S229 WeakPolarHBondContact O-CB 3.47Å; V226-S229 PolarHBondContact O-N 3.31Å; V226-S229 VanDerWaalsContact O-N 3.17Å; V226-L230 PolarHBondContact O-N 3.4Å; V226-V255 HydrophobicContact CG1-CG1 4Å; V226-H257 VanDerWaalsContact CG2-CD2 3.44Å; V226-H257 WeakPolarHBondContact CG2-CD2 3.28Å; V226-H257 WeakPolarHBondContact CG2-NE2 2.97Å; V226-H257 PolarHBondContact N-CE1 2.92Å; V226-H257 PolarHBondContact N-NE2 3.43Å; V226-V260 HydrophobicContact CG1-CG2 3.6Å
227L92.4Very high89.3Confident1 Ų160.3 Ų60.31%0.00532%0.318CS..Hα-helixtrans-61.3-37.7176.4-64.3176.5000112.3A208 L211 L212 I222 Q223 I224 L230 C231 L245A208-L227 HydrophobicContact CB-CB 4.23Å; L211-L227 HydrophobicContact CB-CD1 4.14Å; L211-L227 HydrophobicContact CB-CD2 4.2Å; L212-L227 HydrophobicContact CB-CD1 3.81Å; L212-L227 HydrophobicContact CD1-CD1 4.06Å; I222-L227 HydrophobicContact CG2-CD2 3.88Å; I222-L227 HydrophobicContact CG2-CG 3.89Å; Q223-L227 PolarHBondContact O-N 2.95Å; I224-L227 PolarHBondContact O-N 3.19Å; L227-L230 WeakPolarHBondContact O-CB 3.26Å; L227-L230 PolarHBondContact O-N 3.01Å; L227-C231 PolarHBondContact O-N 3.45Å; L227-C231 PolarHBondContact O-SG 2.88Å; L227-L245 HydrophobicContact CD2-CD1 4.2Å
228R93.5Very high89.3Confident84 Ų8458.3 Ų58.332%0.31730%0.3SS..Hα-helixtrans-64.8-43.6175-168.8-175.3-63.1121.6-0.7111.7T204 Q205 A208 I224 S225 V226 L230 C231 Q232T204-R228 HydrophobicContact CG2-CG 3.75Å; Q205-R228 VanDerWaalsContact OE1-NE 3.09Å; A208-R228 HydrophobicContact CB-CB 4.31Å; I224-R228 WeakPolarHBondContact O-CB 3.43Å; I224-R228 PolarHBondContact O-N 2.99Å; S225-R228 PolarHBondContact O-N 3.46Å; V226-R228 VanDerWaalsContact C-N 3.3Å; V226-R228 PolarHBondContact O-N 3.4Å; R228-L230 VanDerWaalsContact C-N 3.32Å; R228-C231 PolarHBondContact O-N 2.99Å; R228-Q232 WeakPolarHBondContact O-CG 3.34Å; R228-Q232 PolarHBondContact O-N 2.88Å
229S88.7Confident89.4Confident25 Ų2558.6 Ų58.618%0.17530%0.296CS..Hα-helixtrans-60.3-43.8175.3-173.30000111S225 V226 C231 Q232 K233S225-S229 PolarHBondContact O-N 3.26Å; V226-S229 WeakPolarHBondContact O-CB 3.47Å; V226-S229 PolarHBondContact O-N 3.31Å; V226-S229 VanDerWaalsContact O-N 3.17Å; S229-C231 PolarHBondContact O-N 2.67Å; S229-Q232 PolarHBondContact O-N 2.89Å; S229-K233 PolarHBondContact O-N 2.95Å
230L88.8Confident89.5Confident2 Ų253.2 Ų53.21%0.0127%0.27CS..Hα-helixtrans-59.3-48.3175.4178.569.9000111.9V226 L227 R228 Q232 K233 A234 T244 L245 V260 L263 F265V226-L230 PolarHBondContact O-N 3.4Å; L227-L230 WeakPolarHBondContact O-CB 3.26Å; L227-L230 PolarHBondContact O-N 3.01Å; R228-L230 VanDerWaalsContact C-N 3.32Å; L230-Q232 VanDerWaalsContact C-N 3.31Å; L230-Q232 PolarHBondContact O-N 3.16Å; L230-K233 PolarHBondContact O-N 3.18Å; L230-A234 WeakPolarHBondContact O-CB 3.5Å; L230-A234 PolarHBondContact O-N 2.59Å; L230-T244 HydrophobicContact CD1-CG2 3.42Å; L230-T244 VanDerWaalsContact CD1-CG2 3.42Å; L230-L245 HydrophobicContact CD2-CB 4.16Å; L230-V260 HydrophobicContact CB-CG1 4.18Å; L230-V260 HydrophobicContact CB-CG2 4.36Å; L230-V260 HydrophobicContact CD1-CG1 4.47Å; L230-L263 HydrophobicContact CD1-CD1 4.02Å; L230-F265 HydrophobicContact CD1-CZ 3.86Å
231C91.2Very high89.7Confident0 Ų050.9 Ų50.90%026%0.258CS..Hα-helixtrans-59.8-41.3178-67.30000112.3T204 L207 L211 L227 R228 S229 A234 D235 N236T204-C231 HydrophobicContact CG2-CB 3.66Å; L207-C231 HydrophobicContact CD2-CB 4.21Å; L207-C231 VanDerWaalsContact CG-SG 3.6Å; L211-C231 WeakPolarHBondContact CD1-SG 3.5Å; L227-C231 PolarHBondContact O-N 3.45Å; L227-C231 PolarHBondContact O-SG 2.88Å; R228-C231 PolarHBondContact O-N 2.99Å; S229-C231 PolarHBondContact O-N 2.67Å; C231-A234 PolarHBondContact O-N 3.16Å; C231-D235 PolarHBondContact O-N 3.05Å; C231-N236 PolarHBondContact O-N 3.33Å
232Q88.1Confident89.9Confident115 Ų11547 Ų4754%0.53723%0.231SC..Hα-helixtrans-65.3-41.6178.3-73.6175.4-10.500111.7T204 R228 S229 L230 D235T204-Q232 HydrophobicContact CG2-CG 3.68Å; R228-Q232 WeakPolarHBondContact O-CG 3.34Å; R228-Q232 PolarHBondContact O-N 2.88Å; S229-Q232 PolarHBondContact O-N 2.89Å; L230-Q232 VanDerWaalsContact C-N 3.31Å; L230-Q232 PolarHBondContact O-N 3.16Å; Q232-D235 PolarHBondContact O-N 3.41Å
233K82.2Confident89.8Confident74 Ų7449.9 Ų49.932%0.32225%0.247SC..Hα-helixtrans-70.3-32.9177.4-73.7-163.8163.9-1590113.4S229 L230 D235 V260 E261 L263 F265S229-K233 PolarHBondContact O-N 2.95Å; L230-K233 PolarHBondContact O-N 3.18Å; K233-D235 PolarHBondContact O-N 2.76Å; K233-V260 HydrophobicContact CD-CG1 4.06Å; K233-V260 WeakPolarHBondContact CD-O 3.48Å; K233-V260 VanDerWaalsContact CE-O 3.28Å; K233-V260 WeakPolarHBondContact CE-O 3.41Å; K233-V260 PolarHBondContact NZ-O 3.26Å; K233-E261 VanDerWaalsContact NZ-C 3.26Å; K233-E261 PolarHBondContact NZ-O 3.41Å; K233-L263 PolarHBondContact NZ-O 2.95Å; K233-F265 HydrophobicContact CB-CD2 3.91Å; K233-F265 HydrophobicContact CB-CE2 3.21Å; K233-F265 HydrophobicContact CB-CZ 3.79Å; K233-F265 HydrophobicContact CD-CD2 4.41Å; K233-F265 HydrophobicContact CD-CE2 3.79Å; K233-F265 HydrophobicContact CG-CE2 4.18Å
234A83.8Confident89.6Confident8 Ų844.4 Ų44.47%0.06622%0.222CC..THydrogen-bonded Turntrans-83.411.8177.600000113.5L230 C231 N236 D237 C241 F265L230-A234 WeakPolarHBondContact O-CB 3.5Å; L230-A234 PolarHBondContact O-N 2.59Å; C231-A234 PolarHBondContact O-N 3.16Å; A234-N236 PolarHBondContact O-N 3.27Å; A234-D237 WeakPolarHBondContact O-CB 3.48Å; A234-D237 PolarHBondContact O-N 2.98Å; A234-C241 WeakPolarHBondContact CB-SG 3.32Å; A234-F265 HydrophobicContact CB-CD1 4.31Å; A234-F265 HydrophobicContact CB-CE1 3.52Å; A234-F265 HydrophobicContact CB-CZ 3.89Å
235D86.5Confident89.3Confident94 Ų9442.3 Ų42.350%0.50321%0.211SC..THydrogen-bonded Turntrans5228.7-176.1-69.8-39.5000114.2C231 Q232 K233 D237C231-D235 PolarHBondContact O-N 3.05Å; Q232-D235 PolarHBondContact O-N 3.41Å; K233-D235 PolarHBondContact O-N 2.76Å; D235-D237 PolarHBondContact O-N 3.25Å
236N89.4Confident89Confident29 Ų2946.1 Ų46.116%0.15523%0.225CC..THydrogen-bonded Turntrans58.724.3-173.2-46.4-71.4000115.1T204 L207 C231 A234 I238T204-N236 WeakPolarHBondContact CA-OD1 3.28Å; T204-N236 WeakPolarHBondContact CB-OD1 3.49Å; T204-N236 PolarHBondContact OG1-ND2 3.39Å; T204-N236 PolarHBondContact OG1-OD1 2.84Å; L207-N236 HydrophobicContact CD2-CB 3.91Å; C231-N236 PolarHBondContact O-N 3.33Å; A234-N236 PolarHBondContact O-N 3.27Å; N236-I238 PolarHBondContact O-N 2.96Å
237D90.6Very high88.7Confident22 Ų2251.5 Ų51.512%0.11825%0.253CS..  trans-69.6116165.3-179.6-38.5000109.1G83 A234 D235 R239 S240 C241G83-D237 VanDerWaalsContact CA-OD1 3.32Å; G83-D237 WeakPolarHBondContact CA-OD1 3.25Å; A234-D237 WeakPolarHBondContact O-CB 3.48Å; A234-D237 PolarHBondContact O-N 2.98Å; D235-D237 PolarHBondContact O-N 3.25Å; D237-R239 PolarHBondContact O-N 3.46Å; D237-R239 WeakPolarHBondContact OD1-CA 3.46Å; D237-R239 WeakPolarHBondContact OD1-CB 3.41Å; D237-R239 PolarHBondContact OD1-N 3.16Å; D237-S240 VanDerWaalsContact CG-OG 3.29Å; D237-S240 PolarHBondContact O-N 3.34Å; D237-S240 PolarHBondContact OD1-N 3.02Å; D237-S240 PolarHBondContact OD1-OG 3.34Å; D237-S240 PolarHBondContact OD2-OG 2.98Å; D237-C241 WeakPolarHBondContact O-CB 3.32Å; D237-C241 PolarHBondContact O-N 3.3Å; D237-C241 PolarHBondContact O-SG 3.36Å
238I93.3Very high88.2Confident41 Ų4152.3 Ų52.321%0.2126%0.257CS..Hα-helixtrans-65.1-41.9-175.9-48.9174.2000110.8G83 L202 L207 N236 C241 I242G83-I238 WeakPolarHBondContact O-CB 3.44Å; G83-I238 PolarHBondContact O-N 3.46Å; L202-I238 HydrophobicContact CD1-CD1 3.4Å; L202-I238 VanDerWaalsContact CD1-CD1 3.4Å; L202-I238 HydrophobicContact CD1-CG1 3.83Å; L202-I238 HydrophobicContact CG-CD1 4.37Å; L207-I238 HydrophobicContact CD1-CB 4.39Å; L207-I238 HydrophobicContact CD1-CG1 3.99Å; L207-I238 HydrophobicContact CD1-CG2 4.16Å; N236-I238 PolarHBondContact O-N 2.96Å; I238-C241 PolarHBondContact O-N 3.46Å; I238-I242 HydrophobicContact CG2-CD1 3.8Å; I238-I242 HydrophobicContact CG2-CG1 4.43Å; I238-I242 WeakPolarHBondContact O-CB 2.94Å; I238-I242 VanDerWaalsContact O-CG1 3.25Å; I238-I242 WeakPolarHBondContact O-CG1 3.48Å; I238-I242 PolarHBondContact O-N 3.4Å
239R91.9Very high87.6Confident135 Ų13550.5 Ų50.551%0.50926%0.256SS..Hα-helixtrans-65.4-47.5-179-173-168.7-60.4130.1-11.5109.7G83 D237 I242 N243G83-R239 PolarHBondContact O-N 2.84Å; D237-R239 PolarHBondContact O-N 3.46Å; D237-R239 WeakPolarHBondContact OD1-CA 3.46Å; D237-R239 WeakPolarHBondContact OD1-CB 3.41Å; D237-R239 PolarHBondContact OD1-N 3.16Å; R239-I242 PolarHBondContact O-N 3.35Å; R239-N243 WeakPolarHBondContact O-CB 3.45Å; R239-N243 VanDerWaalsContact O-CG 3.24Å; R239-N243 PolarHBondContact O-N 3.44Å
240S89.1Confident87.1Confident42 Ų4254 Ų5429%0.29428%0.279SS..Hα-helixtrans-61.4-45176.5-62.40000111D237 I242 N243 T244D237-S240 VanDerWaalsContact CG-OG 3.29Å; D237-S240 PolarHBondContact O-N 3.34Å; D237-S240 PolarHBondContact OD1-N 3.02Å; D237-S240 PolarHBondContact OD1-OG 3.34Å; D237-S240 PolarHBondContact OD2-OG 2.98Å; S240-I242 PolarHBondContact O-N 2.98Å; S240-N243 PolarHBondContact O-N 2.91Å; S240-T244 WeakPolarHBondContact O-CB 3.46Å; S240-T244 PolarHBondContact O-N 2.92Å; S240-T244 PolarHBondContact O-OG1 3.26Å
241C91Very high86.2Confident0 Ų058 Ų580%031%0.307CS..Hα-helixtrans-57.1-47.5175-70.60000112.7L211 A234 D237 I238 L245L211-C241 HydrophobicContact CD1-CB 3.88Å; L211-C241 HydrophobicContact CD2-CB 4.27Å; A234-C241 WeakPolarHBondContact CB-SG 3.32Å; D237-C241 WeakPolarHBondContact O-CB 3.32Å; D237-C241 PolarHBondContact O-N 3.3Å; D237-C241 PolarHBondContact O-SG 3.36Å; I238-C241 PolarHBondContact O-N 3.46Å; C241-L245 WeakPolarHBondContact O-CB 3.27Å; C241-L245 PolarHBondContact O-N 3.01Å
242I91.6Very high84.9Confident68 Ų6861.4 Ų61.435%0.34934%0.342SS..Hα-helixtrans-65.9-47.7-179.3-69.6169.9000110.6L211 I214 I238 R239 S240 T244 L245 Q246L211-I242 HydrophobicContact CD2-CG1 4Å; I214-I242 HydrophobicContact CD1-CD1 4.48Å; I238-I242 HydrophobicContact CG2-CD1 3.8Å; I238-I242 HydrophobicContact CG2-CG1 4.43Å; I238-I242 WeakPolarHBondContact O-CB 2.94Å; I238-I242 VanDerWaalsContact O-CG1 3.25Å; I238-I242 WeakPolarHBondContact O-CG1 3.48Å; I238-I242 PolarHBondContact O-N 3.4Å; R239-I242 PolarHBondContact O-N 3.35Å; S240-I242 PolarHBondContact O-N 2.98Å; I242-T244 PolarHBondContact O-N 3.38Å; I242-L245 PolarHBondContact O-N 3.03Å; I242-Q246 WeakPolarHBondContact O-CB 3.49Å; I242-Q246 PolarHBondContact O-N 3.47Å
243N87.6Confident83.6Confident79 Ų7959.8 Ų59.842%0.42234%0.343SS..Hα-helixtrans-64.2-42.6-179.2-71.4-7.3000111.3R239 S240 Q246 L247R239-N243 WeakPolarHBondContact O-CB 3.45Å; R239-N243 VanDerWaalsContact O-CG 3.24Å; R239-N243 PolarHBondContact O-N 3.44Å; S240-N243 PolarHBondContact O-N 2.91Å; N243-Q246 WeakPolarHBondContact O-CB 3.44Å; N243-Q246 PolarHBondContact O-N 3.15Å; N243-L247 VanDerWaalsContact O-CG 3.32Å; N243-L247 WeakPolarHBondContact O-CG 3.33Å; N243-L247 PolarHBondContact O-N 3.3Å
244T86.2Confident83.1Confident17 Ų1762 Ų6210%0.10436%0.363CS..Hα-helixtrans-64.7-42.5175.9-61.80000111.4L230 S240 I242 Q246 L247 L248 L263 F265L230-T244 HydrophobicContact CD1-CG2 3.42Å; L230-T244 VanDerWaalsContact CD1-CG2 3.42Å; S240-T244 WeakPolarHBondContact O-CB 3.46Å; S240-T244 PolarHBondContact O-N 2.92Å; S240-T244 PolarHBondContact O-OG1 3.26Å; I242-T244 PolarHBondContact O-N 3.38Å; T244-Q246 VanDerWaalsContact C-N 3.32Å; T244-Q246 PolarHBondContact O-N 3.23Å; T244-L247 PolarHBondContact O-N 2.83Å; T244-L248 HydrophobicContact CG2-CD1 4.43Å; T244-L248 WeakPolarHBondContact O-CG 3.48Å; T244-L248 PolarHBondContact O-N 2.79Å; T244-L263 HydrophobicContact CG2-CD1 3.15Å; T244-L263 HydrophobicContact CG2-CD2 4.29Å; T244-L263 HydrophobicContact CG2-CG 4.31Å; T244-F265 HydrophobicContact CG2-CE1 4.14Å; T244-F265 HydrophobicContact CG2-CZ 4.13Å; T244-F265 WeakPolarHBondContact OG1-CE1 3.33Å
245L87.3Confident82.6Confident11 Ų1162.6 Ų62.66%0.05837%0.366CS..Hα-helixtrans-60.1-43.9174.4-179.562.7000111.4I222 L227 L230 C241 I242 L247 L248 V249I222-L245 HydrophobicContact CD1-CD1 3.57Å; L227-L245 HydrophobicContact CD2-CD1 4.2Å; L230-L245 HydrophobicContact CD2-CB 4.16Å; C241-L245 WeakPolarHBondContact O-CB 3.27Å; C241-L245 PolarHBondContact O-N 3.01Å; I242-L245 PolarHBondContact O-N 3.03Å; L245-L247 PolarHBondContact O-N 2.67Å; L245-L248 PolarHBondContact O-N 3.1Å; L245-V249 HydrophobicContact CD1-CG2 4.33Å; L245-V249 VanDerWaalsContact O-CG2 3.27Å; L245-V249 WeakPolarHBondContact O-CG2 3.48Å; L245-V249 PolarHBondContact O-N 3.27Å
246Q85.4Confident82.2Confident118 Ų11860.6 Ų60.655%0.55136%0.357SS*.Hα-helixtrans-59.2-45.2175.2-175.5179.25.500111.3I242 N243 T244 L248 V249 C250I242-Q246 WeakPolarHBondContact O-CB 3.49Å; I242-Q246 PolarHBondContact O-N 3.47Å; N243-Q246 WeakPolarHBondContact O-CB 3.44Å; N243-Q246 PolarHBondContact O-N 3.15Å; T244-Q246 VanDerWaalsContact C-N 3.32Å; T244-Q246 PolarHBondContact O-N 3.23Å; Q246-L248 PolarHBondContact O-N 2.91Å; Q246-V249 PolarHBondContact O-N 3.17Å; Q246-C250 WeakPolarHBondContact O-CB 3.45Å; Q246-C250 PolarHBondContact O-N 2.97Å; Q246-C250 PolarHBondContact O-SG 3.39Å
247L83.6Confident81.5Confident116 Ų11662.6 Ų62.661%0.60737%0.365SS*.Hα-helixtrans-62.1-41.5177.1-71.8170.2000112.7N243 T244 L245 S251N243-L247 VanDerWaalsContact O-CG 3.32Å; N243-L247 WeakPolarHBondContact O-CG 3.33Å; N243-L247 PolarHBondContact O-N 3.3Å; T244-L247 PolarHBondContact O-N 2.83Å; L245-L247 PolarHBondContact O-N 2.67Å; L247-S251 PolarHBondContact O-N 3.43Å; L247-S251 VanDerWaalsContact O-N 3.17Å; L247-S251 PolarHBondContact O-OG 2.93Å
248L83.1Confident80.7Confident18 Ų1864.1 Ų64.19%0.09438%0.377CS..Hα-helixtrans-63.8-44.4177.7-70.2173.5000111.4T244 L245 Q246 S251 V255 D259 V260 L263T244-L248 HydrophobicContact CG2-CD1 4.43Å; T244-L248 WeakPolarHBondContact O-CG 3.48Å; T244-L248 PolarHBondContact O-N 2.79Å; L245-L248 PolarHBondContact O-N 3.1Å; Q246-L248 PolarHBondContact O-N 2.91Å; L248-S251 WeakPolarHBondContact O-CB 3.45Å; L248-S251 PolarHBondContact O-N 3.26Å; L248-V255 HydrophobicContact CB-CG1 4.25Å; L248-V255 HydrophobicContact CB-CG2 3.94Å; L248-V255 HydrophobicContact CD1-CG1 3.7Å; L248-D259 HydrophobicContact CD2-CB 4.01Å; L248-V260 HydrophobicContact CD1-CG2 4.21Å; L248-L263 HydrophobicContact CD1-CD1 3.97Å; L248-L263 HydrophobicContact CD2-CD1 4.15Å; L248-L263 HydrophobicContact CD2-CD2 3.9Å; L248-L263 HydrophobicContact CD2-CG 4.19Å; L248-L263 HydrophobicContact CG-CD1 4.28Å
249V80.7Confident79.8Confident47 Ų4763.9 Ų63.929%0.28538%0.376SS..Hα-helixtrans-69.3-41.7179.91740000111.2L220 I222 L245 Q246 S251 G252 V255L220-V249 HydrophobicContact CD1-CB 4.49Å; L220-V249 HydrophobicContact CD1-CG1 4.1Å; L220-V249 HydrophobicContact CD1-CG2 3.68Å; L220-V249 HydrophobicContact CD2-CG1 3.63Å; L220-V249 HydrophobicContact CD2-CG2 4.21Å; I222-V249 HydrophobicContact CD1-CG2 4.39Å; L245-V249 HydrophobicContact CD1-CG2 4.33Å; L245-V249 VanDerWaalsContact O-CG2 3.27Å; L245-V249 WeakPolarHBondContact O-CG2 3.48Å; L245-V249 PolarHBondContact O-N 3.27Å; Q246-V249 PolarHBondContact O-N 3.17Å; V249-S251 PolarHBondContact O-N 2.88Å; V249-G252 PolarHBondContact O-N 3.1Å; V249-G252 VanDerWaalsContact O-N 3.09Å; V249-V255 HydrophobicContact CG2-CG2 4.17Å
250C77.5Confident78.9Confident97 Ų9757.4 Ų57.466%0.65535%0.352SS*.Hα-helixtrans-63.7-21.5175.9-72.30000113.2Q246 G252Q246-C250 WeakPolarHBondContact O-CB 3.45Å; Q246-C250 PolarHBondContact O-N 2.97Å; Q246-C250 PolarHBondContact O-SG 3.39Å; C250-G252 PolarHBondContact O-N 2.98Å
251S70.2Confident78Confident87 Ų8761.7 Ų61.761%0.60837%0.367SS*.THydrogen-bonded Turntrans-73.6-4175.9-57.80000113.2L247 L248 V249 C253L247-S251 PolarHBondContact O-N 3.43Å; L247-S251 VanDerWaalsContact O-N 3.17Å; L247-S251 PolarHBondContact O-OG 2.93Å; L248-S251 WeakPolarHBondContact O-CB 3.45Å; L248-S251 PolarHBondContact O-N 3.26Å; V249-S251 PolarHBondContact O-N 2.88Å; S251-C253 PolarHBondContact O-N 2.82Å
252G63.5Low76.9Confident72 Ų7269.1 Ų69.174%0.74240%0.4SS*.THydrogen-bonded Turntrans75.54172.500000115.1V249 C250V249-G252 PolarHBondContact O-N 3.1Å; V249-G252 VanDerWaalsContact O-N 3.09Å; C250-G252 PolarHBondContact O-N 2.98Å
253C60.7Low75.7Confident80 Ų8068 Ų6854%0.54139%0.394SS..SBendtrans-97.8146.2178.3-62.90000111.3S251 V255S251-C253 PolarHBondContact O-N 2.82Å; C253-V255 PolarHBondContact O-N 2.98Å
254T71.4Confident74.4Confident121 Ų12170.3 Ų70.374%0.74241%0.411SS*.  trans-56.4122.3165.550.60000108.8T256T254-T256 WeakPolarHBondContact O-CG2 3.23Å; T254-T256 PolarHBondContact O-N 2.86Å; T254-T256 VanDerWaalsContact O-N 3.09Å
255V75Confident73Confident21 Ų2172 Ų7213%0.12742%0.417CS..  trans-71.8107.4-174.7-173.60000110.3I222 V226 L248 V249 C253I222-V255 HydrophobicContact CD1-CB 4.03Å; I222-V255 HydrophobicContact CD1-CG2 3.86Å; I222-V255 HydrophobicContact CG1-CB 4.26Å; I222-V255 HydrophobicContact CG1-CG2 4.45Å; V226-V255 HydrophobicContact CG1-CG1 4Å; L248-V255 HydrophobicContact CB-CG1 4.25Å; L248-V255 HydrophobicContact CB-CG2 3.94Å; L248-V255 HydrophobicContact CD1-CG1 3.7Å; V249-V255 HydrophobicContact CG2-CG2 4.17Å; C253-V255 PolarHBondContact O-N 2.98Å
256T77.9Confident70.9Confident52 Ų5274.6 Ų74.632%0.31945%0.447SS..  trans-104.4167.6178.369.40000112.2T254 S258 D259 V260T254-T256 WeakPolarHBondContact O-CG2 3.23Å; T254-T256 PolarHBondContact O-N 2.86Å; T254-T256 VanDerWaalsContact O-N 3.09Å; T256-S258 PolarHBondContact O-N 3.47Å; T256-S258 PolarHBondContact OG1-N 2.75Å; T256-S258 PolarHBondContact OG1-OG 3.13Å; T256-D259 WeakPolarHBondContact CB-OD2 3.44Å; T256-D259 PolarHBondContact N-OD2 3.4Å; T256-D259 PolarHBondContact O-N 2.9Å; T256-D259 PolarHBondContact OG1-OD2 3.28Å; T256-V260 PolarHBondContact O-N 3.01Å
257H75Confident69Low71 Ų7173.5 Ų73.533%0.32945%0.452SS..Hα-helixtrans-55.6-36.8170.2-85.3-76.1000112.3S225 V226 D259 V260 E261S225-H257 WeakPolarHBondContact CB-NE2 3.24Å; S225-H257 PolarHBondContact O-CE1 2.82Å; S225-H257 VanDerWaalsContact O-CE1 3.28Å; S225-H257 PolarHBondContact OG-NE2 3.03Å; V226-H257 VanDerWaalsContact CG2-CD2 3.44Å; V226-H257 WeakPolarHBondContact CG2-CD2 3.28Å; V226-H257 WeakPolarHBondContact CG2-NE2 2.97Å; V226-H257 PolarHBondContact N-CE1 2.92Å; V226-H257 PolarHBondContact N-NE2 3.43Å; H257-D259 VanDerWaalsContact C-N 3.27Å; H257-D259 PolarHBondContact O-N 3.43Å; H257-V260 PolarHBondContact O-N 3.37Å; H257-E261 WeakPolarHBondContact O-CG 3.3Å; H257-E261 PolarHBondContact O-N 3.36Å
258S72.2Confident67.1Low53 Ų5377 Ų7737%0.37146%0.462SS..Hα-helixtrans-65.9-30.9-178.575.10000112.6T256 E261 K262T256-S258 PolarHBondContact O-N 3.47Å; T256-S258 PolarHBondContact OG1-N 2.75Å; T256-S258 PolarHBondContact OG1-OG 3.13Å; S258-E261 PolarHBondContact O-N 3.45Å; S258-K262 WeakPolarHBondContact O-CD 3.41Å; S258-K262 VanDerWaalsContact O-CG 3.25Å; S258-K262 WeakPolarHBondContact O-CG 3.37Å; S258-K262 PolarHBondContact O-N 2.88Å; S258-K262 VanDerWaalsContact O-N 3.09Å
259D74.8Confident65.4Low36 Ų3682.7 Ų82.719%0.19349%0.493CS..Hα-helixtrans-71.2-44.4177-53.6-49.3000109.9L248 T256 H257 E261 K262 L263L248-D259 HydrophobicContact CD2-CB 4.01Å; T256-D259 WeakPolarHBondContact CB-OD2 3.44Å; T256-D259 PolarHBondContact N-OD2 3.4Å; T256-D259 PolarHBondContact O-N 2.9Å; T256-D259 PolarHBondContact OG1-OD2 3.28Å; H257-D259 VanDerWaalsContact C-N 3.27Å; H257-D259 PolarHBondContact O-N 3.43Å; D259-E261 VanDerWaalsContact C-N 3.26Å; D259-E261 PolarHBondContact O-N 3.08Å; D259-K262 PolarHBondContact O-N 3.47Å; D259-L263 WeakPolarHBondContact O-CG 3.21Å; D259-L263 PolarHBondContact O-N 3.49Å; D259-L263 VanDerWaalsContact O-N 3.16Å
260V72.8Confident63.9Low0 Ų082.7 Ų82.70%050%0.495CS..Hα-helixtrans-60.7-37.21751780000111.4V226 L230 K233 L248 T256 H257 L263V226-V260 HydrophobicContact CG1-CG2 3.6Å; L230-V260 HydrophobicContact CB-CG1 4.18Å; L230-V260 HydrophobicContact CB-CG2 4.36Å; L230-V260 HydrophobicContact CD1-CG1 4.47Å; K233-V260 HydrophobicContact CD-CG1 4.06Å; K233-V260 WeakPolarHBondContact CD-O 3.48Å; K233-V260 VanDerWaalsContact CE-O 3.28Å; K233-V260 WeakPolarHBondContact CE-O 3.41Å; K233-V260 PolarHBondContact NZ-O 3.26Å; L248-V260 HydrophobicContact CD1-CG2 4.21Å; T256-V260 PolarHBondContact O-N 3.01Å; H257-V260 PolarHBondContact O-N 3.37Å; V260-L263 WeakPolarHBondContact O-CB 3.34Å; V260-L263 PolarHBondContact O-N 2.85Å
261E71.7Confident62.8Low132 Ų13284 Ų8462%0.61749%0.49SS*.Hα-helixtrans-65.6-39.7176-77.4-179.5175.100113.1K233 H257 S258 D259 L263K233-E261 VanDerWaalsContact NZ-C 3.26Å; K233-E261 PolarHBondContact NZ-O 3.41Å; H257-E261 WeakPolarHBondContact O-CG 3.3Å; H257-E261 PolarHBondContact O-N 3.36Å; S258-E261 PolarHBondContact O-N 3.45Å; D259-E261 VanDerWaalsContact C-N 3.26Å; D259-E261 PolarHBondContact O-N 3.08Å; E261-L263 VanDerWaalsContact C-N 3.27Å; E261-L263 PolarHBondContact O-N 2.81Å
262K67.3Low62.2Low156 Ų15683.7 Ų83.768%0.67848%0.475SS*.Hα-helixtrans-71.4-18.9177.3-70.2166.8-171.8168.70113.7S258 D259 T264S258-K262 WeakPolarHBondContact O-CD 3.41Å; S258-K262 VanDerWaalsContact O-CG 3.25Å; S258-K262 WeakPolarHBondContact O-CG 3.37Å; S258-K262 PolarHBondContact O-N 2.88Å; S258-K262 VanDerWaalsContact O-N 3.09Å; D259-K262 PolarHBondContact O-N 3.47Å; K262-T264 PolarHBondContact O-N 3.06Å
263L66.6Low62.2Low44 Ų4482.7 Ų82.723%0.2346%0.457CS..  trans-62.4113.1177.1-69.3175.8000111.2L230 K233 T244 L248 D259 V260 E261 F265L230-L263 HydrophobicContact CD1-CD1 4.02Å; K233-L263 PolarHBondContact NZ-O 2.95Å; T244-L263 HydrophobicContact CG2-CD1 3.15Å; T244-L263 HydrophobicContact CG2-CD2 4.29Å; T244-L263 HydrophobicContact CG2-CG 4.31Å; L248-L263 HydrophobicContact CD1-CD1 3.97Å; L248-L263 HydrophobicContact CD2-CD1 4.15Å; L248-L263 HydrophobicContact CD2-CD2 3.9Å; L248-L263 HydrophobicContact CD2-CG 4.19Å; L248-L263 HydrophobicContact CG-CD1 4.28Å; D259-L263 WeakPolarHBondContact O-CG 3.21Å; D259-L263 PolarHBondContact O-N 3.49Å; D259-L263 VanDerWaalsContact O-N 3.16Å; V260-L263 WeakPolarHBondContact O-CB 3.34Å; V260-L263 PolarHBondContact O-N 2.85Å; E261-L263 VanDerWaalsContact C-N 3.27Å; E261-L263 PolarHBondContact O-N 2.81Å; L263-F265 HydrophobicContact CB-CE2 4.2Å; L263-F265 HydrophobicContact CD1-CE2 4.43Å; L263-F265 HydrophobicContact CD1-CZ 4.42Å; L263-F265 PolarHBondContact O-N 3.43Å
264T59.6Low62.4Low127 Ų12779.9 Ų79.978%0.77944%0.436SS*.  trans-80.6101.2154.251.40000106.1K262 G266K262-T264 PolarHBondContact O-N 3.06Å; T264-G266 PolarHBondContact O-N 2.89Å
265F56.4Low62.3Low53 Ų5381 Ų8123%0.23243%0.431CS..  trans-55.6119.2160.2-71.4-94.2000104.7L230 K233 A234 T244 L263 S267L230-F265 HydrophobicContact CD1-CZ 3.86Å; K233-F265 HydrophobicContact CB-CD2 3.91Å; K233-F265 HydrophobicContact CB-CE2 3.21Å; K233-F265 HydrophobicContact CB-CZ 3.79Å; K233-F265 HydrophobicContact CD-CD2 4.41Å; K233-F265 HydrophobicContact CD-CE2 3.79Å; K233-F265 HydrophobicContact CG-CE2 4.18Å; A234-F265 HydrophobicContact CB-CD1 4.31Å; A234-F265 HydrophobicContact CB-CE1 3.52Å; A234-F265 HydrophobicContact CB-CZ 3.89Å; T244-F265 HydrophobicContact CG2-CE1 4.14Å; T244-F265 HydrophobicContact CG2-CZ 4.13Å; T244-F265 WeakPolarHBondContact OG1-CE1 3.33Å; L263-F265 HydrophobicContact CB-CE2 4.2Å; L263-F265 HydrophobicContact CD1-CE2 4.43Å; L263-F265 HydrophobicContact CD1-CZ 4.42Å; L263-F265 PolarHBondContact O-N 3.43Å; F265-S267 PolarHBondContact O-N 3.39Å
266G44.4Very low62.2Low66 Ų6684.4 Ų84.468%0.6845%0.448SS*.  trans-46.4118.5-178.500000107.3T264 K268T264-G266 PolarHBondContact O-N 2.89Å; G266-K268 PolarHBondContact O-N 3.44Å
267S44.6Very low61.8Low94 Ų9481.9 Ų81.966%0.65743%0.433SS*.THydrogen-bonded Turntrans-66.335.1-170.9-52.70000113.3F265F265-S267 PolarHBondContact O-N 3.39Å
268K43.3Very low61.6Low189 Ų18980 Ų8082%0.82242%0.423SS*.THydrogen-bonded Turntrans-116.64.6-167.5-94.4-165.5172.9-175.30116.4G266G266-K268 PolarHBondContact O-N 3.44Å
269D48.7Very low61.6Low138 Ų13878.9 Ų78.974%0.73842%0.417SS*.SBendtrans-141.70.3175.3-101.4-24000117.7K271D269-K271 PolarHBondContact O-N 2.79Å
270S49.4Very low61.5Low48 Ų4879.7 Ų79.734%0.33642%0.419SS..  trans-83.462.2166.2-166.30000109.4R272S270-R272 PolarHBondContact O-N 2.94Å
271K52.9Low61.5Low124 Ų12481.2 Ų81.254%0.53943%0.429SS..  trans-64.491.1163.4-64.1-173.9-176.5-151.90106.4D269 S273 E307D269-K271 PolarHBondContact O-N 2.79Å; K271-S273 PolarHBondContact O-N 3.44Å; K271-E307 HydrophobicContact CD-CG 4.5Å; K271-E307 WeakPolarHBondContact CD-OE2 3.3Å; K271-E307 WeakPolarHBondContact CE-OE1 3.31Å; K271-E307 IonicContact NZ-OE1 2.67Å; K271-E307 PolarHBondContact NZ-OE1 3.07Å; K271-E307 IonicContact NZ-OE2 2.99Å; K271-E307 PolarHBondContact NZ-OE2 3.17Å
272R58.7Low61.4Low81 Ų8177.8 Ų77.831%0.30641%0.412SS..  trans-66.4132.1173.4-71.4-167.9178.6179.92.2107.5S270 D276 V277 A302S270-R272 PolarHBondContact O-N 2.94Å; R272-D276 HydrophobicContact CB-CB 4.42Å; R272-V277 HydrophobicContact CB-CG2 3.91Å; R272-A302 VanDerWaalsContact NH1-CB 3.32Å
273S62.7Low61.5Low51 Ų5178 Ų7836%0.35741%0.408SS..  trans-62.7148.917476.40000108.9K271 F275 D276 V277K271-S273 PolarHBondContact O-N 3.44Å; S273-F275 PolarHBondContact O-N 2.82Å; S273-D276 WeakPolarHBondContact CB-OD2 3.5Å; S273-D276 PolarHBondContact N-OD2 3.11Å; S273-D276 WeakPolarHBondContact O-CB 3.39Å; S273-D276 PolarHBondContact O-N 3.39Å; S273-D276 PolarHBondContact OG-N 3.17Å; S273-D276 PolarHBondContact OG-OD2 2.87Å; S273-V277 PolarHBondContact O-N 3.12Å
274L66.1Low61.2Low21 Ų2182.1 Ų82.111%0.1143%0.43CS..Hα-helixtrans-48-37.5175.3-159.292.4000111.5V277 W278 Q308 R311 L312L274-V277 PolarHBondContact O-N 3.33Å; L274-W278 HydrophobicContact CD2-CE3 4.47Å; L274-W278 HydrophobicContact CD2-CH2 3.16Å; L274-W278 HydrophobicContact CD2-CZ2 3.13Å; L274-W278 HydrophobicContact CD2-CZ3 3.87Å; L274-W278 HydrophobicContact CG-CD2 4.41Å; L274-W278 HydrophobicContact CG-CH2 4.04Å; L274-W278 HydrophobicContact CG-CZ2 3.63Å; L274-W278 VanDerWaalsContact O-CG 3.31Å; L274-W278 PolarHBondContact O-N 3.49Å; L274-Q308 HydrophobicContact CD1-CB 3.6Å; L274-Q308 WeakPolarHBondContact CD1-O 3.38Å; L274-R311 HydrophobicContact CD1-CB 4.03Å; L274-R311 HydrophobicContact CD2-CB 4.13Å; L274-L312 HydrophobicContact CD1-CB 4.19Å
275F69.2Low61.1Low144 Ų14479 Ų7963%0.63241%0.412SS*.Hα-helixtrans-69.1-36177.6-65.2-74.7000113.8S273 V277 W278 A279S273-F275 PolarHBondContact O-N 2.82Å; F275-V277 VanDerWaalsContact C-N 3.35Å; F275-W278 AromaticContact CD1-CE3 3.76Å; F275-W278 HydrophobicContact CD1-CE3 3.76Å; F275-W278 AromaticContact CD1-CZ3 3.84Å; F275-W278 HydrophobicContact CD1-CZ3 3.84Å; F275-W278 HydrophobicContact CE1-CE3 4.09Å; F275-W278 AromaticContact CE1-CZ3 3.67Å; F275-W278 HydrophobicContact CE1-CZ3 3.67Å; F275-W278 HydrophobicContact CG-CE3 4.49Å; F275-W278 HydrophobicContact CZ-CZ3 4.37Å; F275-A279 WeakPolarHBondContact O-CB 3.39Å; F275-A279 PolarHBondContact O-N 3.47Å
276D71.8Confident61Low92 Ų9288.4 Ų88.449%0.49245%0.446SS..Hα-helixtrans-67.3-39.9176.1-63.5-47.8000110.7R272 S273 A279 E280R272-D276 HydrophobicContact CB-CB 4.42Å; S273-D276 WeakPolarHBondContact CB-OD2 3.5Å; S273-D276 PolarHBondContact N-OD2 3.11Å; S273-D276 WeakPolarHBondContact O-CB 3.39Å; S273-D276 PolarHBondContact O-N 3.39Å; S273-D276 PolarHBondContact OG-N 3.17Å; S273-D276 PolarHBondContact OG-OD2 2.87Å; D276-A279 PolarHBondContact O-N 3.39Å; D276-E280 WeakPolarHBondContact O-CB 3.25Å; D276-E280 PolarHBondContact O-N 2.97Å
277V70.3Confident61.4Low0 Ų091.2 Ų91.20%045%0.445CS..Hα-helixtrans-64.9-48175.9-173.10000110.2R272 S273 L274 F275 A279 E280 V281 A302 V303 C306 L312R272-V277 HydrophobicContact CB-CG2 3.91Å; S273-V277 PolarHBondContact O-N 3.12Å; L274-V277 PolarHBondContact O-N 3.33Å; F275-V277 VanDerWaalsContact C-N 3.35Å; V277-A279 VanDerWaalsContact C-N 3.32Å; V277-A279 PolarHBondContact O-N 3.36Å; V277-E280 PolarHBondContact O-N 2.88Å; V277-E280 VanDerWaalsContact O-N 3.16Å; V277-V281 HydrophobicContact CG1-CG2 4.39Å; V277-V281 VanDerWaalsContact O-CG2 3.28Å; V277-V281 WeakPolarHBondContact O-CG2 3.47Å; V277-V281 PolarHBondContact O-N 3.42Å; V277-A302 HydrophobicContact CG1-CB 4.26Å; V277-A302 HydrophobicContact CG2-CB 4.48Å; V277-A302 WeakPolarHBondContact CG2-O 3.35Å; V277-V303 HydrophobicContact CG1-CG2 3.84Å; V277-C306 HydrophobicContact CG2-CB 4.22Å; V277-L312 HydrophobicContact CB-CD1 3.86Å; V277-L312 HydrophobicContact CG1-CD1 3.54Å; V277-L312 HydrophobicContact CG1-CD2 4.49Å
278W71.3Confident61.8Low32 Ų3297 Ų9712%0.12146%0.458CS..Hα-helixtrans-60.2-41.1175-68.5-22.2000113L274 F275 E280 V281 F282 R311 L312 L316L274-W278 HydrophobicContact CD2-CE3 4.47Å; L274-W278 HydrophobicContact CD2-CH2 3.16Å; L274-W278 HydrophobicContact CD2-CZ2 3.13Å; L274-W278 HydrophobicContact CD2-CZ3 3.87Å; L274-W278 HydrophobicContact CG-CD2 4.41Å; L274-W278 HydrophobicContact CG-CH2 4.04Å; L274-W278 HydrophobicContact CG-CZ2 3.63Å; L274-W278 VanDerWaalsContact O-CG 3.31Å; L274-W278 PolarHBondContact O-N 3.49Å; F275-W278 AromaticContact CD1-CE3 3.76Å; F275-W278 HydrophobicContact CD1-CE3 3.76Å; F275-W278 AromaticContact CD1-CZ3 3.84Å; F275-W278 HydrophobicContact CD1-CZ3 3.84Å; F275-W278 HydrophobicContact CE1-CE3 4.09Å; F275-W278 AromaticContact CE1-CZ3 3.67Å; F275-W278 HydrophobicContact CE1-CZ3 3.67Å; F275-W278 HydrophobicContact CG-CE3 4.49Å; F275-W278 HydrophobicContact CZ-CZ3 4.37Å; W278-E280 VanDerWaalsContact C-N 3.3Å; W278-E280 PolarHBondContact O-N 3.34Å; W278-V281 PolarHBondContact O-N 3Å; W278-F282 HydrophobicContact CB-CD2 4.19Å; W278-F282 HydrophobicContact CB-CE2 4.23Å; W278-F282 WeakPolarHBondContact O-CB 3.36Å; W278-F282 WeakPolarHBondContact O-CD2 3.44Å; W278-F282 WeakPolarHBondContact O-CG 3.35Å; W278-F282 PolarHBondContact O-N 3.08Å; W278-R311 WeakPolarHBondContact CZ2-O 3.28Å; W278-L312 PolarHBondContact NE1-O 3.46Å; W278-L316 HydrophobicContact CG-CD2 4.45Å
279A72.2Confident62.2Low29 Ų2999.1 Ų99.124%0.2446%0.461CS..Hα-helixtrans-62-40.1176.400000111.3F275 D276 V277 R283F275-A279 WeakPolarHBondContact O-CB 3.39Å; F275-A279 PolarHBondContact O-N 3.47Å; D276-A279 PolarHBondContact O-N 3.39Å; V277-A279 VanDerWaalsContact C-N 3.32Å; V277-A279 PolarHBondContact O-N 3.36Å; A279-R283 WeakPolarHBondContact O-CB 3.48Å; A279-R283 PolarHBondContact O-N 2.82Å
280E72Confident62.3Low52 Ų5296.7 Ų96.724%0.24344%0.444CS..Hα-helixtrans-69-38.6176.5-166.661.3-159.500112.1D276 V277 W278 R295D276-E280 WeakPolarHBondContact O-CB 3.25Å; D276-E280 PolarHBondContact O-N 2.97Å; V277-E280 PolarHBondContact O-N 2.88Å; V277-E280 VanDerWaalsContact O-N 3.16Å; W278-E280 VanDerWaalsContact C-N 3.3Å; W278-E280 PolarHBondContact O-N 3.34Å; E280-R295 PolarHBondContact O-NH1 3.17Å
281V71.6Confident62.7Low33 Ų3399.5 Ų99.520%0.245%0.454CS..Hα-helixtrans-65.8-43.5175.8175.20000111V277 W278 R295 V299 L316V277-V281 HydrophobicContact CG1-CG2 4.39Å; V277-V281 VanDerWaalsContact O-CG2 3.28Å; V277-V281 WeakPolarHBondContact O-CG2 3.47Å; V277-V281 PolarHBondContact O-N 3.42Å; W278-V281 PolarHBondContact O-N 3Å; V281-R295 PolarHBondContact O-NH2 3.46Å; V281-V299 HydrophobicContact CG2-CG1 3.81Å; V281-L316 HydrophobicContact CB-CD2 3.99Å; V281-L316 HydrophobicContact CG1-CD2 3.61Å; V281-L316 HydrophobicContact CG2-CD2 4.34Å
282F71Confident63.2Low59 Ų59101.5 Ų101.526%0.25946%0.463SS..Hα-helixtrans-89.9-21.7-174.9-63.6-46.5000114.8W278 L284 L316 N319 I323W278-F282 HydrophobicContact CB-CD2 4.19Å; W278-F282 HydrophobicContact CB-CE2 4.23Å; W278-F282 WeakPolarHBondContact O-CB 3.36Å; W278-F282 WeakPolarHBondContact O-CD2 3.44Å; W278-F282 WeakPolarHBondContact O-CG 3.35Å; W278-F282 PolarHBondContact O-N 3.08Å; F282-L284 PolarHBondContact O-N 3.36Å; F282-L316 HydrophobicContact CE1-CD2 3.89Å; F282-L316 HydrophobicContact CE2-CD2 3.74Å; F282-L316 HydrophobicContact CZ-CB 4.45Å; F282-L316 HydrophobicContact CZ-CD2 3.4Å; F282-L316 VanDerWaalsContact CZ-CD2 3.4Å; F282-L316 HydrophobicContact CZ-CG 4.5Å; F282-N319 HydrophobicContact CD2-CB 4.48Å; F282-N319 HydrophobicContact CE2-CB 3.54Å; F282-N319 HydrophobicContact CZ-CB 3.77Å; F282-I323 HydrophobicContact CB-CD1 4.43Å; F282-I323 HydrophobicContact CD1-CD1 3.17Å; F282-I323 HydrophobicContact CD1-CG1 4.24Å; F282-I323 HydrophobicContact CE1-CD1 3.43Å; F282-I323 VanDerWaalsContact CE1-CD1 3.43Å; F282-I323 HydrophobicContact CG-CD1 3.95Å; F282-I323 HydrophobicContact CZ-CD1 4.36Å
283R68Low63.3Low160 Ų160101.5 Ų101.560%0.60448%0.475SS*.  trans-82.7105.7179.6-165.2-174.3-60.6137.4-5.5110.4A279 P285 R295A279-R283 WeakPolarHBondContact O-CB 3.48Å; A279-R283 PolarHBondContact O-N 2.82Å; R283-P285 WeakPolarHBondContact O-CD 3.32Å; R283-R295 PolarHBondContact O-NH1 3.42Å; R283-R295 VanDerWaalsContact O-NH1 3.16Å
284L62.1Low63.6Low132 Ų132102.6 Ų102.669%0.69148%0.477SS*.  trans-80.3121.6169.6-78.2148.6000110.1F282 R286F282-L284 PolarHBondContact O-N 3.36Å; L284-R286 PolarHBondContact O-N 3.37Å
285P56.7Low63.5Low61 Ų61103.7 Ų103.740%0.39648%0.479SS..  trans-58.4134.2169.7-20.231.4000109.9R283 L287 F290R283-P285 WeakPolarHBondContact O-CD 3.32Å; P285-L287 PolarHBondContact O-N 2.86Å; P285-F290 HydrophobicContact CB-CD2 4.26Å; P285-F290 HydrophobicContact CG-CD2 4.47Å; P285-F290 HydrophobicContact CG-CG 4.48Å
286R54.5Low63.4Low251 Ų25198.9 Ų98.995%0.94746%0.463SS*.SBendtrans-67.3-4.5177.7-67.3-175.9178.1168.6-0113.8L284 K288L284-R286 PolarHBondContact O-N 3.37Å; R286-K288 PolarHBondContact O-N 3.32Å
287L52Low63.2Low125 Ų125100.4 Ų100.465%0.65447%0.467SS*.  trans-78.6109.7-175-135.173.5000110.1P285 R289 F290P285-L287 PolarHBondContact O-N 2.86Å; L287-R289 PolarHBondContact O-N 3.25Å; L287-F290 HydrophobicContact CB-CD2 4.35Å; L287-F290 PolarHBondContact O-N 2.88Å; L287-F290 VanDerWaalsContact O-N 3.13Å
288K53.4Low63.1Low216 Ų216105.1 Ų105.194%0.93949%0.488SS*.THydrogen-bonded Turntrans-56.7-8.4-175.5-66.2-174.9177.1-178.50115.8R286R286-K288 PolarHBondContact O-N 3.32Å
289R52.6Low63.1Low233 Ų233104.9 Ų104.988%0.87949%0.49SS*.THydrogen-bonded Turntrans-122.921.3-177.1-77-174.9177.4163.6-1.5113.5L287 I291L287-R289 PolarHBondContact O-N 3.25Å; R289-I291 PolarHBondContact O-N 2.9Å; R289-I291 VanDerWaalsContact O-N 3.15Å
290F50.8Low63Low87 Ų87109.2 Ų109.238%0.38251%0.508SS..  trans-65.8118.5172-131.4-90.9000109.1P285 L287 F292 I294 R295P285-F290 HydrophobicContact CB-CD2 4.26Å; P285-F290 HydrophobicContact CG-CD2 4.47Å; P285-F290 HydrophobicContact CG-CG 4.48Å; L287-F290 HydrophobicContact CB-CD2 4.35Å; L287-F290 PolarHBondContact O-N 2.88Å; L287-F290 VanDerWaalsContact O-N 3.13Å; F290-F292 PolarHBondContact O-N 3.08Å; F290-F292 VanDerWaalsContact O-N 3.16Å; F290-I294 HydrophobicContact CE1-CG2 4.24Å; F290-R295 HydrophobicContact CD1-CB 4.34Å
291I58Low62.9Low106 Ų106109.6 Ų109.654%0.54451%0.514SS..  trans-65.4116.5177.4-58.4171.6000106.5R289 S293 I294 R295R289-I291 PolarHBondContact O-N 2.9Å; R289-I291 VanDerWaalsContact O-N 3.15Å; I291-S293 PolarHBondContact O-N 2.92Å; I291-S293 VanDerWaalsContact O-N 3.08Å; I291-I294 HydrophobicContact CB-CD1 4.13Å; I291-I294 HydrophobicContact CB-CG1 4.26Å; I291-I294 HydrophobicContact CD1-CD1 4.09Å; I291-I294 PolarHBondContact O-N 3.3Å; I291-R295 PolarHBondContact O-N 3.22Å
292F63.4Low62.7Low166 Ų166108 Ų10873%0.72851%0.505SS*.Hα-helixtrans-46.6-40.4179.6178.7-100.8000112.1F290 I294 R295 C296F290-F292 PolarHBondContact O-N 3.08Å; F290-F292 VanDerWaalsContact O-N 3.16Å; F292-I294 PolarHBondContact O-N 3.43Å; F292-R295 PolarHBondContact O-N 3.22Å; F292-R295 VanDerWaalsContact O-N 3.17Å; F292-C296 WeakPolarHBondContact CE1-SG 3.39Å; F292-C296 VanDerWaalsContact CZ-SG 3.51Å; F292-C296 PolarHBondContact O-N 2.8Å; F292-C296 PolarHBondContact O-SG 3.09Å
293S61Low62.6Low81 Ų81107 Ų10757%0.56650%0.503SS*.Hα-helixtrans-54.1-49.1177.2-163.30000113.9I291 R295 C296 E297I291-S293 PolarHBondContact O-N 2.92Å; I291-S293 VanDerWaalsContact O-N 3.08Å; S293-R295 VanDerWaalsContact C-N 3.26Å; S293-R295 PolarHBondContact O-N 3.16Å; S293-C296 PolarHBondContact O-N 3.45Å; S293-E297 PolarHBondContact O-N 3.4Å
294I67.6Low62.6Low75 Ų75102.9 Ų102.939%0.38550%0.504SS..Hα-helixtrans-65.9-35-178-61173.4000110.2F290 I291 F292 K298F290-I294 HydrophobicContact CE1-CG2 4.24Å; I291-I294 HydrophobicContact CB-CD1 4.13Å; I291-I294 HydrophobicContact CB-CG1 4.26Å; I291-I294 HydrophobicContact CD1-CD1 4.09Å; I291-I294 PolarHBondContact O-N 3.3Å; F292-I294 PolarHBondContact O-N 3.43Å; I294-K298 WeakPolarHBondContact O-CG 3.46Å; I294-K298 PolarHBondContact O-N 2.65Å; I294-K298 VanDerWaalsContact O-N 3.09Å
295R65.3Low62.7Low43 Ų4399.8 Ų99.816%0.16249%0.485CS..Hα-helixtrans-69.3-44.1175.8175.9176.3159.577.71.5111.2E280 V281 R283 F290 I291 F292 S293 E297 K298 V299E280-R295 PolarHBondContact O-NH1 3.17Å; V281-R295 PolarHBondContact O-NH2 3.46Å; R283-R295 PolarHBondContact O-NH1 3.42Å; R283-R295 VanDerWaalsContact O-NH1 3.16Å; F290-R295 HydrophobicContact CD1-CB 4.34Å; I291-R295 PolarHBondContact O-N 3.22Å; F292-R295 PolarHBondContact O-N 3.22Å; F292-R295 VanDerWaalsContact O-N 3.17Å; S293-R295 VanDerWaalsContact C-N 3.26Å; S293-R295 PolarHBondContact O-N 3.16Å; R295-E297 VanDerWaalsContact C-N 3.27Å; R295-E297 PolarHBondContact O-N 3.36Å; R295-K298 PolarHBondContact O-N 3.03Å; R295-K298 VanDerWaalsContact O-N 3.16Å; R295-V299 HydrophobicContact CG-CG2 4.29Å; R295-V299 WeakPolarHBondContact O-CG2 3.38Å; R295-V299 PolarHBondContact O-N 3.04Å
296C67Low63.2Low43 Ų4397.2 Ų97.229%0.29147%0.469SS..Hα-helixtrans-56.6-44.9176.4-73.30000110.9F292 S293 K298 V299 L300F292-C296 WeakPolarHBondContact CE1-SG 3.39Å; F292-C296 VanDerWaalsContact CZ-SG 3.51Å; F292-C296 PolarHBondContact O-N 2.8Å; F292-C296 PolarHBondContact O-SG 3.09Å; S293-C296 PolarHBondContact O-N 3.45Å; C296-K298 PolarHBondContact O-N 2.67Å; C296-V299 PolarHBondContact O-N 3.15Å; C296-L300 VanDerWaalsContact O-CB 3.31Å; C296-L300 WeakPolarHBondContact O-CB 3.23Å; C296-L300 VanDerWaalsContact O-CG 3.23Å; C296-L300 WeakPolarHBondContact O-CG 3.25Å; C296-L300 PolarHBondContact O-N 3.02Å
297E66.2Low63.5Low125 Ų12591.9 Ų91.958%0.58446%0.455SS*.Hα-helixtrans-62.2-41.4176.6-166.3179.817800112.3S293 R295 L300 T301S293-E297 PolarHBondContact O-N 3.4Å; R295-E297 VanDerWaalsContact C-N 3.27Å; R295-E297 PolarHBondContact O-N 3.36Å; E297-L300 PolarHBondContact O-N 3.49Å; E297-T301 WeakPolarHBondContact O-CB 3.49Å; E297-T301 VanDerWaalsContact O-CG2 3.28Å; E297-T301 WeakPolarHBondContact O-CG2 3.22Å; E297-T301 PolarHBondContact O-N 2.72Å; E297-T301 PolarHBondContact O-OG1 2.88Å
298K69.8Low64.2Low98 Ų9890.3 Ų90.343%0.42644%0.444SS..Hα-helixtrans-64.2-38.9174.5-76.1-176.1178.4-165.60113.8I294 R295 C296 T301 A302I294-K298 WeakPolarHBondContact O-CG 3.46Å; I294-K298 PolarHBondContact O-N 2.65Å; I294-K298 VanDerWaalsContact O-N 3.09Å; R295-K298 PolarHBondContact O-N 3.03Å; R295-K298 VanDerWaalsContact O-N 3.16Å; C296-K298 PolarHBondContact O-N 2.67Å; K298-T301 VanDerWaalsContact C-OG1 3.31Å; K298-T301 VanDerWaalsContact CA-OG1 3.28Å; K298-T301 WeakPolarHBondContact CA-OG1 3.49Å; K298-T301 PolarHBondContact O-OG1 3.16Å; K298-A302 VanDerWaalsContact O-CB 3.3Å; K298-A302 WeakPolarHBondContact O-CB 3.34Å; K298-A302 PolarHBondContact O-N 3.46Å
299V69.9Low64.7Low28 Ų2885.1 Ų85.117%0.1742%0.423CS..Hα-helixtrans-71.7-45.5176.8172.90000110V281 R295 C296 T301 A302 V303V281-V299 HydrophobicContact CG2-CG1 3.81Å; R295-V299 HydrophobicContact CG-CG2 4.29Å; R295-V299 WeakPolarHBondContact O-CG2 3.38Å; R295-V299 PolarHBondContact O-N 3.04Å; C296-V299 PolarHBondContact O-N 3.15Å; V299-T301 VanDerWaalsContact C-N 3.33Å; V299-T301 PolarHBondContact O-N 2.95Å; V299-A302 WeakPolarHBondContact O-CB 3.31Å; V299-A302 PolarHBondContact O-N 3.26Å; V299-A302 VanDerWaalsContact O-N 3.1Å; V299-V303 HydrophobicContact CG1-CG2 4.18Å; V299-V303 VanDerWaalsContact O-CG2 3.28Å; V299-V303 WeakPolarHBondContact O-CG2 3.34Å; V299-V303 PolarHBondContact O-N 3.34Å
300L69.5Low65.3Low120 Ų12080.7 Ų80.763%0.62842%0.417SS*.Hα-helixtrans-59.8-44.7178-75.6168.2000111.5C296 E297 V303 A304C296-L300 VanDerWaalsContact O-CB 3.31Å; C296-L300 WeakPolarHBondContact O-CB 3.23Å; C296-L300 VanDerWaalsContact O-CG 3.23Å; C296-L300 WeakPolarHBondContact O-CG 3.25Å; C296-L300 PolarHBondContact O-N 3.02Å; E297-L300 PolarHBondContact O-N 3.49Å; L300-V303 PolarHBondContact O-N 2.88Å; L300-A304 VanDerWaalsContact O-CB 3.3Å; L300-A304 WeakPolarHBondContact O-CB 3.23Å; L300-A304 PolarHBondContact O-N 2.88Å
301T70.3Confident66.4Low60 Ų6083.9 Ų83.937%0.36843%0.426SS..Hα-helixtrans-61.7-47.5172.248.50000110.5E297 K298 V299 V303 A304 H305E297-T301 WeakPolarHBondContact O-CB 3.49Å; E297-T301 VanDerWaalsContact O-CG2 3.28Å; E297-T301 WeakPolarHBondContact O-CG2 3.22Å; E297-T301 PolarHBondContact O-N 2.72Å; E297-T301 PolarHBondContact O-OG1 2.88Å; K298-T301 VanDerWaalsContact C-OG1 3.31Å; K298-T301 VanDerWaalsContact CA-OG1 3.28Å; K298-T301 WeakPolarHBondContact CA-OG1 3.49Å; K298-T301 PolarHBondContact O-OG1 3.16Å; V299-T301 VanDerWaalsContact C-N 3.33Å; V299-T301 PolarHBondContact O-N 2.95Å; T301-V303 VanDerWaalsContact C-N 3.3Å; T301-V303 PolarHBondContact O-N 2.85Å; T301-A304 PolarHBondContact O-N 3.41Å; T301-H305 PolarHBondContact O-N 3.31Å; T301-H305 PolarHBondContact O-ND1 2.91Å
302A68.6Low67Low0 Ų078.9 Ų78.90%040%0.401CS..Hα-helixtrans-57.3-41.5177.500000113.6R272 V277 K298 V299R272-A302 VanDerWaalsContact NH1-CB 3.32Å; V277-A302 HydrophobicContact CG1-CB 4.26Å; V277-A302 HydrophobicContact CG2-CB 4.48Å; V277-A302 WeakPolarHBondContact CG2-O 3.35Å; K298-A302 VanDerWaalsContact O-CB 3.3Å; K298-A302 WeakPolarHBondContact O-CB 3.34Å; K298-A302 PolarHBondContact O-N 3.46Å; V299-A302 WeakPolarHBondContact O-CB 3.31Å; V299-A302 PolarHBondContact O-N 3.26Å; V299-A302 VanDerWaalsContact O-N 3.1Å
303V68.9Low67.3Low37 Ų3774.3 Ų74.322%0.22438%0.381CS..Hα-helixtrans-69-44.6179.3171.60000111.1V277 V299 L300 T301 H305 C306 L312V277-V303 HydrophobicContact CG1-CG2 3.84Å; V299-V303 HydrophobicContact CG1-CG2 4.18Å; V299-V303 VanDerWaalsContact O-CG2 3.28Å; V299-V303 WeakPolarHBondContact O-CG2 3.34Å; V299-V303 PolarHBondContact O-N 3.34Å; L300-V303 PolarHBondContact O-N 2.88Å; T301-V303 VanDerWaalsContact C-N 3.3Å; T301-V303 PolarHBondContact O-N 2.85Å; V303-H305 PolarHBondContact O-N 3.47Å; V303-H305 VanDerWaalsContact O-N 3.17Å; V303-C306 VanDerWaalsContact O-CB 3.24Å; V303-C306 WeakPolarHBondContact O-CB 3.47Å; V303-C306 PolarHBondContact O-N 3.41Å; V303-L312 HydrophobicContact CB-CD2 4.28Å; V303-L312 HydrophobicContact CG1-CD2 3.65Å; V303-L312 HydrophobicContact CG2-CD2 3.94Å
304A67.7Low67.9Low74 Ų7475.1 Ų75.161%0.61238%0.379SS*.Hα-helixtrans-62.9-21.6178.700000113.7L300 T301L300-A304 VanDerWaalsContact O-CB 3.3Å; L300-A304 WeakPolarHBondContact O-CB 3.23Å; L300-A304 PolarHBondContact O-N 2.88Å; T301-A304 PolarHBondContact O-N 3.41Å
305H63.4Low68.2Low66 Ų6671.7 Ų71.731%0.30636%0.362SS..THydrogen-bonded Turntrans-94.77.5175.1-61.398.7000113.3T301 V303T301-H305 PolarHBondContact O-N 3.31Å; T301-H305 PolarHBondContact O-ND1 2.91Å; V303-H305 PolarHBondContact O-N 3.47Å; V303-H305 VanDerWaalsContact O-N 3.17Å
306C66.7Low68.5Low7 Ų771.1 Ų71.15%0.04736%0.362CS..  trans-90.6121178.4-163.30000110.7V277 V303 Q308V277-C306 HydrophobicContact CG2-CB 4.22Å; V303-C306 VanDerWaalsContact O-CB 3.24Å; V303-C306 WeakPolarHBondContact O-CB 3.47Å; V303-C306 PolarHBondContact O-N 3.41Å; C306-Q308 VanDerWaalsContact C-N 3.27Å; C306-Q308 PolarHBondContact O-N 3.28Å
307E60.9Low68.8Low140 Ų14073 Ų7365%0.65437%0.365SS*.SBendtrans-72.9-18.5177.6-66.4-170.4146.800113.6K271K271-E307 HydrophobicContact CD-CG 4.5Å; K271-E307 WeakPolarHBondContact CD-OE2 3.3Å; K271-E307 WeakPolarHBondContact CE-OE1 3.31Å; K271-E307 IonicContact NZ-OE1 2.67Å; K271-E307 PolarHBondContact NZ-OE1 3.07Å; K271-E307 IonicContact NZ-OE2 2.99Å; K271-E307 PolarHBondContact NZ-OE2 3.17Å
308Q67.6Low69.2Low92 Ų9274 Ų7443%0.4337%0.37SS..  trans-110.158.4-174.6-69.9-178.48.700110.9L274 C306 D310 R311 L312L274-Q308 HydrophobicContact CD1-CB 3.6Å; L274-Q308 WeakPolarHBondContact CD1-O 3.38Å; C306-Q308 VanDerWaalsContact C-N 3.27Å; C306-Q308 PolarHBondContact O-N 3.28Å; Q308-D310 VanDerWaalsContact C-N 3.25Å; Q308-D310 PolarHBondContact O-N 3.39Å; Q308-R311 HydrophobicContact CB-CB 4.4Å; Q308-R311 PolarHBondContact O-N 3.37Å; Q308-L312 WeakPolarHBondContact O-CB 3.37Å; Q308-L312 PolarHBondContact O-N 2.91Å
309E63Low69.4Low107 Ų10771.9 Ų71.950%0.536%0.363SS..Hα-helixtrans-55.7-40.2179-64.6-172.7169.900112.1R311 L312 F313E309-R311 PolarHBondContact O-N 3.39Å; E309-L312 WeakPolarHBondContact O-CB 3.28Å; E309-L312 PolarHBondContact O-N 3.2Å; E309-F313 VanDerWaalsContact O-CD2 3.23Å; E309-F313 WeakPolarHBondContact O-CD2 3.37Å
310D66.9Low69.4Low140 Ų14073.3 Ų73.375%0.74937%0.366SS*.Hα-helixtrans-57.1-49.4179-61.1-35000111.8Q308 L312Q308-D310 VanDerWaalsContact C-N 3.25Å; Q308-D310 PolarHBondContact O-N 3.39Å; D310-L312 VanDerWaalsContact C-N 3.33Å; D310-L312 PolarHBondContact O-N 2.91Å
311R71.9Confident69.4Low153 Ų15370.9 Ų70.958%0.57736%0.357SS*.Hα-helixtrans-76.7-22.1-178.9-65.6-174.4-178.1174.10.8112.9L274 W278 Q308 E309 F313 D314 G315L274-R311 HydrophobicContact CD1-CB 4.03Å; L274-R311 HydrophobicContact CD2-CB 4.13Å; W278-R311 WeakPolarHBondContact CZ2-O 3.28Å; Q308-R311 HydrophobicContact CB-CB 4.4Å; Q308-R311 PolarHBondContact O-N 3.37Å; E309-R311 PolarHBondContact O-N 3.39Å; R311-F313 VanDerWaalsContact C-N 3.32Å; R311-D314 PolarHBondContact O-N 2.9Å; R311-G315 PolarHBondContact O-N 3.24Å
312L71.4Confident69.5Low1 Ų174.3 Ų74.31%0.00537%0.373CS..Hα-helixtrans-60.4-48.5-179.2178.977.1000109.4L274 V277 W278 V303 Q308 E309 D310 L316L274-L312 HydrophobicContact CD1-CB 4.19Å; V277-L312 HydrophobicContact CB-CD1 3.86Å; V277-L312 HydrophobicContact CG1-CD1 3.54Å; V277-L312 HydrophobicContact CG1-CD2 4.49Å; W278-L312 PolarHBondContact NE1-O 3.46Å; V303-L312 HydrophobicContact CB-CD2 4.28Å; V303-L312 HydrophobicContact CG1-CD2 3.65Å; V303-L312 HydrophobicContact CG2-CD2 3.94Å; Q308-L312 WeakPolarHBondContact O-CB 3.37Å; Q308-L312 PolarHBondContact O-N 2.91Å; E309-L312 WeakPolarHBondContact O-CB 3.28Å; E309-L312 PolarHBondContact O-N 3.2Å; D310-L312 VanDerWaalsContact C-N 3.33Å; D310-L312 PolarHBondContact O-N 2.91Å; L312-L316 HydrophobicContact CG-CD1 4.3Å; L312-L316 WeakPolarHBondContact O-CB 3.38Å; L312-L316 VanDerWaalsContact O-CG 3.26Å; L312-L316 WeakPolarHBondContact O-CG 3.19Å; L312-L316 PolarHBondContact O-N 3.06Å
313F70.4Confident69.6Low71 Ų7176.8 Ų76.831%0.31139%0.385SS..Hα-helixtrans-66.1-44.5178.8-67.5-70.2000111.6E309 R311 G315 L316 F317 M343E309-F313 VanDerWaalsContact O-CD2 3.23Å; E309-F313 WeakPolarHBondContact O-CD2 3.37Å; R311-F313 VanDerWaalsContact C-N 3.32Å; F313-G315 PolarHBondContact O-N 3.35Å; F313-L316 WeakPolarHBondContact O-CB 3.36Å; F313-L316 PolarHBondContact O-N 2.85Å; F313-L316 VanDerWaalsContact O-N 3.11Å; F313-F317 HydrophobicContact CB-CD2 4.22Å; F313-F317 HydrophobicContact CB-CE2 3.93Å; F313-F317 WeakPolarHBondContact O-CB 3.4Å; F313-F317 WeakPolarHBondContact O-CD2 3.4Å; F313-F317 WeakPolarHBondContact O-CG 3.17Å; F313-F317 PolarHBondContact O-N 3.14Å; F313-M343 HydrophobicContact CE1-CE 4.33Å; F313-M343 HydrophobicContact CE2-CE 3.97Å; F313-M343 HydrophobicContact CZ-CE 3.79Å
314D73.4Confident69.4Low98 Ų9884.1 Ų84.152%0.52442%0.417SS..Hα-helixtrans-53.1-53177.6-70.8-22.8000111.6R311 L316 F317 E318R311-D314 PolarHBondContact O-N 2.9Å; D314-L316 VanDerWaalsContact C-N 3.35Å; D314-L316 PolarHBondContact O-N 2.84Å; D314-F317 CarbonylContact O-C 3.56Å; D314-F317 PolarHBondContact O-N 3.27Å; D314-F317 VanDerWaalsContact O-N 3.14Å; D314-E318 WeakPolarHBondContact O-CG 3.41Å; D314-E318 PolarHBondContact O-N 3.1Å
315G72.8Confident69.1Low3 Ų384.7 Ų84.73%0.03141%0.406CS..Hα-helixtrans-75.5-21.6-179.800000113.9R311 F313 F317 N319R311-G315 PolarHBondContact O-N 3.24Å; F313-G315 PolarHBondContact O-N 3.35Å; G315-F317 VanDerWaalsContact C-N 3.34Å; G315-N319 WeakPolarHBondContact O-CB 3.44Å; G315-N319 PolarHBondContact O-N 2.86Å; G315-N319 PolarHBondContact O-ND2 3.44Å
316L73Confident69.1Low31 Ų3192.1 Ų92.116%0.16244%0.438CS..Hα-helixtrans-65.1-42.6166-74.2175.4000110.5W278 V281 F282 L312 F313 D314 N319 Y320W278-L316 HydrophobicContact CG-CD2 4.45Å; V281-L316 HydrophobicContact CB-CD2 3.99Å; V281-L316 HydrophobicContact CG1-CD2 3.61Å; V281-L316 HydrophobicContact CG2-CD2 4.34Å; F282-L316 HydrophobicContact CE1-CD2 3.89Å; F282-L316 HydrophobicContact CE2-CD2 3.74Å; F282-L316 HydrophobicContact CZ-CB 4.45Å; F282-L316 HydrophobicContact CZ-CD2 3.4Å; F282-L316 VanDerWaalsContact CZ-CD2 3.4Å; F282-L316 HydrophobicContact CZ-CG 4.5Å; L312-L316 HydrophobicContact CG-CD1 4.3Å; L312-L316 WeakPolarHBondContact O-CB 3.38Å; L312-L316 VanDerWaalsContact O-CG 3.26Å; L312-L316 WeakPolarHBondContact O-CG 3.19Å; L312-L316 PolarHBondContact O-N 3.06Å; F313-L316 WeakPolarHBondContact O-CB 3.36Å; F313-L316 PolarHBondContact O-N 2.85Å; F313-L316 VanDerWaalsContact O-N 3.11Å; D314-L316 VanDerWaalsContact C-N 3.35Å; D314-L316 PolarHBondContact O-N 2.84Å; L316-N319 PolarHBondContact O-N 3.2Å; L316-Y320 WeakPolarHBondContact O-CB 3.48Å; L316-Y320 PolarHBondContact O-N 3.12Å
317F71.6Confident69Low81 Ų8193.7 Ų93.736%0.35545%0.446SS..Hα-helixtrans-68.4-35.1178.4-69.4-48.7000113.1F313 D314 G315 Y320 A340F313-F317 HydrophobicContact CB-CD2 4.22Å; F313-F317 HydrophobicContact CB-CE2 3.93Å; F313-F317 WeakPolarHBondContact O-CB 3.4Å; F313-F317 WeakPolarHBondContact O-CD2 3.4Å; F313-F317 WeakPolarHBondContact O-CG 3.17Å; F313-F317 PolarHBondContact O-N 3.14Å; D314-F317 CarbonylContact O-C 3.56Å; D314-F317 PolarHBondContact O-N 3.27Å; D314-F317 VanDerWaalsContact O-N 3.14Å; G315-F317 VanDerWaalsContact C-N 3.34Å; F317-Y320 HydrophobicContact CD1-CD1 4.46Å; F317-Y320 HydrophobicContact CD1-CE1 4.4Å; F317-Y320 WeakPolarHBondContact O-CD1 3.47Å; F317-Y320 WeakPolarHBondContact O-CE1 3.46Å; F317-A340 HydrophobicContact CD1-CB 4.44Å; F317-A340 HydrophobicContact CE1-CB 3.46Å; F317-A340 VanDerWaalsContact CE1-CB 3.46Å; F317-A340 HydrophobicContact CZ-CB 3.74Å
318E75.6Confident69.3Low146 Ų14698.1 Ų98.168%0.68246%0.456SS*.Hα-helixtrans-73-36.1174.1-72.2-174.3167.200112.6D314 P321D314-E318 WeakPolarHBondContact O-CG 3.41Å; D314-E318 PolarHBondContact O-N 3.1Å; E318-P321 WeakPolarHBondContact O-CD 3.38Å
319N73Confident69.8Low55 Ų5599.6 Ų99.629%0.29446%0.463SS..Hα-helixtrans-93.5-24.1-172.6-71.5-69.4000114.6F282 G315 L316 L322F282-N319 HydrophobicContact CD2-CB 4.48Å; F282-N319 HydrophobicContact CE2-CB 3.54Å; F282-N319 HydrophobicContact CZ-CB 3.77Å; G315-N319 WeakPolarHBondContact O-CB 3.44Å; G315-N319 PolarHBondContact O-N 2.86Å; G315-N319 PolarHBondContact O-ND2 3.44Å; L316-N319 PolarHBondContact O-N 3.2Å; N319-L322 WeakPolarHBondContact O-CB 3.26Å; N319-L322 PolarHBondContact O-N 3.26Å; N319-L322 VanDerWaalsContact O-N 3.09Å
320Y71.5Confident70.1Confident57 Ų5799.4 Ų99.422%0.22447%0.465CS..G310 helixtrans-58-36.4-179.289.1-88.7000114.5L316 F317 L322 I323 F325 I333 L337L316-Y320 WeakPolarHBondContact O-CB 3.48Å; L316-Y320 PolarHBondContact O-N 3.12Å; F317-Y320 HydrophobicContact CD1-CD1 4.46Å; F317-Y320 HydrophobicContact CD1-CE1 4.4Å; F317-Y320 WeakPolarHBondContact O-CD1 3.47Å; F317-Y320 WeakPolarHBondContact O-CE1 3.46Å; Y320-L322 VanDerWaalsContact C-N 3.25Å; Y320-L322 PolarHBondContact O-N 3.27Å; Y320-I323 WeakPolarHBondContact O-CB 3.42Å; Y320-I323 PolarHBondContact O-N 3.4Å; Y320-F325 VanDerWaalsContact O-CE2 3.24Å; Y320-F325 WeakPolarHBondContact O-CE2 3.29Å; Y320-I333 HydrophobicContact CE2-CG2 4.18Å; Y320-L337 WeakPolarHBondContact OH-CD2 3.37Å
321P69.3Low70.6Confident69 Ų69100.6 Ų100.645%0.44846%0.459SS..G310 helixtrans-71-24.7179.2-14.330.7000112.2E318 I323E318-P321 WeakPolarHBondContact O-CD 3.38Å; P321-I323 PolarHBondContact O-N 2.78Å
322L72.8Confident70.5Confident132 Ų13295.6 Ų95.669%0.69145%0.45SS*.G310 helixtrans-75.5-11.4-179.7-57.4179000112.4N319 Y320 Q324N319-L322 WeakPolarHBondContact O-CB 3.26Å; N319-L322 PolarHBondContact O-N 3.26Å; N319-L322 VanDerWaalsContact O-N 3.09Å; Y320-L322 VanDerWaalsContact C-N 3.25Å; Y320-L322 PolarHBondContact O-N 3.27Å; L322-Q324 PolarHBondContact O-N 3.09Å
323I69Low70.5Confident52 Ų5297.5 Ų97.527%0.26746%0.46SS..SBendtrans-72.3126.9178-58.3169.8000109.2F282 Y320 P321 F325F282-I323 HydrophobicContact CB-CD1 4.43Å; F282-I323 HydrophobicContact CD1-CD1 3.17Å; F282-I323 HydrophobicContact CD1-CG1 4.24Å; F282-I323 HydrophobicContact CE1-CD1 3.43Å; F282-I323 VanDerWaalsContact CE1-CD1 3.43Å; F282-I323 HydrophobicContact CG-CD1 3.95Å; F282-I323 HydrophobicContact CZ-CD1 4.36Å; Y320-I323 WeakPolarHBondContact O-CB 3.42Å; Y320-I323 PolarHBondContact O-N 3.4Å; P321-I323 PolarHBondContact O-N 2.78Å; I323-F325 VanDerWaalsContact C-N 3.32Å; I323-F325 HydrophobicContact CB-CD2 4.25Å; I323-F325 HydrophobicContact CB-CE1 4.13Å; I323-F325 HydrophobicContact CB-CE2 3.7Å; I323-F325 HydrophobicContact CB-CZ 3.63Å; I323-F325 HydrophobicContact CD1-CE1 4.43Å; I323-F325 HydrophobicContact CD1-CZ 3.89Å; I323-F325 HydrophobicContact CG1-CZ 4.35Å; I323-F325 HydrophobicContact CG2-CD1 4.01Å; I323-F325 HydrophobicContact CG2-CD2 4.38Å; I323-F325 HydrophobicContact CG2-CE1 3.69Å; I323-F325 HydrophobicContact CG2-CE2 4.1Å; I323-F325 HydrophobicContact CG2-CG 4.35Å; I323-F325 HydrophobicContact CG2-CZ 3.76Å; I323-F325 WeakPolarHBondContact O-CD2 3.43Å; I323-F325 PolarHBondContact O-N 3.42Å
324Q65.1Low70.8Confident192 Ų192102.5 Ų102.590%0.89748%0.477SS*.  trans-72.987.1173.1-65.3-175.8300110.2L322L322-Q324 PolarHBondContact O-N 3.09Å
325F62.8Low70.9Confident85 Ų85100 Ų10037%0.37347%0.47SS..  trans-77.4133.8170.7-56.3-77.5000110.2Y320 I323 D327 I333Y320-F325 VanDerWaalsContact O-CE2 3.24Å; Y320-F325 WeakPolarHBondContact O-CE2 3.29Å; I323-F325 VanDerWaalsContact C-N 3.32Å; I323-F325 HydrophobicContact CB-CD2 4.25Å; I323-F325 HydrophobicContact CB-CE1 4.13Å; I323-F325 HydrophobicContact CB-CE2 3.7Å; I323-F325 HydrophobicContact CB-CZ 3.63Å; I323-F325 HydrophobicContact CD1-CE1 4.43Å; I323-F325 HydrophobicContact CD1-CZ 3.89Å; I323-F325 HydrophobicContact CG1-CZ 4.35Å; I323-F325 HydrophobicContact CG2-CD1 4.01Å; I323-F325 HydrophobicContact CG2-CD2 4.38Å; I323-F325 HydrophobicContact CG2-CE1 3.69Å; I323-F325 HydrophobicContact CG2-CE2 4.1Å; I323-F325 HydrophobicContact CG2-CG 4.35Å; I323-F325 HydrophobicContact CG2-CZ 3.76Å; I323-F325 WeakPolarHBondContact O-CD2 3.43Å; I323-F325 PolarHBondContact O-N 3.42Å; F325-D327 HydrophobicContact CB-CB 3.95Å; F325-D327 PolarHBondContact O-N 3.48Å; F325-I333 HydrophobicContact CD2-CD1 4.35Å; F325-I333 HydrophobicContact CD2-CG1 4.28Å; F325-I333 HydrophobicContact CE2-CG1 4.16Å
326K62.4Low70.8Confident222 Ų222101.5 Ų101.597%0.96549%0.485SS*.  trans-78.951.6159.6-70.3-172.3178.1-175.90110.2
327D64.6Low70.9Confident41 Ų41104.2 Ų104.222%0.21950%0.499CS..  trans-116.492.3-179.7-171.3-5.9000110.5F325 H329 L330 R331 A332F325-D327 HydrophobicContact CB-CB 3.95Å; F325-D327 PolarHBondContact O-N 3.48Å; D327-H329 PolarHBondContact O-N 3.14Å; D327-H329 VanDerWaalsContact O-N 3.16Å; D327-H329 PolarHBondContact OD1-N 3.29Å; D327-L330 PolarHBondContact O-N 3.25Å; D327-L330 PolarHBondContact OD1-N 3.43Å; D327-L330 VanDerWaalsContact OD1-N 3.11Å; D327-R331 WeakPolarHBondContact OD2-CA 3.32Å; D327-R331 PolarHBondContact OD2-N 3.08Å; D327-A332 PolarHBondContact OD2-N 2.88Å
328R67.7Low71.2Confident232 Ų232103.6 Ų103.688%0.87550%0.504SS*.THydrogen-bonded Turntrans-60.1-22.9178-171.2176.7-176.4-163.41.4112.8
329H77.6Confident71.1Confident124 Ų124105.4 Ų105.457%0.57451%0.505SS*.THydrogen-bonded Turntrans-107.73.7-173.3-63.1-66.4000113.4D327 R331D327-H329 PolarHBondContact O-N 3.14Å; D327-H329 VanDerWaalsContact O-N 3.16Å; D327-H329 PolarHBondContact OD1-N 3.29Å; H329-R331 HydrophobicContact CB-CG 3.91Å; H329-R331 PolarHBondContact O-N 2.93Å
330L70.4Confident71.1Confident103 Ų103103.4 Ų103.454%0.53950%0.496SS..  trans5326.2-179.8-48.1174.9000113.5D327 A332 I333 R334D327-L330 PolarHBondContact O-N 3.25Å; D327-L330 PolarHBondContact OD1-N 3.43Å; D327-L330 VanDerWaalsContact OD1-N 3.11Å; L330-A332 VanDerWaalsContact C-N 3.34Å; L330-A332 PolarHBondContact O-N 3.03Å; L330-I333 HydrophobicContact CB-CB 4.41Å; L330-I333 HydrophobicContact CD2-CD1 3.9Å; L330-I333 PolarHBondContact O-N 2.91Å; L330-R334 PolarHBondContact O-N 3.36Å
331R75.7Confident71.4Confident165 Ų165107.4 Ų107.462%0.62352%0.517SS*.Hα-helixtrans-64.6-39.6-178.1-68.6-178.3-173.6170.72.7111.5D327 H329 R334 A335D327-R331 WeakPolarHBondContact OD2-CA 3.32Å; D327-R331 PolarHBondContact OD2-N 3.08Å; H329-R331 HydrophobicContact CB-CG 3.91Å; H329-R331 PolarHBondContact O-N 2.93Å; R331-R334 PolarHBondContact O-N 3.3Å; R331-A335 WeakPolarHBondContact O-CB 3.33Å; R331-A335 PolarHBondContact O-N 3.33Å
332A71.2Confident71.9Confident47 Ų47109 Ų10939%0.38852%0.517SS..Hα-helixtrans-64-4317700000111.4D327 L330 A335 G336D327-A332 PolarHBondContact OD2-N 2.88Å; L330-A332 VanDerWaalsContact C-N 3.34Å; L330-A332 PolarHBondContact O-N 3.03Å; A332-A335 PolarHBondContact O-N 3.29Å; A332-G336 PolarHBondContact O-N 3.46Å
333I71.1Confident72Confident42 Ų42105.2 Ų105.222%0.21550%0.496CS..Hα-helixtrans-63.5-46.9176.2-67.6175.5000110.3Y320 F325 L330 A335 G336 L337Y320-I333 HydrophobicContact CE2-CG2 4.18Å; F325-I333 HydrophobicContact CD2-CD1 4.35Å; F325-I333 HydrophobicContact CD2-CG1 4.28Å; F325-I333 HydrophobicContact CE2-CG1 4.16Å; L330-I333 HydrophobicContact CB-CB 4.41Å; L330-I333 HydrophobicContact CD2-CD1 3.9Å; L330-I333 PolarHBondContact O-N 2.91Å; I333-A335 VanDerWaalsContact C-N 3.33Å; I333-A335 PolarHBondContact O-N 2.83Å; I333-G336 PolarHBondContact O-N 3.43Å; I333-L337 HydrophobicContact CG2-CD1 4.02Å; I333-L337 HydrophobicContact CG2-CG 4.48Å; I333-L337 WeakPolarHBondContact O-CG 3.47Å; I333-L337 PolarHBondContact O-N 2.73Å
334R77.5Confident72.4Confident176 Ų176107 Ų10766%0.66451%0.507SS*.Hα-helixtrans-56.7-46.4175.4-172.8-173.872.2160.34.7111.7L330 R331 L337 C338L330-R334 PolarHBondContact O-N 3.36Å; R331-R334 PolarHBondContact O-N 3.3Å; R334-L337 PolarHBondContact O-N 2.82Å; R334-C338 PolarHBondContact O-N 2.86Å; R334-C338 PolarHBondContact O-SG 2.86Å
335A73.7Confident73.1Confident46 Ų46102.4 Ų102.438%0.3849%0.485SS..Hα-helixtrans-63.7-42.3178.700000112R331 A332 I333 L337 C338 W339R331-A335 WeakPolarHBondContact O-CB 3.33Å; R331-A335 PolarHBondContact O-N 3.33Å; A332-A335 PolarHBondContact O-N 3.29Å; I333-A335 VanDerWaalsContact C-N 3.33Å; I333-A335 PolarHBondContact O-N 2.83Å; A335-L337 VanDerWaalsContact C-N 3.35Å; A335-L337 PolarHBondContact O-N 3.42Å; A335-C338 PolarHBondContact O-N 3.02Å; A335-W339 VanDerWaalsContact O-CD1 3.26Å; A335-W339 PolarHBondContact O-N 2.77Å; A335-W339 VanDerWaalsContact O-N 3.1Å
336G70.6Confident73.6Confident34 Ų34101.5 Ų101.535%0.35148%0.484SS..Hα-helixtrans-59.6-43.4174.400000112.5A332 I333 W339 A340A332-G336 PolarHBondContact O-N 3.46Å; I333-G336 PolarHBondContact O-N 3.43Å; G336-W339 PolarHBondContact O-N 3.02Å; G336-A340 PolarHBondContact O-N 2.96Å
337L75Confident74.2Confident87 Ų8794.2 Ų94.246%0.45546%0.455SS..Hα-helixtrans-64.8-37.3175.7-72171.4000112.8Y320 I333 R334 A335 A340 Q341Y320-L337 WeakPolarHBondContact OH-CD2 3.37Å; I333-L337 HydrophobicContact CG2-CD1 4.02Å; I333-L337 HydrophobicContact CG2-CG 4.48Å; I333-L337 WeakPolarHBondContact O-CG 3.47Å; I333-L337 PolarHBondContact O-N 2.73Å; R334-L337 PolarHBondContact O-N 2.82Å; A335-L337 VanDerWaalsContact C-N 3.35Å; A335-L337 PolarHBondContact O-N 3.42Å; L337-A340 WeakPolarHBondContact O-CB 3.33Å; L337-A340 PolarHBondContact O-N 2.83Å; L337-Q341 WeakPolarHBondContact O-CB 3.47Å; L337-Q341 PolarHBondContact O-N 3Å
338C78.6Confident74.9Confident68 Ų68100.3 Ų100.346%0.45948%0.475SS..Hα-helixtrans-62.6-42173.8-68.80000111.8R334 A335 Q341 F342R334-C338 PolarHBondContact O-N 2.86Å; R334-C338 PolarHBondContact O-SG 2.86Å; A335-C338 PolarHBondContact O-N 3.02Å; C338-Q341 PolarHBondContact O-N 3.24Å; C338-F342 WeakPolarHBondContact O-CB 3.29Å; C338-F342 PolarHBondContact O-N 3.06Å
339W74.6Confident75.2Confident184 Ų18493.2 Ų93.270%0.69745%0.454SS*.Hα-helixtrans-65.8-37.7174.6-79.8109.8000112.4A335 G336 F342 M343A335-W339 VanDerWaalsContact O-CD1 3.26Å; A335-W339 PolarHBondContact O-N 2.77Å; A335-W339 VanDerWaalsContact O-N 3.1Å; G336-W339 PolarHBondContact O-N 3.02Å; W339-F342 AromaticContact CE3-CD1 3.97Å; W339-F342 HydrophobicContact CE3-CD1 3.97Å; W339-F342 AromaticContact CZ3-CD1 3.91Å; W339-F342 HydrophobicContact CZ3-CD1 3.91Å; W339-F342 HydrophobicContact CZ3-CE1 4.15Å; W339-F342 PolarHBondContact O-N 3.43Å; W339-M343 WeakPolarHBondContact O-CB 3.42Å; W339-M343 PolarHBondContact O-N 2.73Å
340A71.7Confident74.9Confident14 Ų1491 Ų9112%0.11645%0.449CS..Hα-helixtrans-61.1-48.617400000111.5F317 G336 L337 F342 M343 D344F317-A340 HydrophobicContact CD1-CB 4.44Å; F317-A340 HydrophobicContact CE1-CB 3.46Å; F317-A340 VanDerWaalsContact CE1-CB 3.46Å; F317-A340 HydrophobicContact CZ-CB 3.74Å; G336-A340 PolarHBondContact O-N 2.96Å; L337-A340 WeakPolarHBondContact O-CB 3.33Å; L337-A340 PolarHBondContact O-N 2.83Å; A340-F342 VanDerWaalsContact C-N 3.29Å; A340-F342 PolarHBondContact O-N 3.44Å; A340-M343 WeakPolarHBondContact O-CB 3.48Å; A340-M343 PolarHBondContact O-N 3.41Å; A340-M343 VanDerWaalsContact O-N 3.15Å; A340-D344 PolarHBondContact O-N 3.38Å
341Q78.6Confident75.1Confident140 Ų14091.6 Ų91.665%0.65445%0.452SS*.Hα-helixtrans-60.2-40.2176.8-175.2-17829.800112.1L337 C338 D344 H345L337-Q341 WeakPolarHBondContact O-CB 3.47Å; L337-Q341 PolarHBondContact O-N 3Å; C338-Q341 PolarHBondContact O-N 3.24Å; Q341-D344 PolarHBondContact O-N 2.92Å; Q341-H345 PolarHBondContact O-N 3.02Å
342F79Confident75.2Confident102 Ų10285.9 Ų85.945%0.44744%0.437SS..Hα-helixtrans-64.4-42.9175.8179.5-111.4000111.7C338 W339 A340 H345 L346C338-F342 WeakPolarHBondContact O-CB 3.29Å; C338-F342 PolarHBondContact O-N 3.06Å; W339-F342 AromaticContact CE3-CD1 3.97Å; W339-F342 HydrophobicContact CE3-CD1 3.97Å; W339-F342 AromaticContact CZ3-CD1 3.91Å; W339-F342 HydrophobicContact CZ3-CD1 3.91Å; W339-F342 HydrophobicContact CZ3-CE1 4.15Å; W339-F342 PolarHBondContact O-N 3.43Å; A340-F342 VanDerWaalsContact C-N 3.29Å; A340-F342 PolarHBondContact O-N 3.44Å; F342-H345 WeakPolarHBondContact O-CB 3.37Å; F342-H345 PolarHBondContact O-N 3.47Å; F342-L346 HydrophobicContact CD1-CD1 3.87Å; F342-L346 HydrophobicContact CD1-CG 4.37Å; F342-L346 HydrophobicContact CE1-CD1 3.29Å; F342-L346 HydrophobicContact CE1-CG 3.98Å; F342-L346 HydrophobicContact CE2-CD1 4.31Å; F342-L346 HydrophobicContact CE2-CD2 4.32Å; F342-L346 HydrophobicContact CE2-CG 4.13Å; F342-L346 HydrophobicContact CZ-CD1 3.55Å; F342-L346 HydrophobicContact CZ-CD2 4.07Å; F342-L346 HydrophobicContact CZ-CG 3.85Å; F342-L346 WeakPolarHBondContact O-CG 3.42Å; F342-L346 PolarHBondContact O-N 2.74Å
343M75.4Confident75.2Confident53 Ų5387 Ų8726%0.26143%0.432SS..Hα-helixtrans-61.3-44.5175.5-173.164.4174.400111.7F313 W339 A340 H345 L346 N347F313-M343 HydrophobicContact CE1-CE 4.33Å; F313-M343 HydrophobicContact CE2-CE 3.97Å; F313-M343 HydrophobicContact CZ-CE 3.79Å; W339-M343 WeakPolarHBondContact O-CB 3.42Å; W339-M343 PolarHBondContact O-N 2.73Å; A340-M343 WeakPolarHBondContact O-CB 3.48Å; A340-M343 PolarHBondContact O-N 3.41Å; A340-M343 VanDerWaalsContact O-N 3.15Å; M343-H345 VanDerWaalsContact C-N 3.28Å; M343-H345 PolarHBondContact O-N 2.98Å; M343-L346 PolarHBondContact O-N 3.25Å; M343-N347 WeakPolarHBondContact O-CB 3.49Å; M343-N347 PolarHBondContact O-N 2.93Å
344D77.6Confident75.1Confident91 Ų9189.1 Ų89.149%0.48744%0.443SS..Hα-helixtrans-60.8-39.6175.7-74.2-17.3000112A340 Q341 R348A340-D344 PolarHBondContact O-N 3.38Å; Q341-D344 PolarHBondContact O-N 2.92Å; D344-R348 VanDerWaalsContact O-CB 3.31Å; D344-R348 WeakPolarHBondContact O-CB 3.43Å; D344-R348 PolarHBondContact O-N 3.47Å
345H79.1Confident74.9Confident94 Ų9485.8 Ų85.844%0.43544%0.438SS..Hα-helixtrans-65.7-46.4176.4-171.172000111.6Q341 F342 M343 R348 L349Q341-H345 PolarHBondContact O-N 3.02Å; F342-H345 WeakPolarHBondContact O-CB 3.37Å; F342-H345 PolarHBondContact O-N 3.47Å; M343-H345 VanDerWaalsContact C-N 3.28Å; M343-H345 PolarHBondContact O-N 2.98Å; H345-R348 PolarHBondContact O-N 3.33Å; H345-L349 WeakPolarHBondContact O-CG 3.5Å; H345-L349 PolarHBondContact O-N 3.45Å
346L74.5Confident74.7Confident67 Ų6789.3 Ų89.335%0.35144%0.441SS..Hα-helixtrans-60.9-49.2175.8-76-177.3000111.7F342 M343 R348 L349 V350F342-L346 HydrophobicContact CD1-CD1 3.87Å; F342-L346 HydrophobicContact CD1-CG 4.37Å; F342-L346 HydrophobicContact CE1-CD1 3.29Å; F342-L346 HydrophobicContact CE1-CG 3.98Å; F342-L346 HydrophobicContact CE2-CD1 4.31Å; F342-L346 HydrophobicContact CE2-CD2 4.32Å; F342-L346 HydrophobicContact CE2-CG 4.13Å; F342-L346 HydrophobicContact CZ-CD1 3.55Å; F342-L346 HydrophobicContact CZ-CD2 4.07Å; F342-L346 HydrophobicContact CZ-CG 3.85Å; F342-L346 WeakPolarHBondContact O-CG 3.42Å; F342-L346 PolarHBondContact O-N 2.74Å; M343-L346 PolarHBondContact O-N 3.25Å; L346-R348 VanDerWaalsContact C-N 3.3Å; L346-R348 PolarHBondContact O-N 3.48Å; L346-L349 WeakPolarHBondContact O-CB 3.37Å; L346-L349 PolarHBondContact O-N 2.88Å; L346-L349 VanDerWaalsContact O-N 3.08Å; L346-V350 WeakPolarHBondContact O-CG2 3.5Å; L346-V350 PolarHBondContact O-N 3.47Å
347N75.1Confident74.4Confident69 Ų6989.1 Ų89.137%0.36943%0.432SS..Hα-helixtrans-58.9-42.3178.2-79.5-18.1000111.5M343 L349 V350 L351M343-N347 WeakPolarHBondContact O-CB 3.49Å; M343-N347 PolarHBondContact O-N 2.93Å; N347-L349 PolarHBondContact O-N 3.37Å; N347-V350 PolarHBondContact O-N 3.23Å; N347-L351 VanDerWaalsContact O-CB 3.25Å; N347-L351 WeakPolarHBondContact O-CB 3.44Å; N347-L351 VanDerWaalsContact O-CG 3.23Å; N347-L351 WeakPolarHBondContact O-CG 3.38Å; N347-L351 PolarHBondContact O-N 3.29Å
348R77.9Confident73.8Confident168 Ų16887.7 Ų87.763%0.63443%0.427SS*.Hα-helixtrans-60.7-43.8174.2-172.6-173.6-55.9154.36.6111.9D344 H345 L346 S352D344-R348 VanDerWaalsContact O-CB 3.31Å; D344-R348 WeakPolarHBondContact O-CB 3.43Å; D344-R348 PolarHBondContact O-N 3.47Å; H345-R348 PolarHBondContact O-N 3.33Å; L346-R348 VanDerWaalsContact C-N 3.3Å; L346-R348 PolarHBondContact O-N 3.48Å; R348-S352 VanDerWaalsContact O-CB 3.22Å; R348-S352 WeakPolarHBondContact O-CB 3.4Å; R348-S352 PolarHBondContact O-N 3.22Å; R348-S352 PolarHBondContact O-OG 2.98Å
349L74.3Confident73.3Confident84 Ų8487.7 Ų87.744%0.4443%0.425SS..Hα-helixtrans-64.4-47.5178.2-72.8174.2000111.4H345 L346 N347 S352 R353H345-L349 WeakPolarHBondContact O-CG 3.5Å; H345-L349 PolarHBondContact O-N 3.45Å; L346-L349 WeakPolarHBondContact O-CB 3.37Å; L346-L349 PolarHBondContact O-N 2.88Å; L346-L349 VanDerWaalsContact O-N 3.08Å; N347-L349 PolarHBondContact O-N 3.37Å; L349-S352 PolarHBondContact O-N 2.84Å; L349-S352 PolarHBondContact O-OG 2.85Å; L349-R353 WeakPolarHBondContact O-CB 3.48Å; L349-R353 PolarHBondContact O-N 2.75Å
350V72.4Confident72.8Confident78 Ų7882.7 Ų82.747%0.47341%0.411SS..Hα-helixtrans-60-51.1177.61720000110.5L346 N347 S352 R353 I354L346-V350 WeakPolarHBondContact O-CG2 3.5Å; L346-V350 PolarHBondContact O-N 3.47Å; N347-V350 PolarHBondContact O-N 3.23Å; V350-S352 PolarHBondContact O-N 3.2Å; V350-R353 CarbonylContact O-C 3.49Å; V350-R353 WeakPolarHBondContact O-CA 3.47Å; V350-R353 WeakPolarHBondContact O-CB 3.48Å; V350-R353 PolarHBondContact O-N 3.44Å; V350-I354 HydrophobicContact CG1-CD1 3.7Å; V350-I354 HydrophobicContact CG1-CG1 4.33Å; V350-I354 WeakPolarHBondContact O-CG1 3.28Å; V350-I354 PolarHBondContact O-N 3.01Å
351L74.7Confident72.4Confident115 Ų11584.2 Ų84.260%0.60242%0.416SS*.Hα-helixtrans-61.1-43.1178-72170.5000111.9N347 R353 I354 D355N347-L351 VanDerWaalsContact O-CB 3.25Å; N347-L351 WeakPolarHBondContact O-CB 3.44Å; N347-L351 VanDerWaalsContact O-CG 3.23Å; N347-L351 WeakPolarHBondContact O-CG 3.38Å; N347-L351 PolarHBondContact O-N 3.29Å; L351-R353 PolarHBondContact O-N 2.98Å; L351-I354 PolarHBondContact O-N 3.4Å; L351-D355 WeakPolarHBondContact O-CB 3.32Å; L351-D355 PolarHBondContact O-N 3.35Å
352S76.9Confident71.8Confident44 Ų4483.3 Ų83.331%0.30841%0.412SS..Hα-helixtrans-62.7-27.7175.379.50000112.8R348 L349 V350 R356R348-S352 VanDerWaalsContact O-CB 3.22Å; R348-S352 WeakPolarHBondContact O-CB 3.4Å; R348-S352 PolarHBondContact O-N 3.22Å; R348-S352 PolarHBondContact O-OG 2.98Å; L349-S352 PolarHBondContact O-N 2.84Å; L349-S352 PolarHBondContact O-OG 2.85Å; V350-S352 PolarHBondContact O-N 3.2Å; S352-R356 WeakPolarHBondContact O-CB 3.33Å; S352-R356 VanDerWaalsContact O-CG 3.26Å; S352-R356 WeakPolarHBondContact O-CG 3.32Å; S352-R356 PolarHBondContact O-N 3.46Å; S352-R356 PolarHBondContact O-NE 3.22Å; S352-R356 PolarHBondContact OG-NH2 3.36Å
353R70.2Confident71.3Confident71 Ų7181 Ų8127%0.26841%0.408SS..Hα-helixtrans-82.4-42178.8-163.767.3177.9174.35.3110.7L349 V350 L351 D355 R356 N357 Q394L349-R353 WeakPolarHBondContact O-CB 3.48Å; L349-R353 PolarHBondContact O-N 2.75Å; V350-R353 CarbonylContact O-C 3.49Å; V350-R353 WeakPolarHBondContact O-CA 3.47Å; V350-R353 WeakPolarHBondContact O-CB 3.48Å; V350-R353 PolarHBondContact O-N 3.44Å; L351-R353 PolarHBondContact O-N 2.98Å; R353-D355 VanDerWaalsContact C-N 3.34Å; R353-R356 PolarHBondContact O-N 2.8Å; R353-N357 WeakPolarHBondContact O-CB 3.44Å; R353-N357 PolarHBondContact O-N 3.46Å; R353-N357 PolarHBondContact O-ND2 3.46Å; R353-N357 PolarHBondContact O-OD1 2.92Å; R353-Q394 VanDerWaalsContact NH2-CG 3.3Å
354I70.2Confident70.8Confident87 Ų8781.3 Ų81.345%0.44641%0.414SS..Hα-helixtrans-58-48.7172.3-68169.9000109.5V350 L351 R356 N357 T358V350-I354 HydrophobicContact CG1-CD1 3.7Å; V350-I354 HydrophobicContact CG1-CG1 4.33Å; V350-I354 WeakPolarHBondContact O-CG1 3.28Å; V350-I354 PolarHBondContact O-N 3.01Å; L351-I354 PolarHBondContact O-N 3.4Å; I354-R356 PolarHBondContact O-N 2.94Å; I354-N357 CarbonylContact O-C 3.4Å; I354-N357 WeakPolarHBondContact O-CB 3.43Å; I354-N357 PolarHBondContact O-N 3.01Å; I354-N357 VanDerWaalsContact O-N 3.08Å; I354-T358 WeakPolarHBondContact O-CB 3.39Å; I354-T358 PolarHBondContact O-N 3.45Å; I354-T358 PolarHBondContact O-OG1 2.95Å
355D72.5Confident70.1Confident105 Ų10580 Ų8056%0.56141%0.406SS*.Hα-helixtrans-61.3-43.4179.3-169.255.4000112.3L351 R353 N357 T358 T359L351-D355 WeakPolarHBondContact O-CB 3.32Å; L351-D355 PolarHBondContact O-N 3.35Å; R353-D355 VanDerWaalsContact C-N 3.34Å; D355-N357 VanDerWaalsContact C-N 3.34Å; D355-N357 PolarHBondContact O-N 2.84Å; D355-T358 PolarHBondContact O-N 3.07Å; D355-T359 WeakPolarHBondContact O-CB 3.27Å; D355-T359 WeakPolarHBondContact O-CG2 3.32Å; D355-T359 PolarHBondContact O-N 3.23Å; D355-T359 PolarHBondContact O-OG1 2.93Å
356R69.1Low69.6Low120 Ų12078.4 Ų78.445%0.45341%0.406SS..Hα-helixtrans-60.2-40.6171.5-79.6-178.5-73.2173.6-6.1113S352 R353 I354 T359 M360S352-R356 WeakPolarHBondContact O-CB 3.33Å; S352-R356 VanDerWaalsContact O-CG 3.26Å; S352-R356 WeakPolarHBondContact O-CG 3.32Å; S352-R356 PolarHBondContact O-N 3.46Å; S352-R356 PolarHBondContact O-NE 3.22Å; S352-R356 PolarHBondContact OG-NH2 3.36Å; R353-R356 PolarHBondContact O-N 2.8Å; I354-R356 PolarHBondContact O-N 2.94Å; R356-T359 WeakPolarHBondContact CA-OG1 3.47Å; R356-T359 PolarHBondContact O-OG1 3.08Å; R356-M360 WeakPolarHBondContact O-CB 3.34Å; R356-M360 PolarHBondContact O-N 3.06Å
357N65.3Low69.2Low30 Ų3081.6 Ų81.616%0.1642%0.423CS..Hα-helixtrans-70.3-39.1177.6-66.7-14.5000111.2R353 I354 D355 M360 L361 L390R353-N357 WeakPolarHBondContact O-CB 3.44Å; R353-N357 PolarHBondContact O-N 3.46Å; R353-N357 PolarHBondContact O-ND2 3.46Å; R353-N357 PolarHBondContact O-OD1 2.92Å; I354-N357 CarbonylContact O-C 3.4Å; I354-N357 WeakPolarHBondContact O-CB 3.43Å; I354-N357 PolarHBondContact O-N 3.01Å; I354-N357 VanDerWaalsContact O-N 3.08Å; D355-N357 VanDerWaalsContact C-N 3.34Å; D355-N357 PolarHBondContact O-N 2.84Å; N357-M360 PolarHBondContact O-N 3.21Å; N357-L361 WeakPolarHBondContact O-CB 3.36Å; N357-L361 VanDerWaalsContact O-CG 3.25Å; N357-L361 WeakPolarHBondContact O-CG 3.25Å; N357-L361 PolarHBondContact O-N 3.35Å; N357-L390 VanDerWaalsContact ND2-CD2 3.31Å; N357-L390 WeakPolarHBondContact ND2-CD2 3.37Å
358T63Low68.7Low57 Ų5780.8 Ų80.835%0.3542%0.419SS..Hα-helixtrans-66-44.6177-58.50000111.3I354 D355 L361 Q362I354-T358 WeakPolarHBondContact O-CB 3.39Å; I354-T358 PolarHBondContact O-N 3.45Å; I354-T358 PolarHBondContact O-OG1 2.95Å; D355-T358 PolarHBondContact O-N 3.07Å; T358-L361 PolarHBondContact O-N 3.44Å; T358-Q362 WeakPolarHBondContact O-CB 3.21Å; T358-Q362 VanDerWaalsContact O-CG 3.29Å; T358-Q362 WeakPolarHBondContact O-CG 3.41Å; T358-Q362 PolarHBondContact O-N 2.8Å
359T67.6Low67.9Low68 Ų6875.4 Ų75.442%0.41741%0.406SS..Hα-helixtrans-62.9-41.2175.548.70000111.8D355 R356 Q362 S363D355-T359 WeakPolarHBondContact O-CB 3.27Å; D355-T359 WeakPolarHBondContact O-CG2 3.32Å; D355-T359 PolarHBondContact O-N 3.23Å; D355-T359 PolarHBondContact O-OG1 2.93Å; R356-T359 WeakPolarHBondContact CA-OG1 3.47Å; R356-T359 PolarHBondContact O-OG1 3.08Å; T359-Q362 PolarHBondContact O-N 3.5Å; T359-S363 PolarHBondContact O-N 3.3Å
360M64.8Low67.3Low80 Ų8079.3 Ų79.339%0.39442%0.424SS..Hα-helixtrans-64.1-42.8173-174.1-179.1-179.400112.3R356 N357 Q362 S363 V364 V393R356-M360 WeakPolarHBondContact O-CB 3.34Å; R356-M360 PolarHBondContact O-N 3.06Å; N357-M360 PolarHBondContact O-N 3.21Å; M360-Q362 VanDerWaalsContact C-N 3.3Å; M360-Q362 PolarHBondContact O-N 3.23Å; M360-S363 PolarHBondContact O-N 3.28Å; M360-S363 PolarHBondContact O-OG 3.36Å; M360-V364 WeakPolarHBondContact O-CG2 3.31Å; M360-V364 PolarHBondContact O-N 2.91Å; M360-V393 HydrophobicContact CE-CG1 4.35Å; M360-V393 HydrophobicContact CE-CG2 3.9Å; M360-V393 HydrophobicContact SD-CG1 4.22Å; M360-V393 HydrophobicContact SD-CG2 4.46Å
361L61.9Low66.7Low45 Ų4582.9 Ų82.924%0.23644%0.436CS..Hα-helixtrans-63.4-39.2175.1-77.5167.3000111.4N357 T358 S363 V364 L365 L386 L389N357-L361 WeakPolarHBondContact O-CB 3.36Å; N357-L361 VanDerWaalsContact O-CG 3.25Å; N357-L361 WeakPolarHBondContact O-CG 3.25Å; N357-L361 PolarHBondContact O-N 3.35Å; T358-L361 PolarHBondContact O-N 3.44Å; L361-S363 VanDerWaalsContact C-N 3.34Å; L361-V364 PolarHBondContact O-N 3.01Å; L361-L365 WeakPolarHBondContact O-CB 3.5Å; L361-L365 PolarHBondContact O-N 3.41Å; L361-L386 HydrophobicContact CD1-CD1 4.04Å; L361-L386 HydrophobicContact CD1-CD2 3.85Å; L361-L386 HydrophobicContact CD1-CG 3.74Å; L361-L389 HydrophobicContact CD2-CD1 3.48Å; L361-L389 VanDerWaalsContact CD2-CD1 3.48Å
362Q66.3Low65.9Low122 Ų12281.3 Ų81.357%0.5743%0.427SS*.Hα-helixtrans-65.3-36.7175-76175.9-3.800112T358 T359 M360 S366T358-Q362 WeakPolarHBondContact O-CB 3.21Å; T358-Q362 VanDerWaalsContact O-CG 3.29Å; T358-Q362 WeakPolarHBondContact O-CG 3.41Å; T358-Q362 PolarHBondContact O-N 2.8Å; T359-Q362 PolarHBondContact O-N 3.5Å; M360-Q362 VanDerWaalsContact C-N 3.3Å; M360-Q362 PolarHBondContact O-N 3.23Å; Q362-S366 WeakPolarHBondContact O-CB 3.45Å; Q362-S366 PolarHBondContact O-N 3.38Å; Q362-S366 PolarHBondContact O-OG 3.25Å
363S68.3Low64.9Low52 Ų5284.2 Ų84.236%0.36443%0.432SS..Hα-helixtrans-69.4-43.8175.474.50000111.8T359 M360 L361 L365 S366 D367T359-S363 PolarHBondContact O-N 3.3Å; M360-S363 PolarHBondContact O-N 3.28Å; M360-S363 PolarHBondContact O-OG 3.36Å; L361-S363 VanDerWaalsContact C-N 3.34Å; S363-L365 VanDerWaalsContact C-N 3.33Å; S363-L365 PolarHBondContact O-N 3.39Å; S363-S366 VanDerWaalsContact CA-OG 3.32Å; S363-S366 WeakPolarHBondContact CA-OG 3.44Å; S363-S366 WeakPolarHBondContact O-CA 3.01Å; S363-S366 PolarHBondContact O-N 3.15Å; S363-S366 VanDerWaalsContact O-N 3.07Å; S363-S366 PolarHBondContact O-OG 3.35Å; S363-D367 PolarHBondContact O-N 3.31Å
364V65.7Low64.5Low61 Ų6185 Ų8537%0.3745%0.453SS..Hα-helixtrans-61.7-45.1174.2173.40000110.3M360 L361 S366 D367 L368M360-V364 WeakPolarHBondContact O-CG2 3.31Å; M360-V364 PolarHBondContact O-N 2.91Å; L361-V364 PolarHBondContact O-N 3.01Å; V364-S366 PolarHBondContact O-N 2.94Å; V364-D367 PolarHBondContact O-N 3.17Å; V364-L368 WeakPolarHBondContact O-CG 3.34Å; V364-L368 PolarHBondContact O-N 3.09Å; V364-L368 VanDerWaalsContact O-N 3.15Å
365L63.6Low63.9Low64 Ų6488.2 Ų88.234%0.33547%0.471SS..Hα-helixtrans-61.9-36175.1-158.894.7000110.8L361 S363 D367 L368 R373 L381L361-L365 WeakPolarHBondContact O-CB 3.5Å; L361-L365 PolarHBondContact O-N 3.41Å; S363-L365 VanDerWaalsContact C-N 3.33Å; S363-L365 PolarHBondContact O-N 3.39Å; L365-D367 VanDerWaalsContact C-N 3.35Å; L365-L368 PolarHBondContact O-N 3.16Å; L365-R373 PolarHBondContact O-NE 3.39Å; L365-R373 PolarHBondContact O-NH1 3.3Å; L365-R373 VanDerWaalsContact O-NH1 3.08Å; L365-R373 PolarHBondContact O-NH2 2.83Å; L365-R373 VanDerWaalsContact O-NH2 3.14Å; L365-L381 HydrophobicContact CD1-CD2 3.57Å
366S67.4Low63.1Low60 Ų6085.8 Ų85.842%0.4246%0.459SS..Hα-helixtrans-64.4-36.9175.871.50000114.2Q362 S363 V364 R373Q362-S366 WeakPolarHBondContact O-CB 3.45Å; Q362-S366 PolarHBondContact O-N 3.38Å; Q362-S366 PolarHBondContact O-OG 3.25Å; S363-S366 VanDerWaalsContact CA-OG 3.32Å; S363-S366 WeakPolarHBondContact CA-OG 3.44Å; S363-S366 WeakPolarHBondContact O-CA 3.01Å; S363-S366 PolarHBondContact O-N 3.15Å; S363-S366 VanDerWaalsContact O-N 3.07Å; S363-S366 PolarHBondContact O-OG 3.35Å; V364-S366 PolarHBondContact O-N 2.94Å; S366-R373 VanDerWaalsContact CA-NH2 3.27Å; S366-R373 PolarHBondContact O-NH1 2.69Å
367D66.8Low62.5Low134 Ų13484.7 Ų84.772%0.71746%0.463SS*.Hα-helixtrans-79.9-18.3-178.5-63-13.7000112.6S363 V364 L365S363-D367 PolarHBondContact O-N 3.31Å; V364-D367 PolarHBondContact O-N 3.17Å; L365-D367 VanDerWaalsContact C-N 3.35Å
368L63.4Low62Low52 Ų5293.6 Ų93.627%0.27249%0.494SS..SBendtrans-68.1135172.6-70.8171.3000111.5V364 L365 I372 R373V364-L368 WeakPolarHBondContact O-CG 3.34Å; V364-L368 PolarHBondContact O-N 3.09Å; V364-L368 VanDerWaalsContact O-N 3.15Å; L365-L368 PolarHBondContact O-N 3.16Å; L368-I372 HydrophobicContact CD1-CG2 4.43Å; L368-I372 HydrophobicContact CD2-CD1 4.21Å; L368-I372 HydrophobicContact CD2-CG2 4.18Å; L368-R373 HydrophobicContact CB-CG 4.47Å; L368-R373 PolarHBondContact O-NH1 2.83Å
369S62.3Low61.5Low54 Ų5493.8 Ų93.838%0.37850%0.497SS..  trans-57.9152.3176.975.10000111.7E371 I372 R373S369-E371 PolarHBondContact O-N 3.34Å; S369-E371 VanDerWaalsContact O-N 3.15Å; S369-I372 PolarHBondContact O-N 3.44Å; S369-I372 VanDerWaalsContact O-N 3.15Å; S369-R373 PolarHBondContact O-N 3.37Å; S369-R373 VanDerWaalsContact O-N 3.14Å
370M61.4Low60.8Low166 Ų16694.7 Ų94.782%0.81850%0.5SS*.Hα-helixtrans-53.9-34.2178-104.2-168.8-43.900112.8R373 A374M370-R373 PolarHBondContact O-N 3.38Å; M370-A374 PolarHBondContact O-N 3.09Å
371E58.6Low60.3Low154 Ų15493 Ų9372%0.7249%0.492SS*.Hα-helixtrans-66.5-43.2-179.6-67.2168.6169.900111.8S369 A374 L375S369-E371 PolarHBondContact O-N 3.34Å; S369-E371 VanDerWaalsContact O-N 3.15Å; E371-A374 PolarHBondContact O-N 3.21Å; E371-L375 PolarHBondContact O-N 3.2Å
372I59.2Low59.9Low81 Ų8195 Ų9542%0.41551%0.506SS..Hα-helixtrans-69.5-40.5178.2-62.2171.2000110.4L368 S369 A374 L375 V376L368-I372 HydrophobicContact CD1-CG2 4.43Å; L368-I372 HydrophobicContact CD2-CD1 4.21Å; L368-I372 HydrophobicContact CD2-CG2 4.18Å; S369-I372 PolarHBondContact O-N 3.44Å; S369-I372 VanDerWaalsContact O-N 3.15Å; I372-A374 PolarHBondContact O-N 3.31Å; I372-L375 PolarHBondContact O-N 2.8Å; I372-L375 VanDerWaalsContact O-N 3.14Å; I372-V376 HydrophobicContact CG2-CG2 4.3Å; I372-V376 WeakPolarHBondContact O-CG2 3.38Å; I372-V376 PolarHBondContact O-N 3.17Å
373R56.3Low59.1Low106 Ų10694.7 Ų94.740%0.451%0.507SS..Hα-helixtrans-58.6-30.4175.8-84.9172.8151.3138.9-22.3113.8L365 S366 L368 S369 M370L365-R373 PolarHBondContact O-NE 3.39Å; L365-R373 PolarHBondContact O-NH1 3.3Å; L365-R373 VanDerWaalsContact O-NH1 3.08Å; L365-R373 PolarHBondContact O-NH2 2.83Å; L365-R373 VanDerWaalsContact O-NH2 3.14Å; S366-R373 VanDerWaalsContact CA-NH2 3.27Å; S366-R373 PolarHBondContact O-NH1 2.69Å; L368-R373 HydrophobicContact CB-CG 4.47Å; L368-R373 PolarHBondContact O-NH1 2.83Å; S369-R373 PolarHBondContact O-N 3.37Å; S369-R373 VanDerWaalsContact O-N 3.14Å; M370-R373 PolarHBondContact O-N 3.38Å
374A61.8Low58.3Low88 Ų8897.2 Ų97.273%0.72752%0.517SS*.Hα-helixtrans-78.2-27179.200000112.9M370 E371 I372M370-A374 PolarHBondContact O-N 3.09Å; E371-A374 PolarHBondContact O-N 3.21Å; I372-A374 PolarHBondContact O-N 3.31Å
375L57Low57.8Low154 Ų15497.1 Ų97.181%0.80652%0.516SS*.Hα-helixtrans-82.6-24178.9-100.1106.7000113.8E371 I372E371-L375 PolarHBondContact O-N 3.2Å; I372-L375 PolarHBondContact O-N 2.8Å; I372-L375 VanDerWaalsContact O-N 3.14Å
376V55.6Low57.3Low54 Ų5496 Ų9633%0.32751%0.51SS..SBendtrans-95.9107.3-174.7-178.40000109.4I372 R378 L381I372-V376 HydrophobicContact CG2-CG2 4.3Å; I372-V376 WeakPolarHBondContact O-CG2 3.38Å; I372-V376 PolarHBondContact O-N 3.17Å; V376-R378 PolarHBondContact O-N 3.09Å; V376-L381 HydrophobicContact CG1-CB 3.71Å; V376-L381 HydrophobicContact CG1-CD1 3.8Å; V376-L381 HydrophobicContact CG1-CG 4.27Å
377D57Low56.5Low97 Ų9796.3 Ų96.352%0.51951%0.511SS..  trans-60.1132.2167.1-165.513.6000108.4S379 D380D377-S379 PolarHBondContact O-N 3.21Å; D377-S379 PolarHBondContact OD2-OG 3.15Å; D377-D380 PolarHBondContact O-N 3.14Å
378R54.9Low55.8Low216 Ų21696.8 Ų96.882%0.81551%0.507SS*.Hα-helixtrans-57.5-28.1-171.4-70.4-176.1-179.2-177.30.7112V376 V382V376-R378 PolarHBondContact O-N 3.09Å; R378-V382 WeakPolarHBondContact O-CG2 3.47Å
379S51.7Low55.3Low61 Ų6196.6 Ų96.643%0.42751%0.506SS..Hα-helixtrans-60.8-47.2177.2-32.40000112.2D377 V382 I383D377-S379 PolarHBondContact O-N 3.21Å; D377-S379 PolarHBondContact OD2-OG 3.15Å; S379-V382 PolarHBondContact O-N 3.14Å; S379-I383 PolarHBondContact O-N 3.4Å
380D53.6Low54.7Low88 Ų8897.1 Ų97.147%0.47150%0.504SS..Hα-helixtrans-75.2-37.2-168.7-66.2-15.7000111.2D377 V382 I383 D384D377-D380 PolarHBondContact O-N 3.14Å; D380-V382 VanDerWaalsContact C-N 3.25Å; D380-V382 PolarHBondContact O-N 3.47Å; D380-I383 PolarHBondContact O-N 3.03Å; D380-D384 WeakPolarHBondContact O-CB 3.46Å; D380-D384 PolarHBondContact O-N 3.15Å
381L54.4Low54Low45 Ų4595.9 Ų95.924%0.23650%0.5CS..Iπ-helixtrans-60.9-38175.5-157.981.6000111.9L365 V376 V385 L386L365-L381 HydrophobicContact CD1-CD2 3.57Å; V376-L381 HydrophobicContact CG1-CB 3.71Å; V376-L381 HydrophobicContact CG1-CD1 3.8Å; V376-L381 HydrophobicContact CG1-CG 4.27Å; L381-V385 HydrophobicContact CD1-CB 4.27Å; L381-V385 HydrophobicContact CD1-CG2 3.74Å; L381-V385 HydrophobicContact CG-CB 4.32Å; L381-V385 HydrophobicContact CG-CG2 4.22Å; L381-V385 WeakPolarHBondContact O-CB 3.49Å; L381-V385 PolarHBondContact O-N 3.15Å; L381-V385 VanDerWaalsContact O-N 3.15Å; L381-L386 PolarHBondContact O-N 3.29Å
382V52.2Low53.6Low86 Ų8694.7 Ų94.752%0.52150%0.497SS..Iπ-helixtrans-73-32.6-177.31700000111.8R378 S379 D380 L386R378-V382 WeakPolarHBondContact O-CG2 3.47Å; S379-V382 PolarHBondContact O-N 3.14Å; D380-V382 VanDerWaalsContact C-N 3.25Å; D380-V382 PolarHBondContact O-N 3.47Å; V382-L386 HydrophobicContact CB-CD1 4.16Å; V382-L386 HydrophobicContact CG1-CD1 3.7Å; V382-L386 HydrophobicContact CG2-CD1 4.35Å; V382-L386 WeakPolarHBondContact O-CB 3.46Å; V382-L386 WeakPolarHBondContact O-CD1 3.23Å
383I49.9Very low53.3Low116 Ų11693.5 Ų93.560%0.59549%0.493SS*.Iπ-helixtrans-86.2-46.4-178.4-65.1175000110.6S379 D380 P387S379-I383 PolarHBondContact O-N 3.4Å; D380-I383 PolarHBondContact O-N 3.03Å; I383-P387 WeakPolarHBondContact O-CD 3.37Å; I383-P387 WeakPolarHBondContact O-CG 3.46Å
384D52.4Low53Low105 Ų10591.9 Ų91.956%0.56149%0.49SS*.Iπ-helixtrans-88.9-38.4-169.5-69.8-21.7000112.9D380 F388D380-D384 WeakPolarHBondContact O-CB 3.46Å; D380-D384 PolarHBondContact O-N 3.15Å; D384-F388 WeakPolarHBondContact O-CD2 3.5Å
385V54.8Low52.1Low58 Ų5893.2 Ų93.235%0.35249%0.492SS..Iπ-helixtrans-93.3-32.3-171.9-1710000111.9L381 F388 L389L381-V385 HydrophobicContact CD1-CB 4.27Å; L381-V385 HydrophobicContact CD1-CG2 3.74Å; L381-V385 HydrophobicContact CG-CB 4.32Å; L381-V385 HydrophobicContact CG-CG2 4.22Å; L381-V385 WeakPolarHBondContact O-CB 3.49Å; L381-V385 PolarHBondContact O-N 3.15Å; L381-V385 VanDerWaalsContact O-N 3.15Å; V385-F388 PolarHBondContact O-N 2.98Å; V385-F388 VanDerWaalsContact O-N 3.13Å; V385-L389 HydrophobicContact CG1-CD1 3.68Å; V385-L389 HydrophobicContact CG1-CG 4.09Å; V385-L389 PolarHBondContact O-N 3.11Å
386L53.2Low51.5Low42 Ų4293.2 Ų93.222%0.2249%0.488CS..Hα-helixtrans-61.5-41.9-173.5-133.2171.1000113.5L361 L381 V382 F388 L390L361-L386 HydrophobicContact CD1-CD1 4.04Å; L361-L386 HydrophobicContact CD1-CD2 3.85Å; L361-L386 HydrophobicContact CD1-CG 3.74Å; L381-L386 PolarHBondContact O-N 3.29Å; V382-L386 HydrophobicContact CB-CD1 4.16Å; V382-L386 HydrophobicContact CG1-CD1 3.7Å; V382-L386 HydrophobicContact CG2-CD1 4.35Å; V382-L386 WeakPolarHBondContact O-CB 3.46Å; V382-L386 WeakPolarHBondContact O-CD1 3.23Å; L386-F388 PolarHBondContact O-N 3.45Å; L386-L390 HydrophobicContact CD2-CD1 3.84Å; L386-L390 HydrophobicContact CD2-CG 4.31Å; L386-L390 WeakPolarHBondContact O-CB 3.45Å; L386-L390 WeakPolarHBondContact O-CG 3.18Å; L386-L390 PolarHBondContact O-N 2.98Å
387P49.5Very low50.9Low66 Ų6698.1 Ų98.143%0.42951%0.51SS..Hα-helixtrans-62.4-40.6172.9-21.733.4000112.5I383 L390 L391I383-P387 WeakPolarHBondContact O-CD 3.37Å; I383-P387 WeakPolarHBondContact O-CG 3.46Å; P387-L390 PolarHBondContact O-N 3.45Å; P387-L391 WeakPolarHBondContact O-CB 3.32Å; P387-L391 PolarHBondContact O-N 3.49Å
388F52.7Low49.9Very low144 Ų14498.6 Ų98.663%0.63252%0.517SS*.Hα-helixtrans-70-41.6179.2-82-83.4000112.3D384 V385 L386 L390 L391 I392D384-F388 WeakPolarHBondContact O-CD2 3.5Å; V385-F388 PolarHBondContact O-N 2.98Å; V385-F388 VanDerWaalsContact O-N 3.13Å; L386-F388 PolarHBondContact O-N 3.45Å; F388-L390 VanDerWaalsContact C-N 3.33Å; F388-L390 PolarHBondContact O-N 2.98Å; F388-L391 PolarHBondContact O-N 2.83Å; F388-I392 WeakPolarHBondContact O-CB 3.38Å; F388-I392 WeakPolarHBondContact O-CD1 3.48Å; F388-I392 WeakPolarHBondContact O-CG1 3.25Å; F388-I392 PolarHBondContact O-N 3.48Å
389L52.4Low49Very low48 Ų4892.4 Ų92.425%0.25151%0.507SS..Hα-helixtrans-62.1-41173.7-90.9166.3000111.5L361 V385 L391 I392 V393L361-L389 HydrophobicContact CD2-CD1 3.48Å; L361-L389 VanDerWaalsContact CD2-CD1 3.48Å; V385-L389 HydrophobicContact CG1-CD1 3.68Å; V385-L389 HydrophobicContact CG1-CG 4.09Å; V385-L389 PolarHBondContact O-N 3.11Å; L389-L391 VanDerWaalsContact C-N 3.35Å; L389-I392 PolarHBondContact O-N 3.22Å; L389-V393 VanDerWaalsContact O-CB 3.32Å; L389-V393 WeakPolarHBondContact O-CB 3.2Å; L389-V393 VanDerWaalsContact O-CG2 3.23Å; L389-V393 WeakPolarHBondContact O-CG2 3.43Å; L389-V393 PolarHBondContact O-N 3.13Å
390L50Low48.4Very low65 Ų6596.5 Ų96.534%0.3453%0.529SS..Hα-helixtrans-60.5-43.3173.2-87.9162.5000112N357 L386 P387 F388 Q394N357-L390 VanDerWaalsContact ND2-CD2 3.31Å; N357-L390 WeakPolarHBondContact ND2-CD2 3.37Å; L386-L390 HydrophobicContact CD2-CD1 3.84Å; L386-L390 HydrophobicContact CD2-CG 4.31Å; L386-L390 WeakPolarHBondContact O-CB 3.45Å; L386-L390 WeakPolarHBondContact O-CG 3.18Å; L386-L390 PolarHBondContact O-N 2.98Å; P387-L390 PolarHBondContact O-N 3.45Å; F388-L390 VanDerWaalsContact C-N 3.33Å; F388-L390 PolarHBondContact O-N 2.98Å; L390-Q394 PolarHBondContact O-N 2.76Å
391L46.5Very low47.5Very low139 Ų13998.3 Ų98.373%0.72854%0.543SS*.Hα-helixtrans-67.4-39.6179-122.1133.2000112.8P387 F388 L389P387-L391 WeakPolarHBondContact O-CB 3.32Å; P387-L391 PolarHBondContact O-N 3.49Å; F388-L391 PolarHBondContact O-N 2.83Å; L389-L391 VanDerWaalsContact C-N 3.35Å
392I50.2Low46.5Very low129 Ų129102.8 Ų102.866%0.66260%0.6SS**Hα-helixtrans-72.4-36.6-179.9-68165.2000110.8F388 L389F388-I392 WeakPolarHBondContact O-CB 3.38Å; F388-I392 WeakPolarHBondContact O-CD1 3.48Å; F388-I392 WeakPolarHBondContact O-CG1 3.25Å; F388-I392 PolarHBondContact O-N 3.48Å; L389-I392 PolarHBondContact O-N 3.22Å
393V52.7Low46.2Very low57 Ų57103.6 Ų103.635%0.34560%0.604SS.*Hα-helixtrans-92-15.5-173.5-177.50000113M360 L389M360-V393 HydrophobicContact CE-CG1 4.35Å; M360-V393 HydrophobicContact CE-CG2 3.9Å; M360-V393 HydrophobicContact SD-CG1 4.22Å; M360-V393 HydrophobicContact SD-CG2 4.46Å; L389-V393 VanDerWaalsContact O-CB 3.32Å; L389-V393 WeakPolarHBondContact O-CB 3.2Å; L389-V393 VanDerWaalsContact O-CG2 3.23Å; L389-V393 WeakPolarHBondContact O-CG2 3.43Å; L389-V393 PolarHBondContact O-N 3.13Å
394Q51.9Low46Very low71 Ų71102.9 Ų102.933%0.33260%0.604SS.*  trans-121.392.8174.5-75.7-159.9-82.800114.1R353 L390 E396R353-Q394 VanDerWaalsContact NH2-CG 3.3Å; L390-Q394 PolarHBondContact O-N 2.76Å; Q394-E396 VanDerWaalsContact C-N 3.26Å; Q394-E396 PolarHBondContact O-N 3.28Å
395P42.6Very low45.7Very low117 Ų117102.8 Ų102.876%0.7661%0.607SS**  trans-74.5-7.6169.2-13.429000114.6
396E43.3Very low45.1Very low154 Ų154105.5 Ų105.572%0.7262%0.622SS**  trans-118.770.8-168.2-66.6-178.6178.400112.4Q394Q394-E396 VanDerWaalsContact C-N 3.26Å; Q394-E396 PolarHBondContact O-N 3.28Å
397I42.8Very low44.6Very low156 Ų156109.4 Ų109.480%0.865%0.647SS**  trans-97.264.4143.8-52.5175.5000105.7S399I397-S399 PolarHBondContact O-N 3.27Å
398T36.8Very low44.3Very low108 Ų108112.3 Ų112.366%0.66366%0.662SS**  trans-69.1116.7161.932.90000106.1V400T398-V400 PolarHBondContact O-N 3.25Å; T398-V400 VanDerWaalsContact O-N 3.11Å
399S36.4Very low43.7Very low86 Ų86110.1 Ų110.160%0.60166%0.664SS**  trans-48.8120.9174.256.40000108.7I397 T401I397-S399 PolarHBondContact O-N 3.27Å; S399-T401 PolarHBondContact O-N 2.87Å
400V39.1Very low43Very low147 Ų147114.8 Ų114.889%0.89170%0.695SS**  trans-71.675166.8-174.30000106.9T398T398-V400 PolarHBondContact O-N 3.25Å; T398-V400 VanDerWaalsContact O-N 3.11Å
401T33Very low42.4Very low125 Ų125119 Ų11977%0.76773%0.725SS**  trans-94.686.6158.950.80000105.4S399S399-T401 PolarHBondContact O-N 2.87Å
402G34.2Very low42.1Very low139 Ų139117.2 Ų117.2100%1.43373%0.725SS**  trans-137.90172.100000108.7

Retrieved 402 of 402 residues in 339.9 ms (Link to these results)

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