A0A087YD47_POEFO Loading...

Tudor domain-containing protein 5

AlphaFold DB , UniProt , Accession A0A087YD47, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 896 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
1M60Low84.1Confident167 Ų16779.5 Ų79.582%0.82341%0.406SS*.  01220-163.5-174.5-55.700107E5 L6M1-E5 WeakPolarHBondContact CA-OE2 3.22Å; M1-E5 HydrophobicContact CG-CB 3.69Å; M1-E5 VanDerWaalsContact CG-OE2 3.27Å; M1-E5 WeakPolarHBondContact CG-OE2 3.15Å; M1-L6 HydrophobicContact SD-CB 4.19Å; M1-L6 HydrophobicContact SD-CD1 3.91Å
2S82.9Confident84.7Confident49 Ų4986.2 Ų86.234%0.34343%0.43SS..  trans-72.4164178.464.70000112.1E4 E5 L6S2-E4 PolarHBondContact O-N 3.35Å; S2-E5 VanDerWaalsContact CB-OE1 3.25Å; S2-E5 WeakPolarHBondContact CB-OE1 3.37Å; S2-E5 PolarHBondContact N-OE1 3.16Å; S2-E5 PolarHBondContact N-OE2 2.96Å; S2-E5 PolarHBondContact O-N 3.15Å; S2-E5 WeakPolarHBondContact OG-CB 3.49Å; S2-E5 VanDerWaalsContact OG-CG 3.24Å; S2-E5 WeakPolarHBondContact OG-CG 3.49Å; S2-E5 PolarHBondContact OG-N 3.04Å; S2-E5 VanDerWaalsContact OG-N 3.11Å; S2-E5 PolarHBondContact OG-OE1 3.19Å; S2-L6 WeakPolarHBondContact O-CB 3.49Å; S2-L6 PolarHBondContact O-N 3.38Å
3Q74.6Confident85.3Confident129 Ų12981.1 Ų81.160%0.60341%0.405SS*.Hα-helixtrans-62-31.1174.5-169.4179-7.800111.6L7 L47Q3-L7 WeakPolarHBondContact O-CB 3.4Å; Q3-L7 PolarHBondContact O-N 3.2Å; Q3-L47 HydrophobicContact CG-CD2 3.85Å; Q3-L47 WeakPolarHBondContact O-CD2 3.43Å
4E82.4Confident85.9Confident159 Ų15975.3 Ų75.374%0.74338%0.376SS*.Hα-helixtrans-74.2-44177.5-172.1165.8-154.200112.3S2 L6 L7 A8S2-E4 PolarHBondContact O-N 3.35Å; E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.47Å; E4-L7 PolarHBondContact O-N 3.41Å; E4-A8 WeakPolarHBondContact O-CB 3.45Å; E4-A8 PolarHBondContact O-N 2.76Å
5E86.9Confident86.1Confident103 Ų10373.7 Ų73.748%0.48136%0.364SS..Hα-helixtrans-57.1-43.5169.6-75.2152-124.900111.9M1 S2 A8 K9M1-E5 WeakPolarHBondContact CA-OE2 3.22Å; M1-E5 HydrophobicContact CG-CB 3.69Å; M1-E5 VanDerWaalsContact CG-OE2 3.27Å; M1-E5 WeakPolarHBondContact CG-OE2 3.15Å; S2-E5 VanDerWaalsContact CB-OE1 3.25Å; S2-E5 WeakPolarHBondContact CB-OE1 3.37Å; S2-E5 PolarHBondContact N-OE1 3.16Å; S2-E5 PolarHBondContact N-OE2 2.96Å; S2-E5 PolarHBondContact O-N 3.15Å; S2-E5 WeakPolarHBondContact OG-CB 3.49Å; S2-E5 VanDerWaalsContact OG-CG 3.24Å; S2-E5 WeakPolarHBondContact OG-CG 3.49Å; S2-E5 PolarHBondContact OG-N 3.04Å; S2-E5 VanDerWaalsContact OG-N 3.11Å; S2-E5 PolarHBondContact OG-OE1 3.19Å; E5-A8 PolarHBondContact O-N 3.08Å; E5-K9 WeakPolarHBondContact O-CB 3.08Å; E5-K9 PolarHBondContact O-N 3.16Å
6L85.9Confident86.4Confident33 Ų3374.2 Ų74.217%0.17338%0.377CS..Hα-helixtrans-66.4-38.2-180-175.964.7000111.7M1 S2 E4 L10 P43 V46 L47M1-L6 HydrophobicContact SD-CB 4.19Å; M1-L6 HydrophobicContact SD-CD1 3.91Å; S2-L6 WeakPolarHBondContact O-CB 3.49Å; S2-L6 PolarHBondContact O-N 3.38Å; E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.47Å; L6-L10 WeakPolarHBondContact O-CB 3.26Å; L6-L10 PolarHBondContact O-N 2.84Å; L6-P43 HydrophobicContact CD1-CB 4.24Å; L6-P43 HydrophobicContact CD1-CG 4.11Å; L6-P43 HydrophobicContact CD2-CB 4.21Å; L6-P43 HydrophobicContact CG-CB 4.36Å; L6-P43 HydrophobicContact CG-CG 4.32Å; L6-V46 HydrophobicContact CD2-CB 4.04Å; L6-V46 HydrophobicContact CD2-CG1 3.56Å; L6-L47 HydrophobicContact CB-CD2 4.02Å; L6-L47 HydrophobicContact CD2-CD2 3.87Å; L6-L47 HydrophobicContact CD2-CG 4.12Å; L6-L47 HydrophobicContact CG-CD1 4.4Å; L6-L47 HydrophobicContact CG-CD2 3.89Å; L6-L47 HydrophobicContact CG-CG 4.23Å
7L87.9Confident86.6Confident50 Ų5070.7 Ų70.726%0.26236%0.359SS..Hα-helixtrans-67.3-43.6173.1-177.961.6000111.4Q3 E4 K9 L10 K11 L47 F49 M59Q3-L7 WeakPolarHBondContact O-CB 3.4Å; Q3-L7 PolarHBondContact O-N 3.2Å; E4-L7 PolarHBondContact O-N 3.41Å; L7-K9 VanDerWaalsContact C-N 3.35Å; L7-K9 PolarHBondContact O-N 3.36Å; L7-L10 PolarHBondContact O-N 3.1Å; L7-K11 HydrophobicContact CG-CD 4.49Å; L7-K11 WeakPolarHBondContact O-CG 3.42Å; L7-K11 PolarHBondContact O-N 2.83Å; L7-L47 HydrophobicContact CB-CD2 4.03Å; L7-L47 HydrophobicContact CD1-CD1 4.18Å; L7-F49 HydrophobicContact CD1-CE2 3.87Å; L7-F49 HydrophobicContact CD1-CZ 3.92Å; L7-M59 HydrophobicContact CD1-CE 4.14Å
8A88.3Confident86.9Confident60 Ų6067 Ų6750%0.49634%0.34SS..Hα-helixtrans-62.2-40.9176.900000111.9E4 E5 K11 K12E4-A8 WeakPolarHBondContact O-CB 3.45Å; E4-A8 PolarHBondContact O-N 2.76Å; E5-A8 PolarHBondContact O-N 3.08Å; A8-K11 PolarHBondContact O-N 3.2Å; A8-K12 PolarHBondContact O-N 3.29Å; A8-K12 VanDerWaalsContact O-N 3.16Å
9K91.3Very high87Confident80 Ų8064.4 Ų64.435%0.34833%0.328SS..Hα-helixtrans-59.5-51.9171.2-169.7-163.1169-166.30110.7E5 L7 K11 K12 D13 H40E5-K9 WeakPolarHBondContact O-CB 3.08Å; E5-K9 PolarHBondContact O-N 3.16Å; L7-K9 VanDerWaalsContact C-N 3.35Å; L7-K9 PolarHBondContact O-N 3.36Å; K9-K11 VanDerWaalsContact C-N 3.31Å; K9-K11 PolarHBondContact O-N 2.99Å; K9-K12 WeakPolarHBondContact O-CB 3.49Å; K9-K12 PolarHBondContact O-N 3.19Å; K9-D13 WeakPolarHBondContact CE-OD2 3.23Å; K9-D13 VanDerWaalsContact O-CG 3.24Å; K9-D13 PolarHBondContact O-N 3.43Å; K9-H40 PolarHBondContact NZ-NE2 3.02Å
10L92.9Very high86.8Confident1 Ų165.1 Ų65.11%0.00534%0.339CS..Hα-helixtrans-57.6-42.1-179.9177.258.4000112.5L6 L7 K12 D13 V14 Y34 M42 P43 L47 F49 M55L6-L10 WeakPolarHBondContact O-CB 3.26Å; L6-L10 PolarHBondContact O-N 2.84Å; L7-L10 PolarHBondContact O-N 3.1Å; L10-K12 VanDerWaalsContact C-N 3.33Å; L10-K12 PolarHBondContact O-N 3.45Å; L10-D13 PolarHBondContact O-N 3.31Å; L10-V14 HydrophobicContact CD1-CG2 3.68Å; L10-V14 HydrophobicContact CG-CG2 4.32Å; L10-V14 WeakPolarHBondContact O-CB 3.39Å; L10-V14 WeakPolarHBondContact O-CG2 3.42Å; L10-V14 PolarHBondContact O-N 2.94Å; L10-Y34 HydrophobicContact CD1-CD2 4.39Å; L10-Y34 HydrophobicContact CD1-CE2 3.54Å; L10-M42 HydrophobicContact CD1-CG 3.73Å; L10-M42 HydrophobicContact CD1-SD 4.4Å; L10-P43 HydrophobicContact CD2-CG 4.36Å; L10-L47 HydrophobicContact CB-CD1 4.18Å; L10-L47 HydrophobicContact CD2-CD1 3.38Å; L10-L47 HydrophobicContact CG-CD1 4.42Å; L10-F49 HydrophobicContact CD2-CE2 4.4Å; L10-M55 HydrophobicContact CD1-SD 4.29Å; L10-M55 HydrophobicContact CD2-CG 4.29Å; L10-M55 HydrophobicContact CD2-SD 3.77Å; L10-M55 HydrophobicContact CG-SD 4.2Å
11K92.4Very high86.8Confident44 Ų4463 Ų6319%0.19133%0.331CS..Hα-helixtrans-60.8-40.5176.2-72.7-173.9177.6-161.40112.1L7 A8 K9 R15 M59 E61 V62L7-K11 HydrophobicContact CG-CD 4.49Å; L7-K11 WeakPolarHBondContact O-CG 3.42Å; L7-K11 PolarHBondContact O-N 2.83Å; A8-K11 PolarHBondContact O-N 3.2Å; K9-K11 VanDerWaalsContact C-N 3.31Å; K9-K11 PolarHBondContact O-N 2.99Å; K11-R15 WeakPolarHBondContact O-CB 3.48Å; K11-R15 PolarHBondContact O-N 2.76Å; K11-R15 VanDerWaalsContact O-N 3.09Å; K11-M59 HydrophobicContact CD-CB 4.41Å; K11-M59 HydrophobicContact CG-CB 4.46Å; K11-M59 HydrophobicContact CG-CE 3.83Å; K11-M59 HydrophobicContact CG-SD 4.02Å; K11-E61 WeakPolarHBondContact CD-OE1 3.14Å; K11-E61 WeakPolarHBondContact CE-OE1 3.49Å; K11-E61 IonicContact NZ-OE1 2.86Å; K11-E61 PolarHBondContact NZ-OE1 3.23Å; K11-E61 IonicContact NZ-OE2 3.84Å; K11-V62 HydrophobicContact CB-CG2 3.91Å; K11-V62 HydrophobicContact CD-CG2 3.97Å; K11-V62 HydrophobicContact CG-CG2 3.88Å; K11-V62 WeakPolarHBondContact O-CG1 3.48Å
12K90.8Very high87.9Confident159 Ų15957.8 Ų57.869%0.69130%0.304SS*.Hα-helixtrans-66.2-47.6174.7-177.1-179.1178.1-1790112A8 K9 L10 R15 S16A8-K12 PolarHBondContact O-N 3.29Å; A8-K12 VanDerWaalsContact O-N 3.16Å; K9-K12 WeakPolarHBondContact O-CB 3.49Å; K9-K12 PolarHBondContact O-N 3.19Å; L10-K12 VanDerWaalsContact C-N 3.33Å; L10-K12 PolarHBondContact O-N 3.45Å; K12-R15 PolarHBondContact O-N 3.15Å; K12-S16 PolarHBondContact O-N 2.97Å
13D92.3Very high87.9Confident20 Ų2061.1 Ų61.111%0.10732%0.317CS..Hα-helixtrans-58.8-49.5179.7-66.2-15.8000111.3K9 L10 S16 L17 Y34 L38K9-D13 WeakPolarHBondContact CE-OD2 3.23Å; K9-D13 VanDerWaalsContact O-CG 3.24Å; K9-D13 PolarHBondContact O-N 3.43Å; L10-D13 PolarHBondContact O-N 3.31Å; D13-S16 WeakPolarHBondContact O-CB 3.4Å; D13-S16 PolarHBondContact O-N 3.29Å; D13-L17 WeakPolarHBondContact O-CG 3.24Å; D13-L17 PolarHBondContact O-N 3.37Å; D13-L17 VanDerWaalsContact O-N 3.16Å; D13-Y34 HydrophobicContact CB-CD2 4.39Å; D13-Y34 HydrophobicContact CB-CE2 3.52Å; D13-Y34 PolarHBondContact OD2-OH 3.4Å; D13-L38 HydrophobicContact CB-CD1 3.8Å
14V93.4Very high88.4Confident0 Ų055.3 Ų55.30%029%0.292CS..Hα-helixtrans-65.5-40.7179.6168.40000111.9L10 S16 L17 L18 L30 Y34 M42 M55 V62 V63L10-V14 HydrophobicContact CD1-CG2 3.68Å; L10-V14 HydrophobicContact CG-CG2 4.32Å; L10-V14 WeakPolarHBondContact O-CB 3.39Å; L10-V14 WeakPolarHBondContact O-CG2 3.42Å; L10-V14 PolarHBondContact O-N 2.94Å; V14-S16 VanDerWaalsContact C-N 3.29Å; V14-S16 PolarHBondContact O-N 2.95Å; V14-L17 PolarHBondContact O-N 3.48Å; V14-L18 HydrophobicContact CG1-CD1 3.7Å; V14-L18 HydrophobicContact CG1-CG 4.39Å; V14-L18 WeakPolarHBondContact O-CB 3.3Å; V14-L18 WeakPolarHBondContact O-CG 3.2Å; V14-L18 PolarHBondContact O-N 3.42Å; V14-L30 HydrophobicContact CG1-CD2 4.2Å; V14-Y34 HydrophobicContact CG2-CD2 4.42Å; V14-Y34 HydrophobicContact CG2-CE2 4.46Å; V14-M42 HydrophobicContact CG2-CE 4.06Å; V14-M55 HydrophobicContact CG1-CE 4.42Å; V14-M55 HydrophobicContact CG2-CE 4.13Å; V14-M55 HydrophobicContact CG2-SD 4.38Å; V14-V62 HydrophobicContact CG1-CG1 4.29Å; V14-V63 HydrophobicContact CG1-CG2 3.57Å
15R89.9Confident88.8Confident52 Ų5248.8 Ų48.820%0.19626%0.262CS..Hα-helixtrans-59.8-42.3174.3-166.6175.7-80.6125.5-5.6110.7K11 K12 L18 T19 E61 V62 A77 V78K11-R15 WeakPolarHBondContact O-CB 3.48Å; K11-R15 PolarHBondContact O-N 2.76Å; K11-R15 VanDerWaalsContact O-N 3.09Å; K12-R15 PolarHBondContact O-N 3.15Å; R15-L18 PolarHBondContact O-N 3.02Å; R15-T19 VanDerWaalsContact O-CB 3.3Å; R15-T19 WeakPolarHBondContact O-CB 3.46Å; R15-T19 PolarHBondContact O-N 3.31Å; R15-T19 PolarHBondContact O-OG1 3.36Å; R15-E61 PolarHBondContact NH2-O 2.85Å; R15-V62 HydrophobicContact CB-CG1 4.03Å; R15-A77 HydrophobicContact CG-CB 4.31Å; R15-V78 PolarHBondContact NE-O 3.48Å
16S89.7Confident88.9Confident81 Ų8146.2 Ų46.257%0.56625%0.252SS*.Hα-helixtrans-58.9-53.4179.3-1700000111.9K12 D13 V14 L18 T19 S20K12-S16 PolarHBondContact O-N 2.97Å; D13-S16 WeakPolarHBondContact O-CB 3.4Å; D13-S16 PolarHBondContact O-N 3.29Å; V14-S16 VanDerWaalsContact C-N 3.29Å; V14-S16 PolarHBondContact O-N 2.95Å; S16-L18 PolarHBondContact O-N 3.27Å; S16-T19 PolarHBondContact O-N 2.82Å; S16-S20 PolarHBondContact O-N 3.28Å
17L91.1Very high89Confident15 Ų1545.7 Ų45.78%0.07925%0.25CS..Hα-helixtrans-61.1-41.2-179.8-63.8167.8000112.6D13 V14 S20 A21 L30 D33 Y34 M37D13-L17 WeakPolarHBondContact O-CG 3.24Å; D13-L17 PolarHBondContact O-N 3.37Å; D13-L17 VanDerWaalsContact O-N 3.16Å; V14-L17 PolarHBondContact O-N 3.48Å; L17-S20 PolarHBondContact O-OG 3.32Å; L17-A21 PolarHBondContact O-N 2.72Å; L17-L30 HydrophobicContact CB-CD1 4.03Å; L17-L30 HydrophobicContact CD1-CD1 4.1Å; L17-D33 HydrophobicContact CD2-CB 4.4Å; L17-Y34 HydrophobicContact CD1-CD2 3.7Å; L17-Y34 HydrophobicContact CD1-CG 4.18Å; L17-M37 HydrophobicContact CD2-CB 3.93Å; L17-M37 HydrophobicContact CD2-CG 3.81Å
18L91.6Very high88.8Confident4 Ų446.5 Ų46.52%0.02126%0.255CS..Hα-helixtrans-78-18.8179.3-67.3173.6000113.6V14 R15 S16 L25 L30 V63 L75 A77V14-L18 HydrophobicContact CG1-CD1 3.7Å; V14-L18 HydrophobicContact CG1-CG 4.39Å; V14-L18 WeakPolarHBondContact O-CB 3.3Å; V14-L18 WeakPolarHBondContact O-CG 3.2Å; V14-L18 PolarHBondContact O-N 3.42Å; R15-L18 PolarHBondContact O-N 3.02Å; S16-L18 PolarHBondContact O-N 3.27Å; L18-L25 HydrophobicContact CD2-CB 3.98Å; L18-L25 HydrophobicContact CD2-CD1 4.02Å; L18-L25 HydrophobicContact CD2-CG 4.02Å; L18-L30 HydrophobicContact CD1-CD2 4.32Å; L18-L30 HydrophobicContact CD2-CD1 4.09Å; L18-L30 HydrophobicContact CD2-CD2 4.37Å; L18-L30 HydrophobicContact CG-CD1 4.05Å; L18-L30 HydrophobicContact CG-CD2 4.49Å; L18-V63 HydrophobicContact CD1-CB 4.23Å; L18-V63 HydrophobicContact CD1-CG1 3.75Å; L18-V63 HydrophobicContact CD1-CG2 3.6Å; L18-L75 HydrophobicContact CD1-CB 4.33Å; L18-L75 HydrophobicContact CD2-CB 3.85Å; L18-A77 HydrophobicContact CB-CB 3.85Å
19T87.8Confident88.7Confident18 Ų1846.4 Ų46.411%0.1124%0.244CC..Hα-helixtrans-79.5-35.5175.5-59.50000111.8R15 S16 A21 A77 I86R15-T19 VanDerWaalsContact O-CB 3.3Å; R15-T19 WeakPolarHBondContact O-CB 3.46Å; R15-T19 PolarHBondContact O-N 3.31Å; R15-T19 PolarHBondContact O-OG1 3.36Å; S16-T19 PolarHBondContact O-N 2.82Å; T19-A21 VanDerWaalsContact C-N 3.31Å; T19-A77 WeakPolarHBondContact OG1-CB 3.19Å; T19-I86 HydrophobicContact CG2-CB 4.28Å; T19-I86 HydrophobicContact CG2-CG2 3.79Å
20S84.6Confident88.8Confident78 Ų7842.6 Ų42.655%0.54523%0.228SC..Hα-helixtrans-72-26.4174.765.30000112.6S16 L17 K22S16-S20 PolarHBondContact O-N 3.28Å; L17-S20 PolarHBondContact O-OG 3.32Å; S20-K22 PolarHBondContact O-N 2.92Å
21A86.8Confident88.6Confident20 Ų2046.8 Ų46.817%0.16524%0.243CC..  trans-7886.2-17900000113.3L17 T19 L23 G24 L25L17-A21 PolarHBondContact O-N 2.72Å; T19-A21 VanDerWaalsContact C-N 3.31Å; A21-L23 PolarHBondContact O-N 3.32Å; A21-G24 WeakPolarHBondContact O-CA 3.39Å; A21-G24 PolarHBondContact O-N 2.89Å; A21-L25 HydrophobicContact CB-CD1 4.18Å; A21-L25 HydrophobicContact CB-CD2 3.54Å; A21-L25 HydrophobicContact CB-CG 3.57Å
22K81.9Confident88.3Confident59 Ų5950 Ų5026%0.25726%0.255SS..THydrogen-bonded Turntrans-45.7-37.8179.3-177177.5-176123.90116S20 V90 A91 Q93 I95S20-K22 PolarHBondContact O-N 2.92Å; K22-V90 HydrophobicContact CB-CG1 3.73Å; K22-V90 HydrophobicContact CG-CG1 4.29Å; K22-V90 PolarHBondContact NZ-O 2.99Å; K22-A91 VanDerWaalsContact NZ-C 3.28Å; K22-A91 PolarHBondContact NZ-O 3.26Å; K22-Q93 PolarHBondContact NZ-O 3.02Å; K22-I95 HydrophobicContact CD-CG1 4.21Å
23L82.9Confident88.3Confident118 Ų11844.4 Ų44.462%0.61823%0.232SC*.THydrogen-bonded Turntrans-98.51-180-61.7179.9000113.5A21 Y74A21-L23 PolarHBondContact O-N 3.32Å; L23-Y74 VanDerWaalsContact O-CD2 3.27Å; L23-Y74 WeakPolarHBondContact O-CD2 3.5Å; L23-Y74 WeakPolarHBondContact O-CE2 3.13Å
24G86.1Confident88.4Confident8 Ų843.6 Ų43.68%0.08223%0.227CC..  trans66.6164.6-167.700000113.8A21 L75A21-G24 WeakPolarHBondContact O-CA 3.39Å; A21-G24 PolarHBondContact O-N 2.89Å; G24-L75 CarbonylContact C-O 3.59Å; G24-L75 WeakPolarHBondContact CA-O 3.46Å
25L89.7Confident88.2Confident21 Ų2146.8 Ų46.811%0.1125%0.247CC..BIsolated β-bridgetrans-110.4144.8-173.5-56.3179.7000110.9L18 A21 Q29 L30 D33 L75L18-L25 HydrophobicContact CD2-CB 3.98Å; L18-L25 HydrophobicContact CD2-CD1 4.02Å; L18-L25 HydrophobicContact CD2-CG 4.02Å; A21-L25 HydrophobicContact CB-CD1 4.18Å; A21-L25 HydrophobicContact CB-CD2 3.54Å; A21-L25 HydrophobicContact CB-CG 3.57Å; L25-Q29 HydrophobicContact CB-CB 4.39Å; L25-Q29 HydrophobicContact CD2-CG 3.99Å; L25-L30 HydrophobicContact CB-CB 4.27Å; L25-L30 HydrophobicContact CD1-CB 4.26Å; L25-L30 HydrophobicContact CD1-CD1 4.08Å; L25-D33 WeakPolarHBondContact CD1-OD2 3.37Å; L25-L75 PolarHBondContact N-O 2.9Å; L25-L75 WeakPolarHBondContact O-CB 3.31Å; L25-L75 PolarHBondContact O-N 3.06Å
26D89.3Confident88.2Confident50 Ų5048.1 Ų48.127%0.26727%0.269SS..  trans-70.6159.5161.659.488.9000110.8D28 Q29 L30 R32D26-D28 VanDerWaalsContact C-N 3.27Å; D26-D28 PolarHBondContact O-N 2.77Å; D26-D28 PolarHBondContact OD1-N 2.86Å; D26-Q29 PolarHBondContact O-N 2.9Å; D26-Q29 VanDerWaalsContact O-N 3.14Å; D26-Q29 WeakPolarHBondContact OD1-CB 3.38Å; D26-Q29 PolarHBondContact OD1-N 2.86Å; D26-Q29 VanDerWaalsContact OD2-CB 3.27Å; D26-Q29 WeakPolarHBondContact OD2-CB 3.4Å; D26-L30 PolarHBondContact O-N 2.97Å; D26-R32 IonicContact OD1-NH2 2.71Å
27P88.4Confident88.1Confident21 Ų2150.9 Ų50.914%0.13628%0.275CS..Hα-helixtrans-60-32.1-175.9-25.435.3000114.5R31 V52 M53 L73 L75P27-R31 PolarHBondContact O-N 3.39Å; P27-V52 HydrophobicContact CB-CB 4.15Å; P27-V52 HydrophobicContact CB-CG1 3.96Å; P27-M53 HydrophobicContact CB-SD 4.12Å; P27-M53 HydrophobicContact CG-SD 3.52Å; P27-M53 VanDerWaalsContact CG-SD 3.52Å; P27-L73 HydrophobicContact CG-CD2 3.73Å; P27-L75 HydrophobicContact CB-CD1 4.36Å; P27-L75 HydrophobicContact CG-CD1 4.19Å; P27-L75 HydrophobicContact CG-CG 4.41Å
28D83Confident88Confident68 Ų6853.1 Ų53.136%0.36429%0.287SS..Hα-helixtrans-78.1-32.9177.4-68.9-69.2000111.9D26 R31 R32D26-D28 VanDerWaalsContact C-N 3.27Å; D26-D28 PolarHBondContact O-N 2.77Å; D26-D28 PolarHBondContact OD1-N 2.86Å; D28-R31 PolarHBondContact O-N 2.98Å; D28-R31 IonicContact OD1-CZ 3.68Å; D28-R31 IonicContact OD1-NH1 2.66Å; D28-R31 PolarHBondContact OD1-NH1 2.82Å; D28-R31 IonicContact OD1-NH2 3.71Å; D28-R31 PolarHBondContact OD1-NH2 3.49Å; D28-R32 WeakPolarHBondContact O-CG 3.46Å; D28-R32 PolarHBondContact O-N 3.33Å; D28-R32 PolarHBondContact O-NH1 3.48Å
29Q87.4Confident87.6Confident58 Ų5856.4 Ų56.427%0.27132%0.321SS..Hα-helixtrans-67.3-43.9171.4-170.163.244.900111.5L25 D26 R31 R32 D33L25-Q29 HydrophobicContact CB-CB 4.39Å; L25-Q29 HydrophobicContact CD2-CG 3.99Å; D26-Q29 PolarHBondContact O-N 2.9Å; D26-Q29 VanDerWaalsContact O-N 3.14Å; D26-Q29 WeakPolarHBondContact OD1-CB 3.38Å; D26-Q29 PolarHBondContact OD1-N 2.86Å; D26-Q29 VanDerWaalsContact OD2-CB 3.27Å; D26-Q29 WeakPolarHBondContact OD2-CB 3.4Å; Q29-R31 PolarHBondContact O-N 3.11Å; Q29-R32 VanDerWaalsContact CA-NH2 3.31Å; Q29-R32 WeakPolarHBondContact O-CB 3.44Å; Q29-R32 PolarHBondContact O-N 2.92Å; Q29-R32 VanDerWaalsContact OE1-CZ 3.26Å; Q29-D33 WeakPolarHBondContact CG-OD2 3.44Å; Q29-D33 VanDerWaalsContact NE2-CG 3.33Å; Q29-D33 PolarHBondContact NE2-OD1 3.48Å; Q29-D33 PolarHBondContact NE2-OD2 3.33Å; Q29-D33 PolarHBondContact O-N 3.09Å
30L92.1Very high87.5Confident0 Ų058.6 Ų58.60%033%0.33CS..Hα-helixtrans-55.7-40.1173.217761000111.6V14 L17 L18 L25 D26 Y34 M42 V52 M55 L75V14-L30 HydrophobicContact CG1-CD2 4.2Å; L17-L30 HydrophobicContact CB-CD1 4.03Å; L17-L30 HydrophobicContact CD1-CD1 4.1Å; L18-L30 HydrophobicContact CD1-CD2 4.32Å; L18-L30 HydrophobicContact CD2-CD1 4.09Å; L18-L30 HydrophobicContact CD2-CD2 4.37Å; L18-L30 HydrophobicContact CG-CD1 4.05Å; L18-L30 HydrophobicContact CG-CD2 4.49Å; L25-L30 HydrophobicContact CB-CB 4.27Å; L25-L30 HydrophobicContact CD1-CB 4.26Å; L25-L30 HydrophobicContact CD1-CD1 4.08Å; D26-L30 PolarHBondContact O-N 2.97Å; L30-Y34 VanDerWaalsContact O-CB 3.29Å; L30-Y34 WeakPolarHBondContact O-CB 3.46Å; L30-Y34 PolarHBondContact O-N 3.03Å; L30-M42 HydrophobicContact CG-CE 4.23Å; L30-V52 HydrophobicContact CD2-CG1 4.05Å; L30-M55 HydrophobicContact CD2-CE 4.41Å; L30-L75 HydrophobicContact CD2-CD1 3.62Å
31R88.7Confident87.5Confident88 Ų8859.6 Ų59.633%0.33233%0.334SS..Hα-helixtrans-66.2-40.3174.4-173.5-177.866-132.9-13.6112.6P27 D28 Q29 V35 V52P27-R31 PolarHBondContact O-N 3.39Å; D28-R31 PolarHBondContact O-N 2.98Å; D28-R31 IonicContact OD1-CZ 3.68Å; D28-R31 IonicContact OD1-NH1 2.66Å; D28-R31 PolarHBondContact OD1-NH1 2.82Å; D28-R31 IonicContact OD1-NH2 3.71Å; D28-R31 PolarHBondContact OD1-NH2 3.49Å; Q29-R31 PolarHBondContact O-N 3.11Å; R31-V35 WeakPolarHBondContact O-CG2 3.33Å; R31-V35 PolarHBondContact O-N 3.15Å; R31-V52 HydrophobicContact CB-CG2 4.35Å
32R87.1Confident87.6Confident113 Ų11359.4 Ų59.443%0.42633%0.331SS..Hα-helixtrans-63.4-49.7175.8-73.9-176.3-69.4-85.63.8111.3D26 D28 Q29 Y34 V35 A36D26-R32 IonicContact OD1-NH2 2.71Å; D28-R32 WeakPolarHBondContact O-CG 3.46Å; D28-R32 PolarHBondContact O-N 3.33Å; D28-R32 PolarHBondContact O-NH1 3.48Å; Q29-R32 VanDerWaalsContact CA-NH2 3.31Å; Q29-R32 WeakPolarHBondContact O-CB 3.44Å; Q29-R32 PolarHBondContact O-N 2.92Å; Q29-R32 VanDerWaalsContact OE1-CZ 3.26Å; R32-Y34 VanDerWaalsContact C-N 3.33Å; R32-Y34 PolarHBondContact O-N 3.14Å; R32-V35 PolarHBondContact O-N 3.18Å; R32-A36 WeakPolarHBondContact O-CB 3.4Å; R32-A36 PolarHBondContact O-N 3.2Å
33D90.2Very high87.9Confident41 Ų4157.6 Ų57.622%0.21933%0.325CS..Hα-helixtrans-68-33.9-176.4-63.2-20000111.6L17 L25 Q29 A36 M37L17-D33 HydrophobicContact CD2-CB 4.4Å; L25-D33 WeakPolarHBondContact CD1-OD2 3.37Å; Q29-D33 WeakPolarHBondContact CG-OD2 3.44Å; Q29-D33 VanDerWaalsContact NE2-CG 3.33Å; Q29-D33 PolarHBondContact NE2-OD1 3.48Å; Q29-D33 PolarHBondContact NE2-OD2 3.33Å; Q29-D33 PolarHBondContact O-N 3.09Å; D33-A36 PolarHBondContact O-N 2.98Å; D33-M37 VanDerWaalsContact O-CB 3.26Å; D33-M37 WeakPolarHBondContact O-CB 3.46Å; D33-M37 VanDerWaalsContact O-CG 3.32Å; D33-M37 WeakPolarHBondContact O-CG 3.32Å; D33-M37 PolarHBondContact O-N 3.35Å
34Y93.8Very high88Confident2 Ų253.1 Ų53.11%0.00830%0.301CS..Hα-helixtrans-58.5-48.6171.8-167.2-78.8000111.6L10 D13 V14 L17 L30 R32 L38 H40 M42L10-Y34 HydrophobicContact CD1-CD2 4.39Å; L10-Y34 HydrophobicContact CD1-CE2 3.54Å; D13-Y34 HydrophobicContact CB-CD2 4.39Å; D13-Y34 HydrophobicContact CB-CE2 3.52Å; D13-Y34 PolarHBondContact OD2-OH 3.4Å; V14-Y34 HydrophobicContact CG2-CD2 4.42Å; V14-Y34 HydrophobicContact CG2-CE2 4.46Å; L17-Y34 HydrophobicContact CD1-CD2 3.7Å; L17-Y34 HydrophobicContact CD1-CG 4.18Å; L30-Y34 VanDerWaalsContact O-CB 3.29Å; L30-Y34 WeakPolarHBondContact O-CB 3.46Å; L30-Y34 PolarHBondContact O-N 3.03Å; R32-Y34 VanDerWaalsContact C-N 3.33Å; R32-Y34 PolarHBondContact O-N 3.14Å; Y34-L38 HydrophobicContact CD1-CD1 3.97Å; Y34-L38 HydrophobicContact CD2-CD1 3.67Å; Y34-L38 HydrophobicContact CE1-CD1 3.74Å; Y34-L38 HydrophobicContact CE2-CD1 3.42Å; Y34-L38 VanDerWaalsContact CE2-CD1 3.42Å; Y34-L38 HydrophobicContact CG-CD1 3.92Å; Y34-L38 VanDerWaalsContact CZ-CD1 3.43Å; Y34-L38 VanDerWaalsContact O-CB 3.28Å; Y34-L38 WeakPolarHBondContact O-CB 3.26Å; Y34-L38 PolarHBondContact O-N 3.4Å; Y34-H40 AromaticContact CE1-CE1 3.63Å; Y34-H40 AromaticContact CE1-ND1 3.72Å; Y34-H40 AromaticContact CZ-CE1 3.96Å; Y34-H40 PolarHBondContact OH-CE1 3.07Å; Y34-M42 HydrophobicContact CD1-CB 3.81Å; Y34-M42 HydrophobicContact CD1-CG 4.39Å; Y34-M42 HydrophobicContact CD2-CE 3.55Å; Y34-M42 HydrophobicContact CD2-CG 4.39Å; Y34-M42 VanDerWaalsContact CE1-CA 3.49Å; Y34-M42 HydrophobicContact CE1-CB 4.03Å; Y34-M42 HydrophobicContact CE1-CG 4.41Å; Y34-M42 HydrophobicContact CE2-CE 4.28Å; Y34-M42 HydrophobicContact CE2-CG 4.4Å; Y34-M42 HydrophobicContact CG-CB 4.15Å; Y34-M42 HydrophobicContact CG-CE 3.76Å; Y34-M42 HydrophobicContact CG-CG 4.41Å
35V89.4Confident87.5Confident67 Ų6761.8 Ų61.841%0.40634%0.337SS..Hα-helixtrans-65.3-44.9177.31760000111.2R31 R32 M37 G39R31-V35 WeakPolarHBondContact O-CG2 3.33Å; R31-V35 PolarHBondContact O-N 3.15Å; R32-V35 PolarHBondContact O-N 3.18Å; V35-M37 PolarHBondContact O-N 3.26Å; V35-G39 WeakPolarHBondContact O-CA 3.39Å; V35-G39 PolarHBondContact O-N 2.92Å
36A90Very high86.9Confident81 Ų8165.6 Ų65.667%0.66936%0.361SS*.Hα-helixtrans-66.5-36.4-176.900000113.4R32 D33R32-A36 WeakPolarHBondContact O-CB 3.4Å; R32-A36 PolarHBondContact O-N 3.2Å; D33-A36 PolarHBondContact O-N 2.98Å
37M88.9Confident86.4Confident138 Ų13863.9 Ų63.968%0.6835%0.351SS*.Hα-helixtrans-90.4-24.3-176.9-67.3-58.3-51.700114.3L17 D33 V35L17-M37 HydrophobicContact CD2-CB 3.93Å; L17-M37 HydrophobicContact CD2-CG 3.81Å; D33-M37 VanDerWaalsContact O-CB 3.26Å; D33-M37 WeakPolarHBondContact O-CB 3.46Å; D33-M37 VanDerWaalsContact O-CG 3.32Å; D33-M37 WeakPolarHBondContact O-CG 3.32Å; D33-M37 PolarHBondContact O-N 3.35Å; V35-M37 PolarHBondContact O-N 3.26Å
38L88.7Confident85.7Confident63 Ų6365.1 Ų65.133%0.3337%0.368SS..Hα-helixtrans-116.4-4.1-174-54.9168.8000113.2D13 Y34 H40D13-L38 HydrophobicContact CB-CD1 3.8Å; Y34-L38 HydrophobicContact CD1-CD1 3.97Å; Y34-L38 HydrophobicContact CD2-CD1 3.67Å; Y34-L38 HydrophobicContact CE1-CD1 3.74Å; Y34-L38 HydrophobicContact CE2-CD1 3.42Å; Y34-L38 VanDerWaalsContact CE2-CD1 3.42Å; Y34-L38 HydrophobicContact CG-CD1 3.92Å; Y34-L38 VanDerWaalsContact CZ-CD1 3.43Å; Y34-L38 VanDerWaalsContact O-CB 3.28Å; Y34-L38 WeakPolarHBondContact O-CB 3.26Å; Y34-L38 PolarHBondContact O-N 3.4Å; L38-H40 PolarHBondContact O-CD2 3.29Å; L38-H40 PolarHBondContact O-N 3.07Å; L38-H40 VanDerWaalsContact O-N 3.16Å
39G83Confident85.5Confident72 Ų7263 Ų6374%0.74236%0.356SS*.SBendtrans71.61.1175.500000115.4V35V35-G39 WeakPolarHBondContact O-CA 3.39Å; V35-G39 PolarHBondContact O-N 2.92Å
40H85Confident84.4Confident64 Ų6464.5 Ų64.530%0.29636%0.359SS..SBendtrans-139.6153.4-175.867.573.3000112.4K9 Y34 L38K9-H40 PolarHBondContact NZ-NE2 3.02Å; Y34-H40 AromaticContact CE1-CE1 3.63Å; Y34-H40 AromaticContact CE1-ND1 3.72Å; Y34-H40 AromaticContact CZ-CE1 3.96Å; Y34-H40 PolarHBondContact OH-CE1 3.07Å; L38-H40 PolarHBondContact O-CD2 3.29Å; L38-H40 PolarHBondContact O-N 3.07Å; L38-H40 VanDerWaalsContact O-N 3.16Å
41P84.3Confident83.7Confident99 Ų9967.4 Ų67.464%0.64337%0.374SS*.  trans-59.1151.7173.624.7-34.3000112.3
42M90.1Very high83.5Confident17 Ų1763.6 Ų63.68%0.08436%0.361CS..  trans-65.6126.8171.9-170.4-178.7-82.200109.3L10 V14 L30 Y34 L44 V52 M55L10-M42 HydrophobicContact CD1-CG 3.73Å; L10-M42 HydrophobicContact CD1-SD 4.4Å; V14-M42 HydrophobicContact CG2-CE 4.06Å; L30-M42 HydrophobicContact CG-CE 4.23Å; Y34-M42 HydrophobicContact CD1-CB 3.81Å; Y34-M42 HydrophobicContact CD1-CG 4.39Å; Y34-M42 HydrophobicContact CD2-CE 3.55Å; Y34-M42 HydrophobicContact CD2-CG 4.39Å; Y34-M42 VanDerWaalsContact CE1-CA 3.49Å; Y34-M42 HydrophobicContact CE1-CB 4.03Å; Y34-M42 HydrophobicContact CE1-CG 4.41Å; Y34-M42 HydrophobicContact CE2-CE 4.28Å; Y34-M42 HydrophobicContact CE2-CG 4.4Å; Y34-M42 HydrophobicContact CG-CB 4.15Å; Y34-M42 HydrophobicContact CG-CE 3.76Å; Y34-M42 HydrophobicContact CG-CG 4.41Å; M42-L44 HydrophobicContact CB-CG 4.28Å; M42-L44 HydrophobicContact CG-CD2 4.07Å; M42-L44 HydrophobicContact CG-CG 3.9Å; M42-L44 PolarHBondContact O-N 3.16Å; M42-L44 HydrophobicContact SD-CD1 4.15Å; M42-L44 HydrophobicContact SD-CD2 3.75Å; M42-L44 HydrophobicContact SD-CG 3.94Å; M42-V52 HydrophobicContact SD-CG2 4.35Å; M42-M55 HydrophobicContact CE-CE 4.5Å; M42-M55 HydrophobicContact CE-SD 4.45Å; M42-M55 HydrophobicContact SD-CE 4.18Å; M42-M55 HydrophobicContact SD-SD 3.61Å; M42-M55 VanDerWaalsContact SD-SD 3.61Å
43P87.5Confident83.4Confident21 Ų2160.7 Ų60.714%0.13635%0.353CS..  trans-75.234.5-168.830.7-37.2000114.9L6 L10 K45 V46 L47L6-P43 HydrophobicContact CD1-CB 4.24Å; L6-P43 HydrophobicContact CD1-CG 4.11Å; L6-P43 HydrophobicContact CD2-CB 4.21Å; L6-P43 HydrophobicContact CG-CB 4.36Å; L6-P43 HydrophobicContact CG-CG 4.32Å; L10-P43 HydrophobicContact CD2-CG 4.36Å; P43-K45 PolarHBondContact O-N 2.78Å; P43-V46 HydrophobicContact CB-CB 4.48Å; P43-V46 PolarHBondContact O-N 3.4Å; P43-V46 VanDerWaalsContact O-N 3.09Å; P43-L47 HydrophobicContact CG-CD1 4.13Å; P43-L47 PolarHBondContact O-N 3.19Å; P43-L47 VanDerWaalsContact O-N 3.08Å
44L84.4Confident83Confident23 Ų2360.8 Ų60.812%0.1235%0.353CS..Hα-helixtrans-50-52.9-176.2-64.6175.5000112.4M42 V46 L47 G48 F49 V52 M55M42-L44 HydrophobicContact CB-CG 4.28Å; M42-L44 HydrophobicContact CG-CD2 4.07Å; M42-L44 HydrophobicContact CG-CG 3.9Å; M42-L44 PolarHBondContact O-N 3.16Å; M42-L44 HydrophobicContact SD-CD1 4.15Å; M42-L44 HydrophobicContact SD-CD2 3.75Å; M42-L44 HydrophobicContact SD-CG 3.94Å; L44-V46 VanDerWaalsContact C-N 3.32Å; L44-V46 PolarHBondContact O-N 3.49Å; L44-L47 CarbonylContact O-C 3.59Å; L44-L47 PolarHBondContact O-N 2.9Å; L44-L47 VanDerWaalsContact O-N 3.17Å; L44-G48 PolarHBondContact O-N 2.78Å; L44-F49 CarbonylContact C-O 3.34Å; L44-F49 HydrophobicContact CB-CB 4.11Å; L44-F49 HydrophobicContact CD2-CB 3.81Å; L44-F49 HydrophobicContact CD2-CD2 4.06Å; L44-F49 HydrophobicContact CD2-CG 4.35Å; L44-F49 PolarHBondContact O-N 2.94Å; L44-V52 HydrophobicContact CD1-CG2 4.21Å; L44-M55 HydrophobicContact CD2-CB 3.74Å; L44-M55 HydrophobicContact CD2-CG 4.06Å; L44-M55 HydrophobicContact CD2-SD 3.75Å
45K76.9Confident82.8Confident191 Ų19160.7 Ų60.783%0.8335%0.353SS*.Hα-helixtrans-57.4-41.8179.3-68.9-173.7177.2-176.10112.8P43 L47 G48P43-K45 PolarHBondContact O-N 2.78Å; K45-L47 VanDerWaalsContact C-N 3.3Å; K45-L47 PolarHBondContact O-N 3.4Å; K45-G48 PolarHBondContact O-N 2.94Å
46V77Confident82.7Confident101 Ų10157.6 Ų57.661%0.61233%0.334SS*.Hα-helixtrans-71.7-27.8-177.3-172.30000111.5L6 P43 L44L6-V46 HydrophobicContact CD2-CB 4.04Å; L6-V46 HydrophobicContact CD2-CG1 3.56Å; P43-V46 HydrophobicContact CB-CB 4.48Å; P43-V46 PolarHBondContact O-N 3.4Å; P43-V46 VanDerWaalsContact O-N 3.09Å; L44-V46 VanDerWaalsContact C-N 3.32Å; L44-V46 PolarHBondContact O-N 3.49Å
47L77.8Confident82.1Confident13 Ų1359.8 Ų59.87%0.06833%0.331CS..Hα-helixtrans-91.8-1.9176.2-65.2174.3000113.6Q3 L6 L7 L10 P43 L44 K45 F49Q3-L47 HydrophobicContact CG-CD2 3.85Å; Q3-L47 WeakPolarHBondContact O-CD2 3.43Å; L6-L47 HydrophobicContact CB-CD2 4.02Å; L6-L47 HydrophobicContact CD2-CD2 3.87Å; L6-L47 HydrophobicContact CD2-CG 4.12Å; L6-L47 HydrophobicContact CG-CD1 4.4Å; L6-L47 HydrophobicContact CG-CD2 3.89Å; L6-L47 HydrophobicContact CG-CG 4.23Å; L7-L47 HydrophobicContact CB-CD2 4.03Å; L7-L47 HydrophobicContact CD1-CD1 4.18Å; L10-L47 HydrophobicContact CB-CD1 4.18Å; L10-L47 HydrophobicContact CD2-CD1 3.38Å; L10-L47 HydrophobicContact CG-CD1 4.42Å; P43-L47 HydrophobicContact CG-CD1 4.13Å; P43-L47 PolarHBondContact O-N 3.19Å; P43-L47 VanDerWaalsContact O-N 3.08Å; L44-L47 CarbonylContact O-C 3.59Å; L44-L47 PolarHBondContact O-N 2.9Å; L44-L47 VanDerWaalsContact O-N 3.17Å; K45-L47 VanDerWaalsContact C-N 3.3Å; K45-L47 PolarHBondContact O-N 3.4Å; L47-F49 HydrophobicContact CB-CD2 3.68Å; L47-F49 HydrophobicContact CB-CE2 3.69Å; L47-F49 HydrophobicContact CD1-CD2 4.38Å; L47-F49 HydrophobicContact CD1-CE2 4.03Å
48G74.2Confident81.8Confident48 Ų4856.6 Ų56.650%0.49531%0.314SS..THydrogen-bonded Turntrans87.5-0.8-179.200000115.6L44 K45L44-G48 PolarHBondContact O-N 2.78Å; K45-G48 PolarHBondContact O-N 2.94Å
49F79.4Confident81.6Confident22 Ų2253.6 Ų53.610%0.09630%0.298CS..  trans-78.2133.4-179.4-56.2-54.6000112.3L7 L10 L44 L47 D54 M55 E58L7-F49 HydrophobicContact CD1-CE2 3.87Å; L7-F49 HydrophobicContact CD1-CZ 3.92Å; L10-F49 HydrophobicContact CD2-CE2 4.4Å; L44-F49 CarbonylContact C-O 3.34Å; L44-F49 HydrophobicContact CB-CB 4.11Å; L44-F49 HydrophobicContact CD2-CB 3.81Å; L44-F49 HydrophobicContact CD2-CD2 4.06Å; L44-F49 HydrophobicContact CD2-CG 4.35Å; L44-F49 PolarHBondContact O-N 2.94Å; L47-F49 HydrophobicContact CB-CD2 3.68Å; L47-F49 HydrophobicContact CB-CE2 3.69Å; L47-F49 HydrophobicContact CD1-CD2 4.38Å; L47-F49 HydrophobicContact CD1-CE2 4.03Å; F49-D54 WeakPolarHBondContact CA-OD2 3.28Å; F49-M55 HydrophobicContact CB-CB 4.24Å; F49-M55 HydrophobicContact CD1-CB 4.27Å; F49-M55 HydrophobicContact CD2-CB 3.88Å; F49-M55 HydrophobicContact CD2-CG 3.94Å; F49-M55 HydrophobicContact CE2-CB 4.28Å; F49-M55 HydrophobicContact CE2-CG 3.96Å; F49-M55 HydrophobicContact CG-CB 3.88Å; F49-M55 HydrophobicContact CG-CG 4.44Å; F49-M55 HydrophobicContact CZ-CG 4.48Å; F49-E58 HydrophobicContact CE1-CB 3.78Å; F49-E58 HydrophobicContact CE1-CG 4.04Å; F49-E58 HydrophobicContact CZ-CB 4.31Å
50R64.6Low81.6Confident91 Ų9154.5 Ų54.534%0.34329%0.291SS..SBendtrans-84.6-24.9-177.8-56.6-179.4-172.2-134.5-0.1113.5D54 R112 L118 P119R50-D54 PolarHBondContact N-OD2 3.38Å; R50-R112 PolarHBondContact O-NH2 2.8Å; R50-L118 PolarHBondContact NH2-O 3.48Å; R50-P119 VanDerWaalsContact NH2-C 3.34Å; R50-P119 PolarHBondContact NH2-O 2.87Å
51N76.8Confident81.5Confident60 Ų6055.6 Ų55.632%0.32130%0.296SS..SBendtrans-163-177.7173.261.335.2000111.2M53 D54 M55N51-M53 VanDerWaalsContact C-N 3.32Å; N51-M53 PolarHBondContact O-N 3.22Å; N51-M53 PolarHBondContact OD1-N 3.47Å; N51-D54 WeakPolarHBondContact OD1-CB 3.47Å; N51-D54 PolarHBondContact OD1-N 2.99Å; N51-M55 PolarHBondContact O-N 3.24Å
52V85.6Confident81.6Confident8 Ų850.9 Ų50.95%0.04827%0.266CS..Hα-helixtrans-65.7-30.8179.2-179.10000112.5P27 L30 R31 M42 L44 M55 V56 L75P27-V52 HydrophobicContact CB-CB 4.15Å; P27-V52 HydrophobicContact CB-CG1 3.96Å; L30-V52 HydrophobicContact CD2-CG1 4.05Å; R31-V52 HydrophobicContact CB-CG2 4.35Å; M42-V52 HydrophobicContact SD-CG2 4.35Å; L44-V52 HydrophobicContact CD1-CG2 4.21Å; V52-M55 HydrophobicContact CG1-CE 4.04Å; V52-V56 HydrophobicContact CG1-CG2 4.4Å; V52-V56 WeakPolarHBondContact O-CB 3.5Å; V52-V56 VanDerWaalsContact O-CG2 3.23Å; V52-V56 WeakPolarHBondContact O-CG2 3.34Å; V52-V56 PolarHBondContact O-N 3.08Å; V52-L75 HydrophobicContact CG1-CD1 4.25Å
53M84.4Confident81.6Confident52 Ų5250.3 Ų50.326%0.25626%0.263SS..Hα-helixtrans-74-39.5-179.9-64.3-53.7-57.500112.4P27 N51 V56 Q57 V65 L73P27-M53 HydrophobicContact CB-SD 4.12Å; P27-M53 HydrophobicContact CG-SD 3.52Å; P27-M53 VanDerWaalsContact CG-SD 3.52Å; N51-M53 VanDerWaalsContact C-N 3.32Å; N51-M53 PolarHBondContact O-N 3.22Å; N51-M53 PolarHBondContact OD1-N 3.47Å; M53-V56 PolarHBondContact O-N 2.76Å; M53-Q57 WeakPolarHBondContact O-CG 3.44Å; M53-Q57 PolarHBondContact O-N 2.88Å; M53-V65 HydrophobicContact CE-CG2 4.22Å; M53-L73 HydrophobicContact CE-CD1 3.86Å; M53-L73 HydrophobicContact CE-CD2 4.24Å; M53-L73 HydrophobicContact SD-CD2 4.15Å
54D80.4Confident81.7Confident43 Ų4351.1 Ų51.123%0.2327%0.269CS..Hα-helixtrans-59.2-47.6172.2-17136.6000110.5F49 R50 N51 V56 Q57 E58F49-D54 WeakPolarHBondContact CA-OD2 3.28Å; R50-D54 PolarHBondContact N-OD2 3.38Å; N51-D54 WeakPolarHBondContact OD1-CB 3.47Å; N51-D54 PolarHBondContact OD1-N 2.99Å; D54-V56 PolarHBondContact O-N 3.27Å; D54-Q57 PolarHBondContact O-N 3.42Å; D54-E58 PolarHBondContact O-N 3.14Å
55M89.9Confident81.9Confident0 Ų052.9 Ų52.90%028%0.281CS..Hα-helixtrans-56.3-48.2170.4178.5-161.37800112.5L10 V14 L30 M42 L44 F49 N51 V52 Q57 E58 M59L10-M55 HydrophobicContact CD1-SD 4.29Å; L10-M55 HydrophobicContact CD2-CG 4.29Å; L10-M55 HydrophobicContact CD2-SD 3.77Å; L10-M55 HydrophobicContact CG-SD 4.2Å; V14-M55 HydrophobicContact CG1-CE 4.42Å; V14-M55 HydrophobicContact CG2-CE 4.13Å; V14-M55 HydrophobicContact CG2-SD 4.38Å; L30-M55 HydrophobicContact CD2-CE 4.41Å; M42-M55 HydrophobicContact CE-CE 4.5Å; M42-M55 HydrophobicContact CE-SD 4.45Å; M42-M55 HydrophobicContact SD-CE 4.18Å; M42-M55 HydrophobicContact SD-SD 3.61Å; M42-M55 VanDerWaalsContact SD-SD 3.61Å; L44-M55 HydrophobicContact CD2-CB 3.74Å; L44-M55 HydrophobicContact CD2-CG 4.06Å; L44-M55 HydrophobicContact CD2-SD 3.75Å; F49-M55 HydrophobicContact CB-CB 4.24Å; F49-M55 HydrophobicContact CD1-CB 4.27Å; F49-M55 HydrophobicContact CD2-CB 3.88Å; F49-M55 HydrophobicContact CD2-CG 3.94Å; F49-M55 HydrophobicContact CE2-CB 4.28Å; F49-M55 HydrophobicContact CE2-CG 3.96Å; F49-M55 HydrophobicContact CG-CB 3.88Å; F49-M55 HydrophobicContact CG-CG 4.44Å; F49-M55 HydrophobicContact CZ-CG 4.48Å; N51-M55 PolarHBondContact O-N 3.24Å; V52-M55 HydrophobicContact CG1-CE 4.04Å; M55-Q57 PolarHBondContact O-N 3.16Å; M55-E58 PolarHBondContact O-N 2.95Å; M55-M59 HydrophobicContact CE-SD 4.33Å; M55-M59 HydrophobicContact CG-CE 3.4Å; M55-M59 HydrophobicContact CG-SD 4.07Å; M55-M59 WeakPolarHBondContact O-CG 3.42Å; M55-M59 PolarHBondContact O-N 3.32Å; M55-M59 HydrophobicContact SD-CE 4.17Å; M55-M59 HydrophobicContact SD-SD 4.42Å
56V86.9Confident82.2Confident3 Ų346 Ų462%0.01825%0.253CS..Hα-helixtrans-65.2-37.1-177.4162.50000112.5V52 M53 D54 E58 M59 V63 V65 L75V52-V56 HydrophobicContact CG1-CG2 4.4Å; V52-V56 WeakPolarHBondContact O-CB 3.5Å; V52-V56 VanDerWaalsContact O-CG2 3.23Å; V52-V56 WeakPolarHBondContact O-CG2 3.34Å; V52-V56 PolarHBondContact O-N 3.08Å; M53-V56 PolarHBondContact O-N 2.76Å; D54-V56 PolarHBondContact O-N 3.27Å; V56-E58 PolarHBondContact O-N 3.14Å; V56-M59 CarbonylContact O-C 3.31Å; V56-M59 PolarHBondContact O-N 3.4Å; V56-V63 HydrophobicContact CG1-CB 4.07Å; V56-V63 HydrophobicContact CG1-CG1 3.87Å; V56-V63 HydrophobicContact CG2-CB 4.08Å; V56-V63 HydrophobicContact CG2-CG1 3.82Å; V56-V63 HydrophobicContact CG2-CG2 4.24Å; V56-V65 HydrophobicContact CG1-CG2 3.49Å; V56-V65 VanDerWaalsContact CG1-CG2 3.49Å; V56-L75 HydrophobicContact CG1-CD2 4.24Å; V56-L75 HydrophobicContact CG2-CD1 4.1Å; V56-L75 HydrophobicContact CG2-CD2 4.32Å
57Q77.8Confident82.3Confident127 Ų12747.9 Ų47.959%0.59325%0.253SS*.Hα-helixtrans-64.5-28.2175.7-74.3177.8-0.600112.7M53 D54 M55M53-Q57 WeakPolarHBondContact O-CG 3.44Å; M53-Q57 PolarHBondContact O-N 2.88Å; D54-Q57 PolarHBondContact O-N 3.42Å; M55-Q57 PolarHBondContact O-N 3.16Å
58E82.2Confident82.4Confident71 Ų7151 Ų5133%0.33226%0.264SS..THydrogen-bonded Turntrans-93.76.8178.3-65-89129.700113.2F49 D54 M55 V56 R121F49-E58 HydrophobicContact CE1-CB 3.78Å; F49-E58 HydrophobicContact CE1-CG 4.04Å; F49-E58 HydrophobicContact CZ-CB 4.31Å; D54-E58 PolarHBondContact O-N 3.14Å; M55-E58 PolarHBondContact O-N 2.95Å; V56-E58 PolarHBondContact O-N 3.14Å; E58-R121 VanDerWaalsContact OE2-CD 3.24Å; E58-R121 WeakPolarHBondContact OE2-CD 3.43Å; E58-R121 IonicContact OE2-CZ 3.16Å; E58-R121 IonicContact OE2-NE 3.75Å; E58-R121 IonicContact OE2-NH1 3.31Å; E58-R121 PolarHBondContact OE2-NH1 3.41Å
59M85.9Confident82.2Confident0 Ų054.4 Ų54.40%029%0.288CS..  trans-140.955.4170.667.6-174.961.200114.5L7 K11 M55 V56 E61 V62 V63L7-M59 HydrophobicContact CD1-CE 4.14Å; K11-M59 HydrophobicContact CD-CB 4.41Å; K11-M59 HydrophobicContact CG-CB 4.46Å; K11-M59 HydrophobicContact CG-CE 3.83Å; K11-M59 HydrophobicContact CG-SD 4.02Å; M55-M59 HydrophobicContact CE-SD 4.33Å; M55-M59 HydrophobicContact CG-CE 3.4Å; M55-M59 HydrophobicContact CG-SD 4.07Å; M55-M59 WeakPolarHBondContact O-CG 3.42Å; M55-M59 PolarHBondContact O-N 3.32Å; M55-M59 HydrophobicContact SD-CE 4.17Å; M55-M59 HydrophobicContact SD-SD 4.42Å; V56-M59 CarbonylContact O-C 3.31Å; V56-M59 PolarHBondContact O-N 3.4Å; M59-E61 VanDerWaalsContact CA-OE2 3.28Å; M59-E61 WeakPolarHBondContact CA-OE2 3.47Å; M59-E61 PolarHBondContact O-N 3.04Å; M59-E61 VanDerWaalsContact O-N 3.14Å; M59-V62 HydrophobicContact CB-CB 4.07Å; M59-V62 HydrophobicContact CB-CG2 3.97Å; M59-V62 HydrophobicContact CG-CB 4Å; M59-V62 HydrophobicContact CG-CG2 4.36Å; M59-V62 WeakPolarHBondContact O-CB 3.32Å; M59-V62 PolarHBondContact O-N 2.98Å; M59-V62 HydrophobicContact SD-CB 4.17Å; M59-V62 HydrophobicContact SD-CG1 4.25Å; M59-V62 HydrophobicContact SD-CG2 4.44Å; M59-V63 HydrophobicContact CG-CG2 4.29Å; M59-V63 PolarHBondContact O-N 3.14Å; M59-V63 HydrophobicContact SD-CG2 4.43Å
60P83Confident81.4Confident90 Ų9057.6 Ų57.658%0.58431%0.306SS*.THydrogen-bonded Turntrans-63.8-17.1-179.429.8-36.8000113.8V62P60-V62 VanDerWaalsContact C-N 3.28Å
61E81.9Confident81.2Confident87 Ų8755.9 Ų55.941%0.40732%0.317SS..THydrogen-bonded Turntrans-80.4-6.6172.383.3-65.4171.400113.6K11 R15 M59K11-E61 WeakPolarHBondContact CD-OE1 3.14Å; K11-E61 WeakPolarHBondContact CE-OE1 3.49Å; K11-E61 IonicContact NZ-OE1 2.86Å; K11-E61 PolarHBondContact NZ-OE1 3.23Å; K11-E61 IonicContact NZ-OE2 3.84Å; R15-E61 PolarHBondContact NH2-O 2.85Å; M59-E61 VanDerWaalsContact CA-OE2 3.28Å; M59-E61 WeakPolarHBondContact CA-OE2 3.47Å; M59-E61 PolarHBondContact O-N 3.04Å; M59-E61 VanDerWaalsContact O-N 3.14Å
62V86.1Confident80.7Confident1 Ų154.9 Ų54.91%0.00631%0.314CS..THydrogen-bonded Turntrans-112-41.5179-175.20000111.3K11 V14 R15 M59 P60 A77 V78K11-V62 HydrophobicContact CB-CG2 3.91Å; K11-V62 HydrophobicContact CD-CG2 3.97Å; K11-V62 HydrophobicContact CG-CG2 3.88Å; K11-V62 WeakPolarHBondContact O-CG1 3.48Å; V14-V62 HydrophobicContact CG1-CG1 4.29Å; R15-V62 HydrophobicContact CB-CG1 4.03Å; M59-V62 HydrophobicContact CB-CB 4.07Å; M59-V62 HydrophobicContact CB-CG2 3.97Å; M59-V62 HydrophobicContact CG-CB 4Å; M59-V62 HydrophobicContact CG-CG2 4.36Å; M59-V62 WeakPolarHBondContact O-CB 3.32Å; M59-V62 PolarHBondContact O-N 2.98Å; M59-V62 HydrophobicContact SD-CB 4.17Å; M59-V62 HydrophobicContact SD-CG1 4.25Å; M59-V62 HydrophobicContact SD-CG2 4.44Å; P60-V62 VanDerWaalsContact C-N 3.28Å; V62-A77 WeakPolarHBondContact O-CA 3.44Å; V62-V78 PolarHBondContact O-N 3.31Å
63V91.9Very high80.7Confident5 Ų556.7 Ų56.73%0.0332%0.324CS..EExtended strand (participates in β ladder)trans-130.5125.8-170.5-172.40000111.9V14 L18 V56 M59 L75 K76V14-V63 HydrophobicContact CG1-CG2 3.57Å; L18-V63 HydrophobicContact CD1-CB 4.23Å; L18-V63 HydrophobicContact CD1-CG1 3.75Å; L18-V63 HydrophobicContact CD1-CG2 3.6Å; V56-V63 HydrophobicContact CG1-CB 4.07Å; V56-V63 HydrophobicContact CG1-CG1 3.87Å; V56-V63 HydrophobicContact CG2-CB 4.08Å; V56-V63 HydrophobicContact CG2-CG1 3.82Å; V56-V63 HydrophobicContact CG2-CG2 4.24Å; M59-V63 HydrophobicContact CG-CG2 4.29Å; M59-V63 PolarHBondContact O-N 3.14Å; M59-V63 HydrophobicContact SD-CG2 4.43Å; V63-L75 HydrophobicContact CG1-CB 3.88Å; V63-L75 HydrophobicContact CG1-CD1 4.43Å; V63-L75 HydrophobicContact CG1-CD2 3.97Å; V63-L75 HydrophobicContact CG1-CG 4.3Å; V63-K76 WeakPolarHBondContact CA-O 3.43Å
64S88.1Confident80.9Confident37 Ų3755.7 Ų55.726%0.25932%0.317SS..EExtended strand (participates in β ladder)trans-96.7129.5169.460.50000110.9N66 L75 K76S64-N66 PolarHBondContact O-ND2 2.98Å; S64-N66 PolarHBondContact OG-ND2 3Å; S64-L75 WeakPolarHBondContact O-CA 3.43Å; S64-K76 PolarHBondContact N-O 3.34Å; S64-K76 PolarHBondContact O-N 2.82Å; S64-K76 WeakPolarHBondContact OG-CB 3.47Å; S64-K76 PolarHBondContact OG-O 3.04Å
65V88.5Confident81.5Confident60 Ų6053.6 Ų53.636%0.36431%0.306SS..EExtended strand (participates in β ladder)trans-85.8124.3171.9179.90000108.8M53 V56 F67 L73 L75M53-V65 HydrophobicContact CE-CG2 4.22Å; V56-V65 HydrophobicContact CG1-CG2 3.49Å; V56-V65 VanDerWaalsContact CG1-CG2 3.49Å; V65-F67 HydrophobicContact CG1-CE2 4.35Å; V65-F67 HydrophobicContact CG1-CZ 4.39Å; V65-L73 HydrophobicContact CG1-CD1 3.59Å; V65-L73 HydrophobicContact CG1-CD2 4.28Å; V65-L73 HydrophobicContact CG1-CG 3.83Å; V65-L75 HydrophobicContact CG2-CD2 4.03Å
66N84.2Confident81.5Confident48 Ų4857.1 Ų57.126%0.25732%0.321SS..EExtended strand (participates in β ladder)trans-129.8160.6-176.9-65.2-100.9000110.3S64 L73 Y74S64-N66 PolarHBondContact O-ND2 2.98Å; S64-N66 PolarHBondContact OG-ND2 3Å; N66-L73 CarbonylContact O-C 3.4Å; N66-L73 WeakPolarHBondContact O-CA 3.39Å; N66-Y74 WeakPolarHBondContact CA-O 3.45Å; N66-Y74 HydrophobicContact CB-CD1 3.78Å; N66-Y74 HydrophobicContact CB-CD2 4.34Å; N66-Y74 HydrophobicContact CB-CE1 3.33Å; N66-Y74 HydrophobicContact CB-CE2 3.96Å; N66-Y74 HydrophobicContact CB-CG 4.27Å; N66-Y74 VanDerWaalsContact CB-CZ 3.43Å; N66-Y74 PolarHBondContact N-O 3.3Å; N66-Y74 WeakPolarHBondContact O-CD1 3.4Å; N66-Y74 PolarHBondContact O-N 3.05Å; N66-Y74 VanDerWaalsContact O-O 3.1Å
67F78.9Confident81.6Confident139 Ų13957.3 Ų57.361%0.6132%0.323SS*.EExtended strand (participates in β ladder)trans-122.9143.2176.9-62.7-88.4000110.8V65 L73V65-F67 HydrophobicContact CG1-CE2 4.35Å; V65-F67 HydrophobicContact CG1-CZ 4.39Å; F67-L73 HydrophobicContact CD1-CB 4.2Å; F67-L73 HydrophobicContact CE1-CB 4.01Å; F67-L73 HydrophobicContact CE1-CD1 3.95Å; F67-L73 HydrophobicContact CE1-CG 4.22Å; F67-L73 HydrophobicContact CZ-CD1 4.06Å
68R80.4Confident82.1Confident78 Ų7853.7 Ų53.729%0.29431%0.309SS..  trans-89165.7171.9-57.1-168.6-172.2105.1-4.1110.1D70 G71 S72 Y74R68-D70 VanDerWaalsContact CB-OD1 3.31Å; R68-D70 WeakPolarHBondContact CB-OD1 3.25Å; R68-D70 PolarHBondContact O-N 3.18Å; R68-D70 VanDerWaalsContact O-N 3.14Å; R68-G71 WeakPolarHBondContact O-CA 3.29Å; R68-G71 PolarHBondContact O-N 3.4Å; R68-S72 WeakPolarHBondContact CD-OG 3.46Å; R68-S72 PolarHBondContact N-O 3.45Å; R68-S72 PolarHBondContact NH1-OG 3.03Å; R68-Y74 HydrophobicContact CG-CD1 3.49Å; R68-Y74 VanDerWaalsContact CG-CD1 3.49Å; R68-Y74 HydrophobicContact CG-CE1 3.78Å; R68-Y74 HydrophobicContact CG-CG 4.3Å
69A69.1Low81.7Confident121 Ų12152.4 Ų52.4100%131%0.308SS*.THydrogen-bonded Turntrans-63-17.317800000114.2G71A69-G71 VanDerWaalsContact C-N 3.28Å
70D63.6Low81.1Confident88 Ų8855.3 Ų55.347%0.47132%0.324SS..THydrogen-bonded Turntrans-87.17.817254.433.2000113.1R68 S72 K103R68-D70 VanDerWaalsContact CB-OD1 3.31Å; R68-D70 WeakPolarHBondContact CB-OD1 3.25Å; R68-D70 PolarHBondContact O-N 3.18Å; R68-D70 VanDerWaalsContact O-N 3.14Å; D70-S72 PolarHBondContact O-N 2.96Å; D70-S72 WeakPolarHBondContact OD1-CB 3.36Å; D70-S72 PolarHBondContact OD1-N 3.06Å; D70-S72 PolarHBondContact OD1-OG 2.75Å; D70-K103 IonicContact OD2-NZ 2.71Å; D70-K103 PolarHBondContact OD2-NZ 2.67Å
71G60.2Low80.6Confident55 Ų5559.8 Ų59.857%0.56734%0.337SS*.SBendtrans76.3-3.5-176.700000114.7R68 A69 L73R68-G71 WeakPolarHBondContact O-CA 3.29Å; R68-G71 PolarHBondContact O-N 3.4Å; A69-G71 VanDerWaalsContact C-N 3.28Å; G71-L73 PolarHBondContact O-N 3.13Å
72S65.7Low80Confident39 Ų3962.4 Ų62.427%0.27335%0.354SS..  trans-70131.7178.666.30000111.9R68 D70R68-S72 WeakPolarHBondContact CD-OG 3.46Å; R68-S72 PolarHBondContact N-O 3.45Å; R68-S72 PolarHBondContact NH1-OG 3.03Å; D70-S72 PolarHBondContact O-N 2.96Å; D70-S72 WeakPolarHBondContact OD1-CB 3.36Å; D70-S72 PolarHBondContact OD1-N 3.06Å; D70-S72 PolarHBondContact OD1-OG 2.75Å
73L86.1Confident79.4Confident47 Ų4763.6 Ų63.625%0.24636%0.361CS..EExtended strand (participates in β ladder)trans-74.9140.6175.4-176.1152.2000110.2P27 M53 V65 N66 F67 G71 L75P27-L73 HydrophobicContact CG-CD2 3.73Å; M53-L73 HydrophobicContact CE-CD1 3.86Å; M53-L73 HydrophobicContact CE-CD2 4.24Å; M53-L73 HydrophobicContact SD-CD2 4.15Å; V65-L73 HydrophobicContact CG1-CD1 3.59Å; V65-L73 HydrophobicContact CG1-CD2 4.28Å; V65-L73 HydrophobicContact CG1-CG 3.83Å; N66-L73 CarbonylContact O-C 3.4Å; N66-L73 WeakPolarHBondContact O-CA 3.39Å; F67-L73 HydrophobicContact CD1-CB 4.2Å; F67-L73 HydrophobicContact CE1-CB 4.01Å; F67-L73 HydrophobicContact CE1-CD1 3.95Å; F67-L73 HydrophobicContact CE1-CG 4.22Å; F67-L73 HydrophobicContact CZ-CD1 4.06Å; G71-L73 PolarHBondContact O-N 3.13Å; L73-L75 HydrophobicContact CD2-CD2 4.01Å
74Y88.3Confident78.5Confident30 Ų3068.2 Ų68.212%0.11838%0.383CS..EExtended strand (participates in β ladder)trans-146.7152173.177.8-78.4000111.6L23 N66 R68 K76L23-Y74 VanDerWaalsContact O-CD2 3.27Å; L23-Y74 WeakPolarHBondContact O-CD2 3.5Å; L23-Y74 WeakPolarHBondContact O-CE2 3.13Å; N66-Y74 WeakPolarHBondContact CA-O 3.45Å; N66-Y74 HydrophobicContact CB-CD1 3.78Å; N66-Y74 HydrophobicContact CB-CD2 4.34Å; N66-Y74 HydrophobicContact CB-CE1 3.33Å; N66-Y74 HydrophobicContact CB-CE2 3.96Å; N66-Y74 HydrophobicContact CB-CG 4.27Å; N66-Y74 VanDerWaalsContact CB-CZ 3.43Å; N66-Y74 PolarHBondContact N-O 3.3Å; N66-Y74 WeakPolarHBondContact O-CD1 3.4Å; N66-Y74 PolarHBondContact O-N 3.05Å; N66-Y74 VanDerWaalsContact O-O 3.1Å; R68-Y74 HydrophobicContact CG-CD1 3.49Å; R68-Y74 VanDerWaalsContact CG-CD1 3.49Å; R68-Y74 HydrophobicContact CG-CE1 3.78Å; R68-Y74 HydrophobicContact CG-CG 4.3Å; Y74-K76 HydrophobicContact CD2-CG 4.42Å; Y74-K76 HydrophobicContact CE2-CD 3.76Å; Y74-K76 HydrophobicContact CE2-CG 3.95Å; Y74-K76 PolarHBondContact OH-NZ 2.94Å
75L91.9Very high77.9Confident0 Ų070.2 Ų70.20%040%0.397CS..EExtended strand (participates in β ladder)trans-104.4140.9-175.1-55178.5000109.7L18 G24 L25 P27 L30 V52 V56 V63 S64 V65 L73L18-L75 HydrophobicContact CD1-CB 4.33Å; L18-L75 HydrophobicContact CD2-CB 3.85Å; G24-L75 CarbonylContact C-O 3.59Å; G24-L75 WeakPolarHBondContact CA-O 3.46Å; L25-L75 PolarHBondContact N-O 2.9Å; L25-L75 WeakPolarHBondContact O-CB 3.31Å; L25-L75 PolarHBondContact O-N 3.06Å; P27-L75 HydrophobicContact CB-CD1 4.36Å; P27-L75 HydrophobicContact CG-CD1 4.19Å; P27-L75 HydrophobicContact CG-CG 4.41Å; L30-L75 HydrophobicContact CD2-CD1 3.62Å; V52-L75 HydrophobicContact CG1-CD1 4.25Å; V56-L75 HydrophobicContact CG1-CD2 4.24Å; V56-L75 HydrophobicContact CG2-CD1 4.1Å; V56-L75 HydrophobicContact CG2-CD2 4.32Å; V63-L75 HydrophobicContact CG1-CB 3.88Å; V63-L75 HydrophobicContact CG1-CD1 4.43Å; V63-L75 HydrophobicContact CG1-CD2 3.97Å; V63-L75 HydrophobicContact CG1-CG 4.3Å; S64-L75 WeakPolarHBondContact O-CA 3.43Å; V65-L75 HydrophobicContact CG2-CD2 4.03Å; L73-L75 HydrophobicContact CD2-CD2 4.01Å
76K90.1Very high77.4Confident74 Ų7471.5 Ų71.532%0.32240%0.4SS..EExtended strand (participates in β ladder)trans-131.2148.6172.1-93.2171.9168.6156.80110.1V63 S64 Y74V63-K76 WeakPolarHBondContact CA-O 3.43Å; S64-K76 PolarHBondContact N-O 3.34Å; S64-K76 PolarHBondContact O-N 2.82Å; S64-K76 WeakPolarHBondContact OG-CB 3.47Å; S64-K76 PolarHBondContact OG-O 3.04Å; Y74-K76 HydrophobicContact CD2-CG 4.42Å; Y74-K76 HydrophobicContact CE2-CD 3.76Å; Y74-K76 HydrophobicContact CE2-CG 3.95Å; Y74-K76 PolarHBondContact OH-NZ 2.94Å
77A90.4Very high77.1Confident7 Ų773.3 Ų73.36%0.05841%0.407CS..EExtended strand (participates in β ladder)trans-60.4142.9169.100000109.8R15 L18 T19 V62R15-A77 HydrophobicContact CG-CB 4.31Å; L18-A77 HydrophobicContact CB-CB 3.85Å; T19-A77 WeakPolarHBondContact OG1-CB 3.19Å; V62-A77 WeakPolarHBondContact O-CA 3.44Å
78V87.4Confident76.9Confident50 Ų5071 Ų7130%0.30340%0.399SS..  trans-86.2115.9160.3178.10000106.9R15 V62R15-V78 PolarHBondContact NE-O 3.48Å; V62-V78 PolarHBondContact O-N 3.31Å
79S74.3Confident76.9Confident44 Ų4472.6 Ų72.631%0.30841%0.412SS..  trans-76.8128.117654.70000110.9T83S79-T83 WeakPolarHBondContact CA-OG1 3.2Å
80D72.5Confident77.4Confident62 Ų6267.5 Ų67.533%0.33237%0.369SS..  trans-88.4174.4160.355.829.4000110.6N82 T83 Q84D80-N82 PolarHBondContact O-N 2.93Å; D80-N82 VanDerWaalsContact O-N 3.1Å; D80-N82 PolarHBondContact OD1-N 3.01Å; D80-T83 PolarHBondContact N-OG1 2.94Å; D80-T83 PolarHBondContact O-N 2.59Å; D80-T83 PolarHBondContact O-OG1 2.97Å; D80-T83 WeakPolarHBondContact OD1-CB 3.43Å; D80-T83 WeakPolarHBondContact OD1-CG2 3.41Å; D80-T83 PolarHBondContact OD1-N 2.94Å; D80-T83 PolarHBondContact OD1-OG1 3.23Å; D80-Q84 PolarHBondContact O-N 2.63Å
81E73.7Confident77.9Confident184 Ų18466.4 Ų66.486%0.8637%0.372SS*.THydrogen-bonded Turntrans-55.6-28.7179.4-59.7-178.1155.200112.7
82N67.8Low78.7Confident141 Ų14170.4 Ų70.475%0.75437%0.373SS*.THydrogen-bonded Turntrans-79-27.6179.3-63.3-49.1000113.3D80D80-N82 PolarHBondContact O-N 2.93Å; D80-N82 VanDerWaalsContact O-N 3.1Å; D80-N82 PolarHBondContact OD1-N 3.01Å
83T73.6Confident79.2Confident26 Ų2673.8 Ų73.816%0.1639%0.385CS..THydrogen-bonded Turntrans-104.8-15-175.249.30000114.2S79 D80 S85 I86 Q87S79-T83 WeakPolarHBondContact CA-OG1 3.2Å; D80-T83 PolarHBondContact N-OG1 2.94Å; D80-T83 PolarHBondContact O-N 2.59Å; D80-T83 PolarHBondContact O-OG1 2.97Å; D80-T83 WeakPolarHBondContact OD1-CB 3.43Å; D80-T83 WeakPolarHBondContact OD1-CG2 3.41Å; D80-T83 PolarHBondContact OD1-N 2.94Å; D80-T83 PolarHBondContact OD1-OG1 3.23Å; T83-S85 VanDerWaalsContact C-N 3.31Å; T83-S85 PolarHBondContact O-N 2.99Å; T83-I86 WeakPolarHBondContact O-CB 3.4Å; T83-I86 PolarHBondContact O-N 3.14Å; T83-Q87 PolarHBondContact O-N 3.01Å; T83-Q87 VanDerWaalsContact O-N 3.1Å
84Q73.5Confident78.2Confident103 Ų10383.2 Ų83.248%0.48142%0.417SS..Hα-helixtrans-52.5-43178.9-175.8175.4-700113.5D80 I86 Q87 E88D80-Q84 PolarHBondContact O-N 2.63Å; Q84-I86 VanDerWaalsContact C-N 3.32Å; Q84-I86 PolarHBondContact O-N 3.28Å; Q84-Q87 PolarHBondContact O-N 3.4Å; Q84-E88 PolarHBondContact O-N 3.15Å
85S75.8Confident76.8Confident79 Ų7985.9 Ų85.955%0.55243%0.433SS*.Hα-helixtrans-61.8-37.3177.6-176.70000112.8T83 E88 L89T83-S85 VanDerWaalsContact C-N 3.31Å; T83-S85 PolarHBondContact O-N 2.99Å; S85-E88 PolarHBondContact O-N 3.34Å; S85-L89 WeakPolarHBondContact O-CG 3.38Å; S85-L89 PolarHBondContact O-N 2.63Å; S85-L89 VanDerWaalsContact O-N 3.09Å
86I78.4Confident74.7Confident87 Ų8788.4 Ų88.445%0.44645%0.451SS..Hα-helixtrans-68.6-44.2177.2-54.1176.3000109.9T19 T83 Q84 E88 L89 V90T19-I86 HydrophobicContact CG2-CB 4.28Å; T19-I86 HydrophobicContact CG2-CG2 3.79Å; T83-I86 WeakPolarHBondContact O-CB 3.4Å; T83-I86 PolarHBondContact O-N 3.14Å; Q84-I86 VanDerWaalsContact C-N 3.32Å; Q84-I86 PolarHBondContact O-N 3.28Å; I86-E88 VanDerWaalsContact C-N 3.29Å; I86-E88 PolarHBondContact O-N 3.11Å; I86-L89 PolarHBondContact O-N 3.25Å; I86-L89 VanDerWaalsContact O-N 3.14Å; I86-V90 WeakPolarHBondContact O-CG2 3.14Å; I86-V90 PolarHBondContact O-N 3.24Å
87Q76.9Confident72.5Confident86 Ų8693.9 Ų93.940%0.40247%0.474SS..Hα-helixtrans-59.8-39176.1-177.5171.7-55.700111.9T83 Q84 V90 A91T83-Q87 PolarHBondContact O-N 3.01Å; T83-Q87 VanDerWaalsContact O-N 3.1Å; Q84-Q87 PolarHBondContact O-N 3.4Å; Q87-V90 PolarHBondContact O-N 3.1Å; Q87-A91 VanDerWaalsContact O-CB 3.28Å; Q87-A91 WeakPolarHBondContact O-CB 3.49Å; Q87-A91 PolarHBondContact O-N 3.5Å
88E75.9Confident70.3Confident91 Ų9197.4 Ų97.443%0.42550%0.498SS..Hα-helixtrans-64.2-40.9173.1-84-162-139.200113.3Q84 S85 I86 A91 K92Q84-E88 PolarHBondContact O-N 3.15Å; S85-E88 PolarHBondContact O-N 3.34Å; I86-E88 VanDerWaalsContact C-N 3.29Å; I86-E88 PolarHBondContact O-N 3.11Å; E88-A91 PolarHBondContact O-N 3.1Å; E88-K92 WeakPolarHBondContact O-CB 3.17Å; E88-K92 VanDerWaalsContact O-CD 3.27Å; E88-K92 WeakPolarHBondContact O-CD 3.16Å; E88-K92 WeakPolarHBondContact O-CG 3.34Å; E88-K92 PolarHBondContact O-N 3.25Å; E88-K92 IonicContact OE2-NZ 3.68Å; E88-K92 PolarHBondContact OE2-NZ 2.89Å
89L79.1Confident68.3Low111 Ų111100.2 Ų100.258%0.58151%0.508SS*.Hα-helixtrans-65.1-42.9176.8-71168000111.4S85 I86 K92 Q93S85-L89 WeakPolarHBondContact O-CG 3.38Å; S85-L89 PolarHBondContact O-N 2.63Å; S85-L89 VanDerWaalsContact O-N 3.09Å; I86-L89 PolarHBondContact O-N 3.25Å; I86-L89 VanDerWaalsContact O-N 3.14Å; L89-K92 PolarHBondContact O-N 3.39Å; L89-K92 VanDerWaalsContact O-N 3.13Å; L89-Q93 PolarHBondContact O-N 2.66Å
90V79.9Confident66.5Low14 Ų14106.3 Ų106.39%0.08553%0.529CS..Hα-helixtrans-63.3-42.2173.8173.90000111.1K22 I86 Q87 K92 Q93K22-V90 HydrophobicContact CB-CG1 3.73Å; K22-V90 HydrophobicContact CG-CG1 4.29Å; K22-V90 PolarHBondContact NZ-O 2.99Å; I86-V90 WeakPolarHBondContact O-CG2 3.14Å; I86-V90 PolarHBondContact O-N 3.24Å; Q87-V90 PolarHBondContact O-N 3.1Å; V90-K92 PolarHBondContact O-N 3.03Å; V90-Q93 WeakPolarHBondContact O-CB 3.39Å; V90-Q93 PolarHBondContact O-N 3.25Å; V90-Q93 VanDerWaalsContact O-N 3.15Å
91A73.7Confident64.8Low65 Ų65110.3 Ų110.354%0.53755%0.549SS..Hα-helixtrans-60.1-29.6173.300000112.9K22 Q87 E88K22-A91 VanDerWaalsContact NZ-C 3.28Å; K22-A91 PolarHBondContact NZ-O 3.26Å; Q87-A91 VanDerWaalsContact O-CB 3.28Å; Q87-A91 WeakPolarHBondContact O-CB 3.49Å; Q87-A91 PolarHBondContact O-N 3.5Å; E88-A91 PolarHBondContact O-N 3.1Å
92K77.2Confident62.9Low138 Ų138109.9 Ų109.960%0.654%0.544SS*.Hα-helixtrans-85.8-9.1177.9-67.7159.9-164.61700114.5E88 L89 V90E88-K92 WeakPolarHBondContact O-CB 3.17Å; E88-K92 VanDerWaalsContact O-CD 3.27Å; E88-K92 WeakPolarHBondContact O-CD 3.16Å; E88-K92 WeakPolarHBondContact O-CG 3.34Å; E88-K92 PolarHBondContact O-N 3.25Å; E88-K92 IonicContact OE2-NZ 3.68Å; E88-K92 PolarHBondContact OE2-NZ 2.89Å; L89-K92 PolarHBondContact O-N 3.39Å; L89-K92 VanDerWaalsContact O-N 3.13Å; V90-K92 PolarHBondContact O-N 3.03Å
93Q76.9Confident61.2Low110 Ų110109.9 Ų109.951%0.51454%0.538SS..SBendtrans-59.3140.3176.6-71.2174.2-10.400113.3K22 L89 V90 I95K22-Q93 PolarHBondContact NZ-O 3.02Å; L89-Q93 PolarHBondContact O-N 2.66Å; V90-Q93 WeakPolarHBondContact O-CB 3.39Å; V90-Q93 PolarHBondContact O-N 3.25Å; V90-Q93 VanDerWaalsContact O-N 3.15Å; Q93-I95 PolarHBondContact O-N 3.14Å
94R65.2Low59.4Low245 Ų245117.6 Ų117.693%0.92557%0.569SS**  trans-78.7108.6-179.7-59.8178.982.6166.85.8110.3S96R94-S96 PolarHBondContact O-N 3.38Å
95I59.1Low57.1Low86 Ų86118.1 Ų118.144%0.44158%0.584SS.*  trans-59.8123.7173.9-58.9168.2000108.8K22 Q93 E99K22-I95 HydrophobicContact CD-CG1 4.21Å; Q93-I95 PolarHBondContact O-N 3.14Å; I95-E99 HydrophobicContact CG2-CB 3.91Å
96S48Very low54.9Low54 Ų54119.4 Ų119.438%0.37859%0.593SS.*  trans-72.6157.3178.670.20000111.3R94 S98 E99R94-S96 PolarHBondContact O-N 3.38Å; S96-S98 PolarHBondContact O-N 3.38Å; S96-E99 WeakPolarHBondContact CB-OE2 3.2Å; S96-E99 PolarHBondContact N-OE2 3.09Å; S96-E99 PolarHBondContact O-N 3.41Å; S96-E99 WeakPolarHBondContact OG-CG 3.41Å; S96-E99 PolarHBondContact OG-OE2 3.49Å
97K43.4Very low52.6Low189 Ų189119.9 Ų119.982%0.82260%0.602SS**THydrogen-bonded Turntrans-62-25174.9-76-172.4177.1-178.10112.6K100K97-K100 PolarHBondContact O-N 2.87Å
98S43.1Very low50.2Low80 Ų80127.4 Ų127.456%0.55963%0.627SS**G310 helixtrans-63.7-41.5177.3-176.40000112.6S96 K100 I101S96-S98 PolarHBondContact O-N 3.38Å; S98-K100 PolarHBondContact O-N 3.1Å; S98-I101 PolarHBondContact O-N 2.95Å
99E45.4Very low47.8Very low110 Ų110133.4 Ų133.451%0.51465%0.647SS.*G310 helixtrans-69.6-16.7-177.3-69.7163.3101.900113.9I95 S96 I101I95-E99 HydrophobicContact CG2-CB 3.91Å; S96-E99 WeakPolarHBondContact CB-OE2 3.2Å; S96-E99 PolarHBondContact N-OE2 3.09Å; S96-E99 PolarHBondContact O-N 3.41Å; S96-E99 WeakPolarHBondContact OG-CG 3.41Å; S96-E99 PolarHBondContact OG-OE2 3.49Å; E99-I101 PolarHBondContact O-N 3.02Å
100K36.6Very low45.2Very low171 Ų171132.3 Ų132.374%0.74365%0.648SS**G310 helixtrans-76.1-9.8175.8-65.9-164.6175.5-168.90113.6K97 S98K97-K100 PolarHBondContact O-N 2.87Å; S98-K100 PolarHBondContact O-N 3.1Å
101I37.3Very low42.7Very low146 Ų146136.4 Ų136.475%0.74968%0.675SS**G310 helixtrans-122.447.1-176-40-177.5000110.5S98 E99S98-I101 PolarHBondContact O-N 2.95Å; E99-I101 PolarHBondContact O-N 3.02Å
102K33.8Very low40.5Very low175 Ų175139.8 Ų139.876%0.76167%0.674SS**  trans-128.557.9170.1-74-167.6174.6-176.80112.6
103K31.8Very low38.3Very low141 Ų141137.5 Ų137.561%0.61367%0.673SS**  trans-142.6134.1157.4-69.3-167.7174.5-166.30106.6D70D70-K103 IonicContact OD2-NZ 2.71Å; D70-K103 PolarHBondContact OD2-NZ 2.67Å
104F35.7Very low36.1Very low189 Ų189138.5 Ų138.583%0.82969%0.689SS**  cis-111143.63.3-83-116.2000111.8
105S26.3Very low34.4Very low114 Ų114132.9 Ų132.980%0.79767%0.671SS**  trans-129.3106.4155.458.90000107.8
106S29.3Very low33Very low105 Ų105132.8 Ų132.873%0.73468%0.678SS**PPolyproline II helixtrans-64.1148.3176.6-66.30000110.8
107P29.1Very low32.3Very low98 Ų98136.4 Ų136.464%0.63670%0.7SS**PPolyproline II helixtrans-72.2136.2-170.628.4-34.8000112.1Y109P107-Y109 PolarHBondContact O-N 3.44Å
108R27.3Very low31.9Very low243 Ų243132.6 Ų132.692%0.91769%0.688SS**PPolyproline II helixtrans-63.6117.9160.2-77.4-179.4-85.1-178.6-7108.1C110R108-C110 PolarHBondContact O-N 3.07Å
109Y26.1Very low31.5Very low218 Ų218134.1 Ų134.186%0.85570%0.697SS**PPolyproline II helixtrans-65.4125.9170.1-100.6-109.3000109.1P107P107-Y109 PolarHBondContact O-N 3.44Å
110C23.7Very low31.2Very low88 Ų88134.8 Ų134.860%0.59569%0.694SS**PPolyproline II helixtrans-89130.7162.9-610000108.2R108R108-C110 PolarHBondContact O-N 3.07Å
111P28.1Very low31.1Very low100 Ų100136.2 Ų136.265%0.64970%0.695SS**PPolyproline II helixtrans-53.1146.3162.6-24.434.8000110.6
112R27.5Very low31.5Very low136 Ų136132.8 Ų132.851%0.51370%0.696SS.*  trans-118.4125.4176.1-164.1178.7-172.2-167.61106.7R50R50-R112 PolarHBondContact O-NH2 2.8Å
113P30Very low32Very low90 Ų90134.5 Ų134.558%0.58470%0.697SS**PPolyproline II helixtrans-62.7156.1-176.526.3-35.3000111.3
114P31.9Very low32.7Very low131 Ų131132.9 Ų132.985%0.85170%0.701SS**PPolyproline II helixtrans-58.7145.9179.824.6-34.2000111.8
115F29.2Very low33.5Very low127 Ų127126.8 Ų126.856%0.55768%0.681SS**PPolyproline II helixtrans-84126.2179.5-82.2-86.8000111.8
116S30.3Very low35.2Very low83 Ų83124 Ų12458%0.5866%0.66SS**PPolyproline II helixtrans-77.5145.9144.153.40000109.8L118S116-L118 PolarHBondContact O-N 3.16Å
117P32.7Very low37.3Very low130 Ų130123.3 Ų123.384%0.84466%0.66SS**  trans-8086.6-175.931.8-35000111.9
118L34.2Very low39.7Very low109 Ų109119.3 Ų119.357%0.57163%0.634SS**PPolyproline II helixtrans-67.1154.4166.9-65.3176.3000111.4R50 S116R50-L118 PolarHBondContact NH2-O 3.48Å; S116-L118 PolarHBondContact O-N 3.16Å
119P35.1Very low42.1Very low113 Ų113109.7 Ų109.773%0.73460%0.603SS**PPolyproline II helixtrans-61.8157.5175.2-23.734.7000114.2R50R50-P119 VanDerWaalsContact NH2-C 3.34Å; R50-P119 PolarHBondContact NH2-O 2.87Å
120R39Very low43.9Very low124 Ų124103.1 Ų103.147%0.46859%0.594SS.*PPolyproline II helixtrans-82.4142.6169.8-75.2-168.3-178-159.8-2111R123 E174R120-R123 WeakPolarHBondContact CD-O 3.47Å; R120-R123 PolarHBondContact NH1-O 2.99Å; R120-E174 IonicContact CZ-OE1 3.61Å; R120-E174 IonicContact NH1-OE1 3.93Å; R120-E174 IonicContact NH2-OE1 3.33Å; R120-E174 PolarHBondContact NH2-OE1 2.92Å; R120-E174 IonicContact NH2-OE2 3.52Å
121R33.8Very low46.3Very low201 Ų201103.1 Ų103.176%0.75859%0.588SS**SBendtrans-81.9149.2145.5-114.2-170.6-177.8-162.9-0.6109E58 R123E58-R121 VanDerWaalsContact OE2-CD 3.24Å; E58-R121 WeakPolarHBondContact OE2-CD 3.43Å; E58-R121 IonicContact OE2-CZ 3.16Å; E58-R121 IonicContact OE2-NE 3.75Å; E58-R121 IonicContact OE2-NH1 3.31Å; E58-R121 PolarHBondContact OE2-NH1 3.41Å; R121-R123 PolarHBondContact O-N 3.48Å
122G47.3Very low48.9Very low74 Ų7498.4 Ų98.476%0.76356%0.557SS**SBendtrans91.5-84.5154.500000117.6
123R43.7Very low51.8Low210 Ų21095.1 Ų95.179%0.79254%0.544SS*.  trans-140.7151.5-153-64.7-173.2-174.4-119.1-2.1116.7R120 R121R120-R123 WeakPolarHBondContact CD-O 3.47Å; R120-R123 PolarHBondContact NH1-O 2.99Å; R121-R123 PolarHBondContact O-N 3.48Å
124P47.3Very low53.9Low107 Ų10792.9 Ų92.970%0.69553%0.534SS*.PPolyproline II helixtrans-71.7171.7169.932.8-37.1000112.5
125P52.3Low56.5Low62 Ų6288.3 Ų88.340%0.40350%0.501SS..PPolyproline II helixtrans-63151.7174.1-16.530.1000112.6E174P125-E174 HydrophobicContact CB-CG 3.91Å; P125-E174 WeakPolarHBondContact CB-OE1 3.4Å; P125-E174 HydrophobicContact CG-CG 3.88Å; P125-E174 VanDerWaalsContact CG-OE1 3.31Å; P125-E174 WeakPolarHBondContact CG-OE1 3.27Å
126P60.8Low59.4Low55 Ų5582.2 Ų82.236%0.35747%0.474SS..PPolyproline II helixtrans-72.6156.2169.532-34.4000111.8Y167 G168 F169P126-Y167 WeakPolarHBondContact CG-O 3.42Å; P126-G168 WeakPolarHBondContact CD-O 3.39Å; P126-F169 HydrophobicContact CG-CD1 4.43Å; P126-F169 HydrophobicContact CG-CE1 4.09Å; P126-F169 HydrophobicContact CG-CZ 4.15Å; P126-F169 WeakPolarHBondContact O-CE1 3.36Å; P126-F169 WeakPolarHBondContact O-CZ 3.47Å
127A73.6Confident62Low90 Ų9082.6 Ų82.674%0.74446%0.463SS*.PPolyproline II helixtrans-71.8146.6171.500000111.4P129A127-P129 VanDerWaalsContact O-CD 3.25Å; A127-P129 WeakPolarHBondContact O-CD 3.25Å
128L79.7Confident64.4Low15 Ų1581 Ų818%0.07945%0.446CS..PPolyproline II helixtrans-64.3116.4-175.3-169.177.9000112.3L132 R133 L136 F169 M175 A178 A179 M182L128-L132 HydrophobicContact CD1-CD2 3.71Å; L128-L132 HydrophobicContact CD1-CG 4.13Å; L128-R133 HydrophobicContact CD2-CB 3.79Å; L128-R133 HydrophobicContact CD2-CG 4.22Å; L128-R133 HydrophobicContact CG-CB 4.16Å; L128-L136 HydrophobicContact CD2-CD1 4.28Å; L128-F169 HydrophobicContact CB-CZ 4.48Å; L128-F169 HydrophobicContact CD1-CE2 3.92Å; L128-F169 HydrophobicContact CD1-CZ 4.01Å; L128-M175 HydrophobicContact CD1-CG 3.61Å; L128-A178 HydrophobicContact CB-CB 4.3Å; L128-A178 WeakPolarHBondContact CB-O 3.38Å; L128-A179 HydrophobicContact CD2-CB 3.74Å; L128-M182 HydrophobicContact CD2-CE 3.85Å
129P76.9Confident67Low41 Ų4176 Ų7627%0.26642%0.42SS..PPolyproline II helixtrans-61.3142-175.1-29.239.7000114A127 N131 L132 R133 Y167A127-P129 VanDerWaalsContact O-CD 3.25Å; A127-P129 WeakPolarHBondContact O-CD 3.25Å; P129-N131 VanDerWaalsContact C-N 3.27Å; P129-N131 WeakPolarHBondContact CB-OD1 3.19Å; P129-N131 PolarHBondContact O-N 3.33Å; P129-N131 VanDerWaalsContact O-N 3.13Å; P129-L132 PolarHBondContact O-N 2.97Å; P129-L132 VanDerWaalsContact O-N 3.13Å; P129-R133 WeakPolarHBondContact O-CB 3.43Å; P129-R133 PolarHBondContact O-N 3.11Å; P129-Y167 HydrophobicContact CB-CD1 4.39Å; P129-Y167 HydrophobicContact CG-CD1 4.03Å
130A65.4Low69.5Low80 Ų8070.7 Ų70.766%0.66139%0.385SS*.Hα-helixtrans-56.5-33.6-16900000114.8A134A130-A134 PolarHBondContact O-N 3.19Å
131N73.1Confident71.6Confident88 Ų8868.1 Ų68.147%0.47139%0.387SS..Hα-helixtrans-69.1-52.1175.961.1-34.7000112.1P129 R133 A134 Q135P129-N131 VanDerWaalsContact C-N 3.27Å; P129-N131 WeakPolarHBondContact CB-OD1 3.19Å; P129-N131 PolarHBondContact O-N 3.33Å; P129-N131 VanDerWaalsContact O-N 3.13Å; N131-R133 PolarHBondContact O-N 3.34Å; N131-A134 WeakPolarHBondContact O-CB 3.24Å; N131-A134 PolarHBondContact O-N 3.4Å; N131-Q135 WeakPolarHBondContact O-CG 3.27Å; N131-Q135 PolarHBondContact O-N 3.15Å; N131-Q135 PolarHBondContact O-OE1 3.46Å
132L83.4Confident73.9Confident0 Ų064.9 Ų64.90%038%0.38CS..Hα-helixtrans-60.1-38.9176.1177.759.9000111L128 P129 A134 Q135 L136 Y154 L162 Y167 M175L128-L132 HydrophobicContact CD1-CD2 3.71Å; L128-L132 HydrophobicContact CD1-CG 4.13Å; P129-L132 PolarHBondContact O-N 2.97Å; P129-L132 VanDerWaalsContact O-N 3.13Å; L132-A134 VanDerWaalsContact C-N 3.29Å; L132-A134 PolarHBondContact O-N 3.21Å; L132-Q135 PolarHBondContact O-N 3.23Å; L132-L136 HydrophobicContact CD1-CD1 4.08Å; L132-L136 HydrophobicContact CD1-CG 4.12Å; L132-L136 HydrophobicContact CG-CD1 4.03Å; L132-L136 HydrophobicContact CG-CG 4.5Å; L132-L136 WeakPolarHBondContact O-CB 3.49Å; L132-L136 WeakPolarHBondContact O-CG 3.28Å; L132-L136 PolarHBondContact O-N 3.13Å; L132-Y154 HydrophobicContact CD1-CE2 3.87Å; L132-L162 HydrophobicContact CD1-CD1 3.7Å; L132-Y167 HydrophobicContact CB-CD1 4.48Å; L132-Y167 HydrophobicContact CB-CE1 4.18Å; L132-Y167 HydrophobicContact CD1-CE2 4.47Å; L132-Y167 HydrophobicContact CD2-CD1 4.17Å; L132-Y167 HydrophobicContact CD2-CD2 3.77Å; L132-Y167 HydrophobicContact CD2-CE1 4.42Å; L132-Y167 HydrophobicContact CD2-CE2 4.06Å; L132-Y167 HydrophobicContact CD2-CG 3.81Å; L132-M175 HydrophobicContact CD2-CG 4.39Å; L132-M175 HydrophobicContact CD2-SD 4.07Å
133R88Confident75.5Confident68 Ų6862.4 Ų62.426%0.25736%0.355SS..Hα-helixtrans-64.8-23.8174.6176.4167.4174.292.78114.4L128 P129 N131 R137 D181 M182L128-R133 HydrophobicContact CD2-CB 3.79Å; L128-R133 HydrophobicContact CD2-CG 4.22Å; L128-R133 HydrophobicContact CG-CB 4.16Å; P129-R133 WeakPolarHBondContact O-CB 3.43Å; P129-R133 PolarHBondContact O-N 3.11Å; N131-R133 PolarHBondContact O-N 3.34Å; R133-R137 VanDerWaalsContact CG-NH1 3.28Å; R133-R137 PolarHBondContact O-NH1 2.92Å; R133-R137 VanDerWaalsContact O-NH1 3.11Å; R133-D181 IonicContact CZ-OD1 3.83Å; R133-D181 IonicContact CZ-OD2 2.66Å; R133-D181 IonicContact NH1-OD1 3.76Å; R133-D181 PolarHBondContact NH1-OD1 2.68Å; R133-D181 IonicContact NH1-OD2 2.64Å; R133-D181 PolarHBondContact NH1-OD2 3.05Å; R133-D181 IonicContact NH2-OD1 3.58Å; R133-D181 IonicContact NH2-OD2 2.78Å; R133-D181 PolarHBondContact NH2-OD2 3.2Å; R133-M182 HydrophobicContact CG-CE 3.94Å; R133-M182 HydrophobicContact CG-SD 4.16Å
134A74.5Confident77.5Confident43 Ų4356.7 Ų56.736%0.35535%0.345SS..Hα-helixtrans-86-42.1169.900000111.3A130 N131 L132 L136 R137 I138A130-A134 PolarHBondContact O-N 3.19Å; N131-A134 WeakPolarHBondContact O-CB 3.24Å; N131-A134 PolarHBondContact O-N 3.4Å; L132-A134 VanDerWaalsContact C-N 3.29Å; L132-A134 PolarHBondContact O-N 3.21Å; A134-L136 PolarHBondContact O-N 3.41Å; A134-R137 WeakPolarHBondContact O-CB 3.43Å; A134-R137 PolarHBondContact O-N 2.93Å; A134-R137 VanDerWaalsContact O-N 3.09Å; A134-I138 PolarHBondContact O-N 3.34Å
135Q86.1Confident79.5Confident34 Ų3452.3 Ų52.316%0.15932%0.315CS..Hα-helixtrans-62.3-40.8179.3-70.7170.9-6700112.5N131 L132 R137 I138 L139 Y154 Y158N131-Q135 WeakPolarHBondContact O-CG 3.27Å; N131-Q135 PolarHBondContact O-N 3.15Å; N131-Q135 PolarHBondContact O-OE1 3.46Å; L132-Q135 PolarHBondContact O-N 3.23Å; Q135-R137 VanDerWaalsContact C-N 3.33Å; Q135-I138 PolarHBondContact O-N 3.41Å; Q135-L139 VanDerWaalsContact O-CB 3.26Å; Q135-L139 WeakPolarHBondContact O-CB 3.43Å; Q135-L139 PolarHBondContact O-N 3.45Å; Q135-Y154 HydrophobicContact CB-CE2 3.97Å; Q135-Y154 PolarHBondContact OE1-OH 3.16Å; Q135-Y158 WeakPolarHBondContact CA-OH 3.44Å; Q135-Y158 HydrophobicContact CB-CD2 4.45Å; Q135-Y158 HydrophobicContact CB-CE1 4.35Å; Q135-Y158 HydrophobicContact CB-CE2 3.78Å; Q135-Y158 HydrophobicContact CG-CD1 4.5Å; Q135-Y158 HydrophobicContact CG-CE1 4.04Å; Q135-Y158 HydrophobicContact CG-CE2 4.29Å; Q135-Y158 PolarHBondContact O-OH 3.05Å
136L89.2Confident81.2Confident0 Ų053.4 Ų53.40%031%0.311CS..Hα-helixtrans-67.6-30.5173.9-70170.2000112.6L128 L132 A134 L139 L140 L150 Y154 M175 I183L128-L136 HydrophobicContact CD2-CD1 4.28Å; L132-L136 HydrophobicContact CD1-CD1 4.08Å; L132-L136 HydrophobicContact CD1-CG 4.12Å; L132-L136 HydrophobicContact CG-CD1 4.03Å; L132-L136 HydrophobicContact CG-CG 4.5Å; L132-L136 WeakPolarHBondContact O-CB 3.49Å; L132-L136 WeakPolarHBondContact O-CG 3.28Å; L132-L136 PolarHBondContact O-N 3.13Å; A134-L136 PolarHBondContact O-N 3.41Å; L136-L139 HydrophobicContact CD2-CD2 4.47Å; L136-L140 WeakPolarHBondContact O-CB 3.42Å; L136-L140 VanDerWaalsContact O-CG 3.29Å; L136-L140 WeakPolarHBondContact O-CG 3.5Å; L136-L140 PolarHBondContact O-N 3.24Å; L136-L140 VanDerWaalsContact O-N 3.13Å; L136-L150 HydrophobicContact CD2-CD1 3.98Å; L136-Y154 HydrophobicContact CD2-CD2 4.18Å; L136-Y154 HydrophobicContact CD2-CE2 4.46Å; L136-M175 HydrophobicContact CD1-CE 3.9Å; L136-M175 HydrophobicContact CD1-SD 4.2Å; L136-M175 HydrophobicContact CD2-CE 4.46Å; L136-I183 HydrophobicContact CB-CD1 4.45Å; L136-I183 HydrophobicContact CD1-CD1 4.49Å
137R86.1Confident82.4Confident90 Ų9053.8 Ų53.834%0.3431%0.31SS..Hα-helixtrans-68-49.6171.8-80.7-173.6175.682.6-2.7111.9R133 A134 Q135 L139 L140 S141 M182 L196R133-R137 VanDerWaalsContact CG-NH1 3.28Å; R133-R137 PolarHBondContact O-NH1 2.92Å; R133-R137 VanDerWaalsContact O-NH1 3.11Å; A134-R137 WeakPolarHBondContact O-CB 3.43Å; A134-R137 PolarHBondContact O-N 2.93Å; A134-R137 VanDerWaalsContact O-N 3.09Å; Q135-R137 VanDerWaalsContact C-N 3.33Å; R137-L139 PolarHBondContact O-N 2.73Å; R137-L140 PolarHBondContact O-N 3.01Å; R137-L140 VanDerWaalsContact O-N 3.17Å; R137-S141 WeakPolarHBondContact O-CB 3.46Å; R137-S141 PolarHBondContact O-N 2.72Å; R137-S141 PolarHBondContact O-OG 3.06Å; R137-M182 HydrophobicContact CG-CG 4.32Å; R137-M182 HydrophobicContact CG-SD 3.81Å; R137-M182 PolarHBondContact NH1-SD 3.06Å; R137-L196 HydrophobicContact CG-CD2 4.23Å
138I82.8Confident83Confident96 Ų9654 Ų5449%0.49231%0.307SS..Hα-helixtrans-64.5-30.5180-66.6164000111.5A134 Q135 S141 Q142 Y158A134-I138 PolarHBondContact O-N 3.34Å; Q135-I138 PolarHBondContact O-N 3.41Å; I138-S141 WeakPolarHBondContact CA-OG 3.27Å; I138-S141 PolarHBondContact O-OG 2.9Å; I138-Q142 PolarHBondContact O-NE2 3.41Å; I138-Y158 WeakPolarHBondContact CB-OH 3.4Å; I138-Y158 WeakPolarHBondContact CG2-OH 3.44Å
139L88.1Confident83.3Confident6 Ų656.7 Ų56.73%0.03132%0.319CS..Hα-helixtrans-69.2-43.6173.2-17862.4000112.1Q135 L136 R137 L145 L150 Y154 C157Q135-L139 VanDerWaalsContact O-CB 3.26Å; Q135-L139 WeakPolarHBondContact O-CB 3.43Å; Q135-L139 PolarHBondContact O-N 3.45Å; L136-L139 HydrophobicContact CD2-CD2 4.47Å; R137-L139 PolarHBondContact O-N 2.73Å; L139-L145 HydrophobicContact CD1-CD2 4.18Å; L139-L145 HydrophobicContact CD2-CD2 3.71Å; L139-L145 HydrophobicContact CG-CD2 3.72Å; L139-L150 HydrophobicContact CD2-CD1 3.95Å; L139-Y154 HydrophobicContact CD2-CD2 4.02Å; L139-Y154 HydrophobicContact CD2-CG 4.42Å; L139-C157 HydrophobicContact CD1-CB 4.13Å; L139-C157 VanDerWaalsContact CD1-SG 3.53Å
140L88.6Confident83.9Confident0 Ų054.8 Ų54.80%031%0.306CS..Hα-helixtrans-82.4-21.8-178.1-66174.4000113.7L136 R137 Q142 G143 L145 I183 L194 L196L136-L140 WeakPolarHBondContact O-CB 3.42Å; L136-L140 VanDerWaalsContact O-CG 3.29Å; L136-L140 WeakPolarHBondContact O-CG 3.5Å; L136-L140 PolarHBondContact O-N 3.24Å; L136-L140 VanDerWaalsContact O-N 3.13Å; R137-L140 PolarHBondContact O-N 3.01Å; R137-L140 VanDerWaalsContact O-N 3.17Å; L140-Q142 PolarHBondContact O-N 3.31Å; L140-G143 CarbonylContact O-C 3.49Å; L140-G143 PolarHBondContact O-N 3.29Å; L140-L145 HydrophobicContact CD2-CB 3.67Å; L140-L145 HydrophobicContact CD2-CD2 4.21Å; L140-I183 HydrophobicContact CD1-CB 4.37Å; L140-I183 HydrophobicContact CD1-CD1 3.78Å; L140-I183 HydrophobicContact CD1-CG1 3.7Å; L140-I183 HydrophobicContact CD1-CG2 3.96Å; L140-L194 HydrophobicContact CD2-CB 3.87Å; L140-L196 HydrophobicContact CB-CD2 3.81Å; L140-L196 HydrophobicContact CB-CG 3.79Å; L140-L196 HydrophobicContact CD1-CD2 4.24Å
141S82.6Confident84.7Confident71 Ų7156.3 Ų56.350%0.49730%0.3SS..THydrogen-bonded Turntrans-72.40.2171.365.20000113.8R137 I138 G143R137-S141 WeakPolarHBondContact O-CB 3.46Å; R137-S141 PolarHBondContact O-N 2.72Å; R137-S141 PolarHBondContact O-OG 3.06Å; I138-S141 WeakPolarHBondContact CA-OG 3.27Å; I138-S141 PolarHBondContact O-OG 2.9Å; S141-G143 VanDerWaalsContact C-N 3.34Å
142Q82.3Confident84.9Confident132 Ų13254.6 Ų54.662%0.61730%0.298SS*.THydrogen-bonded Turntrans-88.2-7166.4-67.1164.86600111.9I138 L140I138-Q142 PolarHBondContact O-NE2 3.41Å; L140-Q142 PolarHBondContact O-N 3.31Å
143G80.3Confident84.7Confident23 Ų2355.6 Ų55.624%0.23731%0.305CS..  trans128.2171.5176.800000113.4L140 S141 L145L140-G143 CarbonylContact O-C 3.49Å; L140-G143 PolarHBondContact O-N 3.29Å; S141-G143 VanDerWaalsContact C-N 3.34Å; G143-L145 PolarHBondContact O-N 3.07Å
144P85.4Confident84.7Confident90 Ų9052.3 Ų52.358%0.58429%0.292SS*.  trans-60.6128.5180-23.734.6000112.7V193 L194 C195P144-V193 HydrophobicContact CB-CG1 3.66Å; P144-L194 CarbonylContact C-O 3.5Å; P144-L194 VanDerWaalsContact CA-O 3.32Å; P144-L194 WeakPolarHBondContact CA-O 3.36Å; P144-C195 HydrophobicContact CB-CB 4.44Å
145L89.6Confident84.9Confident14 Ų1454.1 Ų54.17%0.07330%0.295CS..EExtended strand (participates in β ladder)trans-119126.5-171175.657.8000110.5L139 L140 G143 E149 L150 S153 L194L139-L145 HydrophobicContact CD1-CD2 4.18Å; L139-L145 HydrophobicContact CD2-CD2 3.71Å; L139-L145 HydrophobicContact CG-CD2 3.72Å; L140-L145 HydrophobicContact CD2-CB 3.67Å; L140-L145 HydrophobicContact CD2-CD2 4.21Å; G143-L145 PolarHBondContact O-N 3.07Å; L145-E149 HydrophobicContact CD1-CB 3.77Å; L145-L150 HydrophobicContact CD2-CD1 3.97Å; L145-S153 WeakPolarHBondContact CD1-OG 3.44Å; L145-L194 PolarHBondContact N-O 2.99Å; L145-L194 WeakPolarHBondContact O-CA 3.49Å; L145-L194 VanDerWaalsContact O-CB 3.3Å; L145-L194 WeakPolarHBondContact O-CB 3.46Å; L145-L194 PolarHBondContact O-N 3.47Å
146R88.4Confident84.5Confident85 Ų8562 Ų6232%0.32132%0.324SS..EExtended strand (participates in β ladder)trans-68.8142.9-176.9-56.4177.858.5-137.67.8110.3S148 E149 L150 L190 V193R146-S148 PolarHBondContact O-N 3.43Å; R146-E149 HydrophobicContact CB-CB 4.35Å; R146-E149 HydrophobicContact CB-CG 4.29Å; R146-E149 WeakPolarHBondContact CB-OE2 3Å; R146-E149 WeakPolarHBondContact CD-OE1 3.36Å; R146-E149 IonicContact CZ-OE1 2.75Å; R146-E149 IonicContact NE-OE1 2.66Å; R146-E149 IonicContact NH1-OE1 2.7Å; R146-E149 PolarHBondContact NH1-OE1 3.22Å; R146-E149 CarbonylContact O-C 3.6Å; R146-E149 WeakPolarHBondContact O-CA 3.38Å; R146-E149 WeakPolarHBondContact O-CB 3.3Å; R146-E149 PolarHBondContact O-N 3.31Å; R146-L150 PolarHBondContact O-N 3.37Å; R146-L150 VanDerWaalsContact O-N 3.11Å; R146-L190 PolarHBondContact NH2-O 3.03Å; R146-V193 HydrophobicContact CG-CG2 4.3Å
147L87Confident83.6Confident63 Ų6364.4 Ų64.433%0.3334%0.34SS..THydrogen-bonded Turntrans-59-34.2-176.8175.957.8000112.2E149 L150 T172 L176 S192 L194L147-E149 PolarHBondContact O-N 3.21Å; L147-L150 HydrophobicContact CD1-CD2 4.49Å; L147-T172 HydrophobicContact CD1-CG2 4.39Å; L147-L176 HydrophobicContact CD1-CD1 3.38Å; L147-S192 PolarHBondContact N-O 3.3Å; L147-L194 HydrophobicContact CB-CG 4.44Å; L147-L194 HydrophobicContact CD1-CD1 4.08Å; L147-L194 HydrophobicContact CD1-CD2 4.36Å
148S84.4Confident83Confident96 Ų9662.8 Ų62.867%0.67133%0.334SS*.THydrogen-bonded Turntrans-66.3-19.4172.650.40000114.6R146R146-S148 PolarHBondContact O-N 3.43Å
149E87.4Confident82.3Confident70 Ų7061.4 Ų61.433%0.32734%0.344SS..THydrogen-bonded Turntrans-105.5-10.1-176.5-70.3154.1-153.300112.2L145 R146 L147 E151 A152 S153L145-E149 HydrophobicContact CD1-CB 3.77Å; R146-E149 HydrophobicContact CB-CB 4.35Å; R146-E149 HydrophobicContact CB-CG 4.29Å; R146-E149 WeakPolarHBondContact CB-OE2 3Å; R146-E149 WeakPolarHBondContact CD-OE1 3.36Å; R146-E149 IonicContact CZ-OE1 2.75Å; R146-E149 IonicContact NE-OE1 2.66Å; R146-E149 IonicContact NH1-OE1 2.7Å; R146-E149 PolarHBondContact NH1-OE1 3.22Å; R146-E149 CarbonylContact O-C 3.6Å; R146-E149 WeakPolarHBondContact O-CA 3.38Å; R146-E149 WeakPolarHBondContact O-CB 3.3Å; R146-E149 PolarHBondContact O-N 3.31Å; L147-E149 PolarHBondContact O-N 3.21Å; E149-E151 PolarHBondContact O-N 3.44Å; E149-A152 PolarHBondContact O-N 3.01Å; E149-A152 VanDerWaalsContact O-N 3.14Å; E149-S153 PolarHBondContact O-N 2.84Å; E149-S153 PolarHBondContact O-OG 2.72Å
150L88.4Confident81.5Confident2 Ų265.5 Ų65.51%0.0136%0.361CS..Hα-helixtrans-50.4-51.6-175.9176.163.6000113.2L136 L139 L145 R146 L147 Y154 L162 T172 M175 L176 L194L136-L150 HydrophobicContact CD2-CD1 3.98Å; L139-L150 HydrophobicContact CD2-CD1 3.95Å; L145-L150 HydrophobicContact CD2-CD1 3.97Å; R146-L150 PolarHBondContact O-N 3.37Å; R146-L150 VanDerWaalsContact O-N 3.11Å; L147-L150 HydrophobicContact CD1-CD2 4.49Å; L150-Y154 WeakPolarHBondContact O-CB 3.29Å; L150-Y154 PolarHBondContact O-N 3.47Å; L150-L162 HydrophobicContact CD1-CD2 4.34Å; L150-L162 HydrophobicContact CD2-CD2 3.9Å; L150-L162 HydrophobicContact CG-CD2 3.74Å; L150-T172 HydrophobicContact CD2-CG2 3.77Å; L150-M175 HydrophobicContact CD2-CE 4.12Å; L150-L176 HydrophobicContact CD2-CD1 4.31Å; L150-L176 HydrophobicContact CD2-CD2 4.23Å; L150-L194 HydrophobicContact CB-CD1 4.08Å; L150-L194 HydrophobicContact CD1-CD1 3.93Å; L150-L194 HydrophobicContact CD2-CD1 3.76Å; L150-L194 HydrophobicContact CG-CD1 4.12Å
151E83.8Confident80.5Confident112 Ų11267.3 Ų67.352%0.52337%0.373SS..Hα-helixtrans-69.4-36-177.8-179.7166.1-162.900112.4E149 L155 L162E149-E151 PolarHBondContact O-N 3.44Å; E151-L155 VanDerWaalsContact O-CB 3.28Å; E151-L155 WeakPolarHBondContact O-CB 3.5Å; E151-L155 PolarHBondContact O-N 3.21Å; E151-L162 HydrophobicContact CB-CB 4.44Å; E151-L162 HydrophobicContact CG-CB 4.16Å
152A77.2Confident80.2Confident52 Ų5264.3 Ų64.343%0.4335%0.352SS..Hα-helixtrans-71.3-41.1178.900000112.2E149 R156E149-A152 PolarHBondContact O-N 3.01Å; E149-A152 VanDerWaalsContact O-N 3.14Å; A152-R156 WeakPolarHBondContact O-CB 3.42Å; A152-R156 PolarHBondContact O-N 3.18Å
153S79.2Confident80Confident20 Ų2065.3 Ų65.314%0.1435%0.35CS..Hα-helixtrans-74.6-35.3176.8-64.10000111.9L145 E149 R156 C157L145-S153 WeakPolarHBondContact CD1-OG 3.44Å; E149-S153 PolarHBondContact O-N 2.84Å; E149-S153 PolarHBondContact O-OG 2.72Å; S153-R156 PolarHBondContact O-N 3.06Å; S153-C157 PolarHBondContact O-N 3.04Å; S153-C157 PolarHBondContact O-SG 3.02Å; S153-C157 VanDerWaalsContact O-SG 3.39Å
154Y88Confident79.7Confident0 Ų064.9 Ų64.90%034%0.342CS..Hα-helixtrans-60.5-46.2170-172.5-80.3000111.4L132 Q135 L136 L139 L150 R156 C157 Y158 F160 L162L132-Y154 HydrophobicContact CD1-CE2 3.87Å; Q135-Y154 HydrophobicContact CB-CE2 3.97Å; Q135-Y154 PolarHBondContact OE1-OH 3.16Å; L136-Y154 HydrophobicContact CD2-CD2 4.18Å; L136-Y154 HydrophobicContact CD2-CE2 4.46Å; L139-Y154 HydrophobicContact CD2-CD2 4.02Å; L139-Y154 HydrophobicContact CD2-CG 4.42Å; L150-Y154 WeakPolarHBondContact O-CB 3.29Å; L150-Y154 PolarHBondContact O-N 3.47Å; Y154-R156 VanDerWaalsContact C-N 3.3Å; Y154-R156 PolarHBondContact O-N 3.42Å; Y154-C157 PolarHBondContact O-N 3.19Å; Y154-Y158 HydrophobicContact CD1-CD2 4.1Å; Y154-Y158 AromaticContact CD2-CD2 3.86Å; Y154-Y158 HydrophobicContact CD2-CD2 3.86Å; Y154-Y158 HydrophobicContact CD2-CE2 4.02Å; Y154-Y158 HydrophobicContact CE1-CD2 4.05Å; Y154-Y158 AromaticContact CE2-CD2 3.8Å; Y154-Y158 HydrophobicContact CE2-CD2 3.8Å; Y154-Y158 AromaticContact CE2-CE2 3.98Å; Y154-Y158 HydrophobicContact CE2-CE2 3.98Å; Y154-Y158 HydrophobicContact CG-CD2 4.01Å; Y154-Y158 AromaticContact CZ-CD2 3.9Å; Y154-Y158 WeakPolarHBondContact O-CD2 3.43Å; Y154-Y158 PolarHBondContact O-N 3.49Å; Y154-F160 HydrophobicContact CE1-CD2 4.13Å; Y154-F160 AromaticContact CE1-CE2 3.81Å; Y154-F160 HydrophobicContact CE1-CE2 3.81Å; Y154-L162 HydrophobicContact CD1-CB 3.76Å; Y154-L162 HydrophobicContact CD1-CD1 4.24Å; Y154-L162 HydrophobicContact CD2-CD1 3.93Å; Y154-L162 HydrophobicContact CD2-CD2 4.4Å; Y154-L162 HydrophobicContact CE1-CB 4.29Å; Y154-L162 HydrophobicContact CE1-CD1 4.15Å; Y154-L162 HydrophobicContact CE2-CD1 3.83Å; Y154-L162 HydrophobicContact CG-CB 3.92Å; Y154-L162 HydrophobicContact CG-CD1 4.14Å; Y154-L162 HydrophobicContact CG-CD2 4.34Å; Y154-L162 HydrophobicContact CG-CG 4.35Å
155L78.7Confident78.9Confident80 Ų8066.7 Ų66.742%0.41934%0.342SS..Hα-helixtrans-58.2-41.2173.5173.562.3000111.9E151 G159 P161E151-L155 VanDerWaalsContact O-CB 3.28Å; E151-L155 WeakPolarHBondContact O-CB 3.5Å; E151-L155 PolarHBondContact O-N 3.21Å; L155-G159 VanDerWaalsContact O-CA 3.3Å; L155-G159 WeakPolarHBondContact O-CA 3.32Å; L155-G159 PolarHBondContact O-N 3.36Å; L155-P161 HydrophobicContact CD1-CB 4.5Å
156R77.4Confident78Confident199 Ų19971.7 Ų71.775%0.75137%0.369SS*.Hα-helixtrans-66.1-42.3178.3-168.5-175.8-61.5168.71.3112.8A152 S153 Y154A152-R156 WeakPolarHBondContact O-CB 3.42Å; A152-R156 PolarHBondContact O-N 3.18Å; S153-R156 PolarHBondContact O-N 3.06Å; Y154-R156 VanDerWaalsContact C-N 3.3Å; Y154-R156 PolarHBondContact O-N 3.42Å
157C69.9Low76.9Confident51 Ų5170.2 Ų70.235%0.34536%0.364SS..Hα-helixtrans-79-26-177.4-66.60000114.1L139 S153 Y154L139-C157 HydrophobicContact CD1-CB 4.13Å; L139-C157 VanDerWaalsContact CD1-SG 3.53Å; S153-C157 PolarHBondContact O-N 3.04Å; S153-C157 PolarHBondContact O-SG 3.02Å; S153-C157 VanDerWaalsContact O-SG 3.39Å; Y154-C157 PolarHBondContact O-N 3.19Å
158Y74.4Confident75.7Confident57 Ų5769 Ų6922%0.22437%0.366CS..Hα-helixtrans-120.3-6.6-174.2-59.9-63.3000115.3Q135 I138 Y154 F160Q135-Y158 WeakPolarHBondContact CA-OH 3.44Å; Q135-Y158 HydrophobicContact CB-CD2 4.45Å; Q135-Y158 HydrophobicContact CB-CE1 4.35Å; Q135-Y158 HydrophobicContact CB-CE2 3.78Å; Q135-Y158 HydrophobicContact CG-CD1 4.5Å; Q135-Y158 HydrophobicContact CG-CE1 4.04Å; Q135-Y158 HydrophobicContact CG-CE2 4.29Å; Q135-Y158 PolarHBondContact O-OH 3.05Å; I138-Y158 WeakPolarHBondContact CB-OH 3.4Å; I138-Y158 WeakPolarHBondContact CG2-OH 3.44Å; Y154-Y158 HydrophobicContact CD1-CD2 4.1Å; Y154-Y158 AromaticContact CD2-CD2 3.86Å; Y154-Y158 HydrophobicContact CD2-CD2 3.86Å; Y154-Y158 HydrophobicContact CD2-CE2 4.02Å; Y154-Y158 HydrophobicContact CE1-CD2 4.05Å; Y154-Y158 AromaticContact CE2-CD2 3.8Å; Y154-Y158 HydrophobicContact CE2-CD2 3.8Å; Y154-Y158 AromaticContact CE2-CE2 3.98Å; Y154-Y158 HydrophobicContact CE2-CE2 3.98Å; Y154-Y158 HydrophobicContact CG-CD2 4.01Å; Y154-Y158 AromaticContact CZ-CD2 3.9Å; Y154-Y158 WeakPolarHBondContact O-CD2 3.43Å; Y154-Y158 PolarHBondContact O-N 3.49Å; Y158-F160 WeakPolarHBondContact O-CD1 3.17Å; Y158-F160 WeakPolarHBondContact O-CE1 3.43Å; Y158-F160 PolarHBondContact O-N 3.45Å
159G66.6Low75.1Confident67 Ų6764.4 Ų64.469%0.69133%0.334SS*.SBendtrans75.42.6178.300000115.3L155L155-G159 VanDerWaalsContact O-CA 3.3Å; L155-G159 WeakPolarHBondContact O-CA 3.32Å; L155-G159 PolarHBondContact O-N 3.36Å
160F72Confident73.7Confident91 Ų9168.2 Ų68.240%0.39935%0.347SS..SBendtrans-141.6148.6175.559.5-93.5000111.8Y154 Y158Y154-F160 HydrophobicContact CE1-CD2 4.13Å; Y154-F160 AromaticContact CE1-CE2 3.81Å; Y154-F160 HydrophobicContact CE1-CE2 3.81Å; Y158-F160 WeakPolarHBondContact O-CD1 3.17Å; Y158-F160 WeakPolarHBondContact O-CE1 3.43Å; Y158-F160 PolarHBondContact O-N 3.45Å
161P67.1Low73Confident39 Ų3970.5 Ų70.525%0.25336%0.363SS..  trans-71.8156.6-173.527.7-34.3000112.8L155 R163L155-P161 HydrophobicContact CD1-CB 4.5Å; P161-R163 HydrophobicContact CG-CG 4.15Å; P161-R163 PolarHBondContact O-N 3.21Å
162L76.7Confident72.8Confident7 Ų767.6 Ų67.64%0.03735%0.353CS..  trans-73.771.3-179.1-177.551.9000111.4L132 L150 E151 Y154 I164 M175L132-L162 HydrophobicContact CD1-CD1 3.7Å; L150-L162 HydrophobicContact CD1-CD2 4.34Å; L150-L162 HydrophobicContact CD2-CD2 3.9Å; L150-L162 HydrophobicContact CG-CD2 3.74Å; E151-L162 HydrophobicContact CB-CB 4.44Å; E151-L162 HydrophobicContact CG-CB 4.16Å; Y154-L162 HydrophobicContact CD1-CB 3.76Å; Y154-L162 HydrophobicContact CD1-CD1 4.24Å; Y154-L162 HydrophobicContact CD2-CD1 3.93Å; Y154-L162 HydrophobicContact CD2-CD2 4.4Å; Y154-L162 HydrophobicContact CE1-CB 4.29Å; Y154-L162 HydrophobicContact CE1-CD1 4.15Å; Y154-L162 HydrophobicContact CE2-CD1 3.83Å; Y154-L162 HydrophobicContact CG-CB 3.92Å; Y154-L162 HydrophobicContact CG-CD1 4.14Å; Y154-L162 HydrophobicContact CG-CD2 4.34Å; Y154-L162 HydrophobicContact CG-CG 4.35Å; L162-I164 HydrophobicContact CD1-CG2 4.29Å; L162-I164 HydrophobicContact CG-CG2 3.91Å; L162-I164 WeakPolarHBondContact O-CG2 3.45Å; L162-I164 PolarHBondContact O-N 2.99Å; L162-M175 HydrophobicContact CD1-SD 4.1Å; L162-M175 HydrophobicContact CD2-CE 4.27Å; L162-M175 HydrophobicContact CD2-SD 4.49Å; L162-M175 HydrophobicContact CG-SD 4.5Å
163R77.4Confident73Confident153 Ų15374.9 Ų74.958%0.57737%0.369SS*.  trans-72.970-177.1-66.3-179.5178.6164.41.3112.4P161 H165 N166 Y167P161-R163 HydrophobicContact CG-CG 4.15Å; P161-R163 PolarHBondContact O-N 3.21Å; R163-H165 PolarHBondContact O-N 2.91Å; R163-N166 HydrophobicContact CB-CB 4.33Å; R163-N166 VanDerWaalsContact O-CB 3.32Å; R163-N166 WeakPolarHBondContact O-CB 3.25Å; R163-N166 PolarHBondContact O-N 2.61Å; R163-Y167 WeakPolarHBondContact O-CD2 3.36Å
164I75.3Confident73Confident15 Ų1574.9 Ų74.98%0.07737%0.367CS..G310 helixtrans-50.8-33.4-177.463.9177.1000114.1L162 N166 Y167 G168 F169 T172 M175L162-I164 HydrophobicContact CD1-CG2 4.29Å; L162-I164 HydrophobicContact CG-CG2 3.91Å; L162-I164 WeakPolarHBondContact O-CG2 3.45Å; L162-I164 PolarHBondContact O-N 2.99Å; I164-N166 VanDerWaalsContact C-N 3.28Å; I164-N166 PolarHBondContact O-N 3.34Å; I164-Y167 PolarHBondContact O-N 2.99Å; I164-G168 PolarHBondContact O-N 2.85Å; I164-F169 HydrophobicContact CB-CB 4.26Å; I164-F169 PolarHBondContact O-N 2.8Å; I164-T172 VanDerWaalsContact CD1-N 3.28Å; I164-M175 HydrophobicContact CG2-CB 4.41Å; I164-M175 HydrophobicContact CG2-CG 4.41Å; I164-M175 HydrophobicContact CG2-SD 3.52Å; I164-M175 VanDerWaalsContact CG2-SD 3.52Å
165H67.8Low73.1Confident127 Ų12774.9 Ų74.959%0.58837%0.367SS*.G310 helixtrans-64.5-29.8177.9-57.8-35.6000113R163 Y167 G168 F169 Y170R163-H165 PolarHBondContact O-N 2.91Å; H165-Y167 PolarHBondContact O-N 3.29Å; H165-G168 PolarHBondContact O-N 2.84Å; H165-G168 VanDerWaalsContact O-N 3.11Å; H165-F169 WeakPolarHBondContact CA-O 3.35Å; H165-F169 PolarHBondContact ND1-O 3.31Å; H165-Y170 PolarHBondContact CE1-O 2.93Å
166N71.1Confident73.6Confident120 Ų12071.4 Ų71.464%0.64235%0.349SS*.G310 helixtrans-68.4-18175.8-65.919.3000112.3R163 I164R163-N166 HydrophobicContact CB-CB 4.33Å; R163-N166 VanDerWaalsContact O-CB 3.32Å; R163-N166 WeakPolarHBondContact O-CB 3.25Å; R163-N166 PolarHBondContact O-N 2.61Å; I164-N166 VanDerWaalsContact C-N 3.28Å; I164-N166 PolarHBondContact O-N 3.34Å
167Y66.2Low73.9Confident54 Ų5467 Ų6721%0.21234%0.337CS..G310 helixtrans-103.57.6176.2-53.6-84000112.4P126 P129 L132 R163 I164 H165P126-Y167 WeakPolarHBondContact CG-O 3.42Å; P129-Y167 HydrophobicContact CB-CD1 4.39Å; P129-Y167 HydrophobicContact CG-CD1 4.03Å; L132-Y167 HydrophobicContact CB-CD1 4.48Å; L132-Y167 HydrophobicContact CB-CE1 4.18Å; L132-Y167 HydrophobicContact CD1-CE2 4.47Å; L132-Y167 HydrophobicContact CD2-CD1 4.17Å; L132-Y167 HydrophobicContact CD2-CD2 3.77Å; L132-Y167 HydrophobicContact CD2-CE1 4.42Å; L132-Y167 HydrophobicContact CD2-CE2 4.06Å; L132-Y167 HydrophobicContact CD2-CG 3.81Å; R163-Y167 WeakPolarHBondContact O-CD2 3.36Å; I164-Y167 PolarHBondContact O-N 2.99Å; H165-Y167 PolarHBondContact O-N 3.29Å
168G61.7Low74.5Confident36 Ų3666 Ų6637%0.37133%0.332SS..THydrogen-bonded Turntrans85.911.617500000116.2P126 I164 H165P126-G168 WeakPolarHBondContact CD-O 3.39Å; I164-G168 PolarHBondContact O-N 2.85Å; H165-G168 PolarHBondContact O-N 2.84Å; H165-G168 VanDerWaalsContact O-N 3.11Å
169F71.7Confident75.1Confident1 Ų163.3 Ų63.30%0.00432%0.321CS..  trans-94.2139.3175.5-58.5-76.2000111.7P126 L128 I164 H165 E174 M175 A178P126-F169 HydrophobicContact CG-CD1 4.43Å; P126-F169 HydrophobicContact CG-CE1 4.09Å; P126-F169 HydrophobicContact CG-CZ 4.15Å; P126-F169 WeakPolarHBondContact O-CE1 3.36Å; P126-F169 WeakPolarHBondContact O-CZ 3.47Å; L128-F169 HydrophobicContact CB-CZ 4.48Å; L128-F169 HydrophobicContact CD1-CE2 3.92Å; L128-F169 HydrophobicContact CD1-CZ 4.01Å; I164-F169 HydrophobicContact CB-CB 4.26Å; I164-F169 PolarHBondContact O-N 2.8Å; H165-F169 WeakPolarHBondContact CA-O 3.35Å; H165-F169 PolarHBondContact ND1-O 3.31Å; F169-E174 HydrophobicContact CD1-CB 4.46Å; F169-E174 HydrophobicContact CD1-CG 4.09Å; F169-M175 HydrophobicContact CB-CB 4.15Å; F169-M175 HydrophobicContact CD1-CB 4.19Å; F169-M175 HydrophobicContact CD2-CB 4.03Å; F169-M175 HydrophobicContact CD2-CG 3.94Å; F169-M175 HydrophobicContact CE2-CG 4.15Å; F169-M175 HydrophobicContact CG-CB 3.84Å; F169-M175 HydrophobicContact CG-CG 4.27Å; F169-A178 HydrophobicContact CE1-CB 3.61Å; F169-A178 HydrophobicContact CZ-CB 3.97Å
170Y57Low76Confident149 Ų14967.4 Ų67.458%0.58432%0.316SS*.SBendtrans-90.1-16.9178.3-58.6-83.5000113.3H165 E174H165-Y170 PolarHBondContact CE1-O 2.93Å; Y170-E174 WeakPolarHBondContact CA-OE2 3.41Å; Y170-E174 VanDerWaalsContact CB-OE2 3.32Å; Y170-E174 WeakPolarHBondContact CB-OE2 3.33Å; Y170-E174 WeakPolarHBondContact CD2-OE2 3.32Å; Y170-E174 PolarHBondContact N-OE2 2.84Å
171S74.3Confident76.5Confident50 Ų5067.4 Ų67.435%0.3532%0.32SS..SBendtrans-152.5156.317768.60000112.9R173 E174 M175S171-R173 PolarHBondContact O-N 2.89Å; S171-E174 WeakPolarHBondContact O-CB 3.25Å; S171-E174 PolarHBondContact O-N 2.71Å; S171-E174 WeakPolarHBondContact OG-CB 3.39Å; S171-E174 PolarHBondContact OG-N 3.18Å; S171-M175 PolarHBondContact O-N 3.24Å; S171-M175 VanDerWaalsContact O-N 3.11Å
172T80.3Confident77.4Confident52 Ų5266 Ų6632%0.31931%0.31SS..Hα-helixtrans-61-33.5177.3-410000111.3L147 L150 I164 E174 M175 L176L147-T172 HydrophobicContact CD1-CG2 4.39Å; L150-T172 HydrophobicContact CD2-CG2 3.77Å; I164-T172 VanDerWaalsContact CD1-N 3.28Å; T172-E174 PolarHBondContact O-N 3.12Å; T172-M175 HydrophobicContact CG2-CE 4.4Å; T172-M175 PolarHBondContact O-N 2.89Å; T172-L176 HydrophobicContact CG2-CD1 4.11Å; T172-L176 HydrophobicContact CG2-CG 4.49Å; T172-L176 WeakPolarHBondContact O-CB 3.13Å; T172-L176 WeakPolarHBondContact O-CG 3.39Å; T172-L176 PolarHBondContact O-N 2.81Å
173R80.1Confident78Confident205 Ų20565.9 Ų65.977%0.77431%0.31SS*.Hα-helixtrans-57.9-45.6171.6179.5-175.6-71.9-89.64.8111.8S171 L176 E177S171-R173 PolarHBondContact O-N 2.89Å; R173-L176 PolarHBondContact O-N 3.41Å; R173-E177 PolarHBondContact O-N 2.92Å
174E79.6Confident78.4Confident20 Ų2059.1 Ų59.19%0.09329%0.288CS..Hα-helixtrans-67.7-40.4-179.3-167.9-176-171.100112.1R120 P125 F169 Y170 S171 T172 L176 E177 A178R120-E174 IonicContact CZ-OE1 3.61Å; R120-E174 IonicContact NH1-OE1 3.93Å; R120-E174 IonicContact NH2-OE1 3.33Å; R120-E174 PolarHBondContact NH2-OE1 2.92Å; R120-E174 IonicContact NH2-OE2 3.52Å; P125-E174 HydrophobicContact CB-CG 3.91Å; P125-E174 WeakPolarHBondContact CB-OE1 3.4Å; P125-E174 HydrophobicContact CG-CG 3.88Å; P125-E174 VanDerWaalsContact CG-OE1 3.31Å; P125-E174 WeakPolarHBondContact CG-OE1 3.27Å; F169-E174 HydrophobicContact CD1-CB 4.46Å; F169-E174 HydrophobicContact CD1-CG 4.09Å; Y170-E174 WeakPolarHBondContact CA-OE2 3.41Å; Y170-E174 VanDerWaalsContact CB-OE2 3.32Å; Y170-E174 WeakPolarHBondContact CB-OE2 3.33Å; Y170-E174 WeakPolarHBondContact CD2-OE2 3.32Å; Y170-E174 PolarHBondContact N-OE2 2.84Å; S171-E174 WeakPolarHBondContact O-CB 3.25Å; S171-E174 PolarHBondContact O-N 2.71Å; S171-E174 WeakPolarHBondContact OG-CB 3.39Å; S171-E174 PolarHBondContact OG-N 3.18Å; T172-E174 PolarHBondContact O-N 3.12Å; E174-L176 VanDerWaalsContact C-N 3.33Å; E174-E177 PolarHBondContact O-N 3.39Å; E174-A178 PolarHBondContact O-N 2.88Å; E174-A178 VanDerWaalsContact O-N 3.09Å
175M90.5Very high79.1Confident0 Ų062.8 Ų62.80%031%0.307CS..Hα-helixtrans-62.8-39.7172.4-173.4-155.270.100111.7L128 L132 L136 L150 L162 I164 F169 S171 T172 A178 A179L128-M175 HydrophobicContact CD1-CG 3.61Å; L132-M175 HydrophobicContact CD2-CG 4.39Å; L132-M175 HydrophobicContact CD2-SD 4.07Å; L136-M175 HydrophobicContact CD1-CE 3.9Å; L136-M175 HydrophobicContact CD1-SD 4.2Å; L136-M175 HydrophobicContact CD2-CE 4.46Å; L150-M175 HydrophobicContact CD2-CE 4.12Å; L162-M175 HydrophobicContact CD1-SD 4.1Å; L162-M175 HydrophobicContact CD2-CE 4.27Å; L162-M175 HydrophobicContact CD2-SD 4.49Å; L162-M175 HydrophobicContact CG-SD 4.5Å; I164-M175 HydrophobicContact CG2-CB 4.41Å; I164-M175 HydrophobicContact CG2-CG 4.41Å; I164-M175 HydrophobicContact CG2-SD 3.52Å; I164-M175 VanDerWaalsContact CG2-SD 3.52Å; F169-M175 HydrophobicContact CB-CB 4.15Å; F169-M175 HydrophobicContact CD1-CB 4.19Å; F169-M175 HydrophobicContact CD2-CB 4.03Å; F169-M175 HydrophobicContact CD2-CG 3.94Å; F169-M175 HydrophobicContact CE2-CG 4.15Å; F169-M175 HydrophobicContact CG-CB 3.84Å; F169-M175 HydrophobicContact CG-CG 4.27Å; S171-M175 PolarHBondContact O-N 3.24Å; S171-M175 VanDerWaalsContact O-N 3.11Å; T172-M175 HydrophobicContact CG2-CE 4.4Å; T172-M175 PolarHBondContact O-N 2.89Å; M175-A178 CarbonylContact O-C 3.57Å; M175-A178 PolarHBondContact O-N 3.31Å; M175-A179 WeakPolarHBondContact O-CB 3.48Å; M175-A179 PolarHBondContact O-N 2.92Å; M175-A179 VanDerWaalsContact O-N 3.17Å
176L89.1Confident79.7Confident7 Ų760.5 Ų60.54%0.03730%0.297CS..Hα-helixtrans-74.6-32.9179.5-70.8171.2000112.9L147 L150 T172 R173 E174 A178 A179 R180 I183 L194L147-L176 HydrophobicContact CD1-CD1 3.38Å; L150-L176 HydrophobicContact CD2-CD1 4.31Å; L150-L176 HydrophobicContact CD2-CD2 4.23Å; T172-L176 HydrophobicContact CG2-CD1 4.11Å; T172-L176 HydrophobicContact CG2-CG 4.49Å; T172-L176 WeakPolarHBondContact O-CB 3.13Å; T172-L176 WeakPolarHBondContact O-CG 3.39Å; T172-L176 PolarHBondContact O-N 2.81Å; R173-L176 PolarHBondContact O-N 3.41Å; E174-L176 VanDerWaalsContact C-N 3.33Å; L176-A178 VanDerWaalsContact C-N 3.33Å; L176-A179 CarbonylContact O-C 3.59Å; L176-A179 VanDerWaalsContact O-C 3.31Å; L176-A179 WeakPolarHBondContact O-CA 3.4Å; L176-A179 WeakPolarHBondContact O-CB 3.39Å; L176-A179 PolarHBondContact O-N 3.01Å; L176-R180 PolarHBondContact O-N 2.7Å; L176-I183 HydrophobicContact CD2-CD1 3.65Å; L176-I183 HydrophobicContact CD2-CG2 4.47Å; L176-L194 HydrophobicContact CD1-CD1 4.2Å; L176-L194 HydrophobicContact CD1-CD2 4.07Å; L176-L194 HydrophobicContact CD2-CD1 4.14Å; L176-L194 HydrophobicContact CD2-CD2 4.41Å
177E82.6Confident80.1Confident106 Ų10661.8 Ų61.850%0.49530%0.299SS..Hα-helixtrans-64.2-41.5170.6-163.164.5-144.200110.3R173 E174 A179 R180R173-E177 PolarHBondContact O-N 2.92Å; E174-E177 PolarHBondContact O-N 3.39Å; E177-A179 PolarHBondContact O-N 3.27Å; E177-A179 VanDerWaalsContact O-N 3.13Å; E177-R180 WeakPolarHBondContact O-CB 3.49Å; E177-R180 PolarHBondContact O-N 2.75Å; E177-R180 WeakPolarHBondContact OE1-CD 3.21Å; E177-R180 IonicContact OE1-CZ 3.37Å; E177-R180 IonicContact OE1-NE 3.91Å; E177-R180 IonicContact OE1-NH1 3.24Å; E177-R180 PolarHBondContact OE1-NH1 2.85Å
178A84.1Confident80.2Confident30 Ų3060.9 Ų60.925%0.24831%0.306CS..THydrogen-bonded Turntrans-68-3.8169.800000114.3L128 F169 E174 M175 L176L128-A178 HydrophobicContact CB-CB 4.3Å; L128-A178 WeakPolarHBondContact CB-O 3.38Å; F169-A178 HydrophobicContact CE1-CB 3.61Å; F169-A178 HydrophobicContact CZ-CB 3.97Å; E174-A178 PolarHBondContact O-N 2.88Å; E174-A178 VanDerWaalsContact O-N 3.09Å; M175-A178 CarbonylContact O-C 3.57Å; M175-A178 PolarHBondContact O-N 3.31Å; L176-A178 VanDerWaalsContact C-N 3.33Å
179A86.4Confident80.5Confident0 Ų071.6 Ų71.60%034%0.335CS..THydrogen-bonded Turntrans-115.11.2175.700000113.6L128 M175 L176 E177 D181 M182 I183L128-A179 HydrophobicContact CD2-CB 3.74Å; M175-A179 WeakPolarHBondContact O-CB 3.48Å; M175-A179 PolarHBondContact O-N 2.92Å; M175-A179 VanDerWaalsContact O-N 3.17Å; L176-A179 CarbonylContact O-C 3.59Å; L176-A179 VanDerWaalsContact O-C 3.31Å; L176-A179 WeakPolarHBondContact O-CA 3.4Å; L176-A179 WeakPolarHBondContact O-CB 3.39Å; L176-A179 PolarHBondContact O-N 3.01Å; E177-A179 PolarHBondContact O-N 3.27Å; E177-A179 VanDerWaalsContact O-N 3.13Å; A179-D181 PolarHBondContact O-N 2.95Å; A179-M182 HydrophobicContact CB-CE 3.93Å; A179-M182 PolarHBondContact O-N 3.41Å; A179-I183 HydrophobicContact CB-CD1 3.68Å; A179-I183 HydrophobicContact CB-CG1 4Å; A179-I183 PolarHBondContact O-N 2.8Å
180R84.7Confident80Confident153 Ų15378.2 Ų78.258%0.57737%0.37SS*.THydrogen-bonded Turntrans-62.4-14.5-172179.6174.7169.7-168-3.6114.1L176 E177 M182 K197L176-R180 PolarHBondContact O-N 2.7Å; E177-R180 WeakPolarHBondContact O-CB 3.49Å; E177-R180 PolarHBondContact O-N 2.75Å; E177-R180 WeakPolarHBondContact OE1-CD 3.21Å; E177-R180 IonicContact OE1-CZ 3.37Å; E177-R180 IonicContact OE1-NE 3.91Å; E177-R180 IonicContact OE1-NH1 3.24Å; E177-R180 PolarHBondContact OE1-NH1 2.85Å; R180-M182 VanDerWaalsContact C-N 3.35Å; R180-K197 WeakPolarHBondContact O-CE 3.45Å; R180-K197 PolarHBondContact O-NZ 3.21Å
181D83.3Confident81Confident91 Ų9172.4 Ų72.449%0.48736%0.355SS..THydrogen-bonded Turntrans-75.9-20.1174.373.1-48.9000113.3R133 A179R133-D181 IonicContact CZ-OD1 3.83Å; R133-D181 IonicContact CZ-OD2 2.66Å; R133-D181 IonicContact NH1-OD1 3.76Å; R133-D181 PolarHBondContact NH1-OD1 2.68Å; R133-D181 IonicContact NH1-OD2 2.64Å; R133-D181 PolarHBondContact NH1-OD2 3.05Å; R133-D181 IonicContact NH2-OD1 3.58Å; R133-D181 IonicContact NH2-OD2 2.78Å; R133-D181 PolarHBondContact NH2-OD2 3.2Å; A179-D181 PolarHBondContact O-N 2.95Å
182M85.2Confident81.6Confident9 Ų971.5 Ų71.54%0.04435%0.349CS..THydrogen-bonded Turntrans-119.5-30.3174.687.5-151.681.100114L128 R133 R137 A179 R180 K197L128-M182 HydrophobicContact CD2-CE 3.85Å; R133-M182 HydrophobicContact CG-CE 3.94Å; R133-M182 HydrophobicContact CG-SD 4.16Å; R137-M182 HydrophobicContact CG-CG 4.32Å; R137-M182 HydrophobicContact CG-SD 3.81Å; R137-M182 PolarHBondContact NH1-SD 3.06Å; A179-M182 HydrophobicContact CB-CE 3.93Å; A179-M182 PolarHBondContact O-N 3.41Å; R180-M182 VanDerWaalsContact C-N 3.35Å; M182-K197 PolarHBondContact O-N 2.93Å
183I89.8Confident82Confident5 Ų570.6 Ų70.63%0.02634%0.343CS..EExtended strand (participates in β ladder)trans-96121-176.9-52.6-174.6000109.1L136 L140 L176 A179 L194 C195L136-I183 HydrophobicContact CB-CD1 4.45Å; L136-I183 HydrophobicContact CD1-CD1 4.49Å; L140-I183 HydrophobicContact CD1-CB 4.37Å; L140-I183 HydrophobicContact CD1-CD1 3.78Å; L140-I183 HydrophobicContact CD1-CG1 3.7Å; L140-I183 HydrophobicContact CD1-CG2 3.96Å; L176-I183 HydrophobicContact CD2-CD1 3.65Å; L176-I183 HydrophobicContact CD2-CG2 4.47Å; A179-I183 HydrophobicContact CB-CD1 3.68Å; A179-I183 HydrophobicContact CB-CG1 4Å; A179-I183 PolarHBondContact O-N 2.8Å; I183-L194 HydrophobicContact CG2-CB 3.99Å; I183-L194 HydrophobicContact CG2-CD2 4.09Å; I183-C195 WeakPolarHBondContact CA-O 3.3Å
184G86.3Confident82.6Confident12 Ų1260.8 Ų60.812%0.12431%0.306CS..EExtended strand (participates in β ladder)trans-87.1142.2163.300000110.2L194 C195G184-L194 WeakPolarHBondContact O-CA 3.49Å; G184-C195 PolarHBondContact N-O 3.19Å; G184-C195 PolarHBondContact O-N 2.84Å; G184-C195 PolarHBondContact O-SG 2.88Å; G184-C195 VanDerWaalsContact O-SG 3.35Å
185I88.8Confident82.9Confident92 Ų9260 Ų6047%0.47230%0.302SS..EExtended strand (participates in β ladder)trans-113.1106.8172.3-48.8-173.3000107.9V193 L194I185-V193 CarbonylContact C-O 3.6Å; I185-V193 WeakPolarHBondContact CA-O 3.28Å; I185-L194 HydrophobicContact CB-CD2 4.43Å; I185-L194 HydrophobicContact CD1-CD2 4.14Å; I185-L194 HydrophobicContact CG1-CD2 3.77Å; I185-L194 HydrophobicContact CG2-CD2 4.24Å
186Q81.4Confident82.8Confident79 Ų7961 Ų6137%0.36931%0.307SS..EExtended strand (participates in β ladder)trans-92.6137.6174.7-62.8-178.417.200109.7S192 V193 C195Q186-S192 CarbonylContact O-C 3.49Å; Q186-S192 WeakPolarHBondContact O-CA 3.34Å; Q186-V193 PolarHBondContact N-O 3.13Å; Q186-V193 PolarHBondContact O-N 2.91Å; Q186-C195 PolarHBondContact NE2-SG 3.24Å
187Q79.4Confident82.3Confident147 Ų14764 Ų6469%0.68732%0.32SS*.EExtended strand (participates in β ladder)trans-98.6101.9179.7-164.966.71200110.8S192Q187-S192 PolarHBondContact OE1-OG 3.48Å
188G68.4Low81.6Confident35 Ų3563.7 Ų63.736%0.36133%0.326SS..EExtended strand (participates in β ladder)trans-90.5166.4177.200000113.3L190 G191G188-L190 PolarHBondContact O-N 3.29Å; G188-G191 PolarHBondContact N-O 3.01Å; G188-G191 PolarHBondContact O-N 3.43Å
189R68.2Low80.1Confident261 Ų26166.1 Ų66.199%0.98533%0.332SS*.THydrogen-bonded Turntrans-58.2-17.2173.9-66.3-174.4-178.4-177.10.5114.1
190L61.2Low78.5Confident140 Ų14066.9 Ų66.973%0.73334%0.339SS*.THydrogen-bonded Turntrans-109.915.8179.1-54.4177.2000112.3R146 G188R146-L190 PolarHBondContact NH2-O 3.03Å; G188-L190 PolarHBondContact O-N 3.29Å
191G78.1Confident77Confident27 Ų2765.4 Ų65.428%0.27834%0.338SS..EExtended strand (participates in β ladder)trans105.7-174.5-178.700000114.7G188G188-G191 PolarHBondContact N-O 3.01Å; G188-G191 PolarHBondContact O-N 3.43Å
192S86.6Confident75.5Confident31 Ų3166 Ų6622%0.21734%0.342CS..EExtended strand (participates in β ladder)trans-73.8135.8-174-45.30000112.8L147 Q186 Q187L147-S192 PolarHBondContact N-O 3.3Å; Q186-S192 CarbonylContact O-C 3.49Å; Q186-S192 WeakPolarHBondContact O-CA 3.34Å; Q187-S192 PolarHBondContact OE1-OG 3.48Å
193V88.6Confident73.5Confident32 Ų3272.7 Ų72.719%0.19437%0.367CS..EExtended strand (participates in β ladder)trans-120.2132.5178.4-168.20000109.7P144 R146 I185 Q186P144-V193 HydrophobicContact CB-CG1 3.66Å; R146-V193 HydrophobicContact CG-CG2 4.3Å; I185-V193 CarbonylContact C-O 3.6Å; I185-V193 WeakPolarHBondContact CA-O 3.28Å; Q186-V193 PolarHBondContact N-O 3.13Å; Q186-V193 PolarHBondContact O-N 2.91Å
194L91.5Very high71.5Confident0 Ų078.8 Ų78.80%040%0.395CS..EExtended strand (participates in β ladder)trans-95.2135.4178-51.2176.9000109L140 P144 L145 L147 L150 L176 I183 G184 I185L140-L194 HydrophobicContact CD2-CB 3.87Å; P144-L194 CarbonylContact C-O 3.5Å; P144-L194 VanDerWaalsContact CA-O 3.32Å; P144-L194 WeakPolarHBondContact CA-O 3.36Å; L145-L194 PolarHBondContact N-O 2.99Å; L145-L194 WeakPolarHBondContact O-CA 3.49Å; L145-L194 VanDerWaalsContact O-CB 3.3Å; L145-L194 WeakPolarHBondContact O-CB 3.46Å; L145-L194 PolarHBondContact O-N 3.47Å; L147-L194 HydrophobicContact CB-CG 4.44Å; L147-L194 HydrophobicContact CD1-CD1 4.08Å; L147-L194 HydrophobicContact CD1-CD2 4.36Å; L150-L194 HydrophobicContact CB-CD1 4.08Å; L150-L194 HydrophobicContact CD1-CD1 3.93Å; L150-L194 HydrophobicContact CD2-CD1 3.76Å; L150-L194 HydrophobicContact CG-CD1 4.12Å; L176-L194 HydrophobicContact CD1-CD1 4.2Å; L176-L194 HydrophobicContact CD1-CD2 4.07Å; L176-L194 HydrophobicContact CD2-CD1 4.14Å; L176-L194 HydrophobicContact CD2-CD2 4.41Å; I183-L194 HydrophobicContact CG2-CB 3.99Å; I183-L194 HydrophobicContact CG2-CD2 4.09Å; G184-L194 WeakPolarHBondContact O-CA 3.49Å; I185-L194 HydrophobicContact CB-CD2 4.43Å; I185-L194 HydrophobicContact CD1-CD2 4.14Å; I185-L194 HydrophobicContact CG1-CD2 3.77Å; I185-L194 HydrophobicContact CG2-CD2 4.24Å
195C86.5Confident69.5Low2 Ų287.6 Ų87.61%0.01443%0.425CS..EExtended strand (participates in β ladder)trans-145161.9-17954.80000110.1P144 I183 G184 Q186P144-C195 HydrophobicContact CB-CB 4.44Å; I183-C195 WeakPolarHBondContact CA-O 3.3Å; G184-C195 PolarHBondContact N-O 3.19Å; G184-C195 PolarHBondContact O-N 2.84Å; G184-C195 PolarHBondContact O-SG 2.88Å; G184-C195 VanDerWaalsContact O-SG 3.35Å; Q186-C195 PolarHBondContact NE2-SG 3.24Å
196L89.6Confident67.5Low21 Ų2187.3 Ų87.311%0.1143%0.431CS..EExtended strand (participates in β ladder)trans-74.6135.3167.4-65.4179.2000109.2R137 L140 T198 E199 A200R137-L196 HydrophobicContact CG-CD2 4.23Å; L140-L196 HydrophobicContact CB-CD2 3.81Å; L140-L196 HydrophobicContact CB-CG 3.79Å; L140-L196 HydrophobicContact CD1-CD2 4.24Å; L196-T198 PolarHBondContact O-N 3.3Å; L196-E199 HydrophobicContact CB-CG 4.32Å; L196-E199 WeakPolarHBondContact O-CB 3.26Å; L196-E199 PolarHBondContact O-N 2.96Å; L196-A200 PolarHBondContact O-N 3.35Å
197K78.4Confident65.7Low70 Ų7090 Ų9030%0.30444%0.444SS..Hα-helixtrans-56.2-36.5-178.2-83-176.1154.8-178.90113.7R180 M182 E199 A200 E201R180-K197 WeakPolarHBondContact O-CE 3.45Å; R180-K197 PolarHBondContact O-NZ 3.21Å; M182-K197 PolarHBondContact O-N 2.93Å; K197-E199 PolarHBondContact O-N 3.46Å; K197-E199 VanDerWaalsContact O-N 3.09Å; K197-A200 PolarHBondContact O-N 2.89Å; K197-E201 WeakPolarHBondContact O-CG 3.46Å; K197-E201 PolarHBondContact O-N 3.43Å
198T66.5Low64.1Low100 Ų10090 Ų9061%0.61345%0.448SS*.Hα-helixtrans-59.4-16.417446.50000114.4L196 N202L196-T198 PolarHBondContact O-N 3.3Å; T198-N202 PolarHBondContact O-ND2 2.81Å
199E53.8Low62.9Low82 Ų8294.2 Ų94.238%0.38347%0.467SS..Hα-helixtrans-98.9-40.3174.9-59.517215300111L196 K197 E201 N202 Y203L196-E199 HydrophobicContact CB-CG 4.32Å; L196-E199 WeakPolarHBondContact O-CB 3.26Å; L196-E199 PolarHBondContact O-N 2.96Å; K197-E199 PolarHBondContact O-N 3.46Å; K197-E199 VanDerWaalsContact O-N 3.09Å; E199-E201 PolarHBondContact O-N 2.73Å; E199-N202 PolarHBondContact O-N 3.1Å; E199-Y203 PolarHBondContact O-N 3.16Å
200A51.4Low61.6Low16 Ų1690.2 Ų90.213%0.13246%0.462CS..Hα-helixtrans-59.1-47.8178.200000112.5L196 K197 N202 Y203 E204L196-A200 PolarHBondContact O-N 3.35Å; K197-A200 PolarHBondContact O-N 2.89Å; A200-N202 PolarHBondContact O-N 3.46Å; A200-Y203 PolarHBondContact O-N 2.9Å; A200-E204 PolarHBondContact O-N 3.2Å
201E54.6Low60.3Low122 Ų12294.6 Ų94.657%0.5747%0.469SS*.Hα-helixtrans-64-25.5-177.8-69.4164.2-16100112.6K197 E199 R205K197-E201 WeakPolarHBondContact O-CG 3.46Å; K197-E201 PolarHBondContact O-N 3.43Å; E199-E201 PolarHBondContact O-N 2.73Å; E201-R205 WeakPolarHBondContact O-CB 3.3Å
202N51.4Low58.3Low104 Ų10499.5 Ų99.556%0.55650%0.495SS*.Hα-helixtrans-80.3-25.3175.3-78.8-54.1000113.2T198 E199 A200 S206T198-N202 PolarHBondContact O-ND2 2.81Å; E199-N202 PolarHBondContact O-N 3.1Å; A200-N202 PolarHBondContact O-N 3.46Å; N202-S206 PolarHBondContact O-N 2.8Å; N202-S206 PolarHBondContact O-OG 3.26Å
203Y42.3Very low55.8Low148 Ų148107.3 Ų107.358%0.5853%0.526SS*.Hα-helixtrans-80.4-43.7-178.8-154.2-103.3000112.4E199 A200 R205 S206 Q207E199-Y203 PolarHBondContact O-N 3.16Å; A200-Y203 PolarHBondContact O-N 2.9Å; Y203-R205 VanDerWaalsContact C-N 3.34Å; Y203-R205 PolarHBondContact O-N 2.61Å; Y203-S206 WeakPolarHBondContact O-CB 3.43Å; Y203-S206 PolarHBondContact O-N 2.89Å; Y203-S206 VanDerWaalsContact O-N 3.08Å; Y203-Q207 VanDerWaalsContact CE1-NE2 3.3Å; Y203-Q207 PolarHBondContact O-N 2.88Å
204E48Very low53Low133 Ų133114.8 Ų114.862%0.62156%0.561SS**Hα-helixtrans-65.7-37.5176.6-65.4-172.4168.500112A200 S206 Q207 N208A200-E204 PolarHBondContact O-N 3.2Å; E204-S206 PolarHBondContact O-N 2.99Å; E204-Q207 PolarHBondContact O-N 3.33Å; E204-N208 PolarHBondContact O-N 3.01Å
205R44.1Very low50.4Low197 Ų197121.7 Ų121.774%0.74360%0.596SS**Hα-helixtrans-63.6-24.9173-158173.8-161.61625.7113E201 Y203E201-R205 WeakPolarHBondContact O-CB 3.3Å; Y203-R205 VanDerWaalsContact C-N 3.34Å; Y203-R205 PolarHBondContact O-N 2.61Å
206S47Very low47.8Very low86 Ų86127.3 Ų127.360%0.60163%0.633SS**Hα-helixtrans-81.9-28177.4-61.10000113.5N202 Y203 E204N202-S206 PolarHBondContact O-N 2.8Å; N202-S206 PolarHBondContact O-OG 3.26Å; Y203-S206 WeakPolarHBondContact O-CB 3.43Å; Y203-S206 PolarHBondContact O-N 2.89Å; Y203-S206 VanDerWaalsContact O-N 3.08Å; E204-S206 PolarHBondContact O-N 2.99Å
207Q45.3Very low45Very low136 Ų136131.7 Ų131.764%0.63667%0.665SS**Hα-helixtrans-83.2-28.2179.3-65.7-163.40.300113.6Y203 E204 V209Y203-Q207 VanDerWaalsContact CE1-NE2 3.3Å; Y203-Q207 PolarHBondContact O-N 2.88Å; E204-Q207 PolarHBondContact O-N 3.33Å; Q207-V209 VanDerWaalsContact C-N 3.25Å; Q207-V209 PolarHBondContact O-N 3.39Å
208N44.3Very low42.9Very low146 Ų146134.4 Ų134.478%0.78169%0.687SS**THydrogen-bonded Turntrans-773.2-177.3-83.5-40.3000115.8E204E204-N208 PolarHBondContact O-N 3.01Å
209V44.2Very low41.2Very low125 Ų125135.2 Ų135.276%0.75869%0.694SS**THydrogen-bonded Turntrans-89.8-14.7-178.3-179.20000112.9Q207Q207-V209 VanDerWaalsContact C-N 3.25Å; Q207-V209 PolarHBondContact O-N 3.39Å
210M40Very low40Very low176 Ų176138.9 Ų138.987%0.86771%0.713SS**SBendtrans-119.750.7-166.1-149.7171.9-165.800116.1
211R33.6Very low39.1Very low233 Ų233148.7 Ų148.788%0.87975%0.747SS**  trans-163.4119.9149.7-108.3161.1-162-170.64.4111.7
212P36.4Very low38.1Very low130 Ų130148.5 Ų148.584%0.84476%0.756SS**  trans-77.1160.3176.631.8-34.8000112.7
213F34.4Very low36.9Very low195 Ų195153.1 Ų153.186%0.85577%0.772SS**  trans-68.9145.9-177.2-74.2-108.8000113.8
214M30.4Very low36.3Very low189 Ų189150.9 Ų150.993%0.93178%0.777SS**  trans-140.2151.3135.6-83.5-145156.700110.5
215I37.3Very low35.5Very low144 Ų144150.8 Ų150.874%0.73879%0.786SS**  trans-94.2138.5-159.5-60165.8000111.3S217I215-S217 PolarHBondContact O-N 2.77Å
216P31.3Very low35.6Very low121 Ų121146.6 Ų146.679%0.78679%0.785SS**  trans-77.9113.2168.7-5.322.7000111
217S29.8Very low34.8Very low112 Ų112149.8 Ų149.878%0.78379%0.793SS**  trans-78.9139.1173.6-65.10000112.4I215I215-S217 PolarHBondContact O-N 2.77Å
218V34.9Very low33.9Very low127 Ų127153.9 Ų153.977%0.7780%0.803SS**  trans-70.9137.5-178.3178.80000112.6
219P30.4Very low33.2Very low118 Ų118153.5 Ų153.577%0.76681%0.806SS**  trans-107.8112.5157.531.9-20.5000111.6
220M29.1Very low32.3Very low159 Ų159150.9 Ų150.978%0.78380%0.804SS**PPolyproline II helixtrans-86.8168.6165.8-106.5-66.6141.600111.7
221R31.8Very low32.9Very low222 Ų222148.4 Ų148.484%0.83880%0.801SS**PPolyproline II helixtrans-62.9145.3-167.9-58.9174.2-177168.50.2113.9
222P34.5Very low32.7Very low117 Ų117145 Ų14576%0.7680%0.799SS**PPolyproline II helixtrans-89.9140.8173.534.8-33.2000113.3
223F26.7Very low32.3Very low202 Ų202147.9 Ų147.989%0.88680%0.798SS**  trans-153.1133155.2-98.2-73.6000111.2
224S28.9Very low33.2Very low100 Ų100143.6 Ų143.670%0.69979%0.79SS**  trans6396.7153.7-53.40000121.8
225T30.4Very low34.2Very low132 Ų132140.1 Ų140.181%0.8178%0.781SS**  16.9161.4120.766.60000121.2
226P46.8Very low33.9Very low109 Ų109138.3 Ų138.371%0.70878%0.781SS**  cis-147.9-158.523.132.1-4.5000116.6
227I29.5Very low33.7Very low153 Ų153138 Ų13879%0.78578%0.777SS**  trans81.2128.5163.6-53.5170.3000115.6
228R28.3Very low33.6Very low222 Ų222137.6 Ų137.684%0.83877%0.774SS**  cis112.599.97.2-176.2-148.7173.5-172.6-2.2114.9
229T29.5Very low33.3Very low138 Ų138135.4 Ų135.485%0.84777%0.765SS**  trans-173.4151.6132.323.10000112.8
230G25.3Very low33.3Very low70 Ų70138.8 Ų138.872%0.72277%0.77SS**  trans-100.8-152167.500000112.1
231P51.4Low33.4Very low123 Ų123140.6 Ų140.680%0.79977%0.773SS**  cis-127.5-175.916.233.4-10.9000114.3
232I30.1Very low34.6Very low162 Ų162135.3 Ų135.383%0.83177%0.768SS**  -172.1165.592.8-86.4168.1000110.5
233K26.6Very low34.2Very low191 Ų191137.2 Ų137.283%0.8377%0.77SS**  trans-144.7-175.5-176-127.7-170.1174.4178.70108.3
234P54.5Low34.1Very low104 Ų104132.4 Ų132.468%0.67576%0.76SS**  cis-128.7-150.6-9.445.1-26.4000110.9
235P51.2Low34.1Very low116 Ų116133.9 Ų133.975%0.75376%0.76SS**  cis-116.4-147.4-16.944.6-28.7000109.8
236S31.4Very low34.2Very low106 Ų106134.2 Ų134.274%0.74176%0.757SS**  cis-149.1-170.1-37.932.90000105.5
237V26.5Very low33.7Very low116 Ų116133.3 Ų133.370%0.70375%0.753SS**  cis-143.1128.511.31790000105.1
238S27.2Very low33.9Very low102 Ų102131.9 Ų131.971%0.71375%0.747SS**  51.7145.696136.80000116.8
239S29.5Very low34.2Very low82 Ų82127.6 Ų127.657%0.57374%0.74SS**  cis174.8152.8-20.149.50000109.4
240H29.1Very low34Very low188 Ų188129.7 Ų129.787%0.8774%0.737SS**  trans-171.5173.1131.1-101.2-64.2000113.4
241K33.2Very low34.3Very low198 Ų198132.4 Ų132.486%0.86174%0.739SS**  trans-112.2170.6-151.2-90.1-175.3174.7-177.10115
242P57Low34.2Very low111 Ų111132 Ų13272%0.72174%0.737SS**  trans-105.8-176.4-173.642.2-36000114.2
243I25.5Very low34Very low156 Ų156130.2 Ų130.280%0.873%0.733SS**  trans179.8125.2133.9-94.4157000114.4
244C24.9Very low33.9Very low101 Ų101127.1 Ų127.168%0.68273%0.731SS**  trans46.1131.3141.8-55.10000127.7
245N29.1Very low32.6Very low132 Ų132127.6 Ų127.671%0.70673%0.732SS**  104127122.3-77.813.5000125.1
246N31.3Very low31.6Very low139 Ų139131.6 Ų131.674%0.74374%0.737SS**  trans67.1150.3139.2-64.214.1000121.2
247S37.4Very low31.4Very low90 Ų90131.9 Ų131.963%0.62974%0.739SS**  cis-161.4170.6-19.149.90000108.9
248D31.7Very low32.5Very low123 Ų123131.8 Ų131.866%0.65874%0.741SS**  177.3144.478.7-104.3-6.6000114.2
249I34.6Very low32.4Very low132 Ų132133.2 Ų133.268%0.67775%0.745SS**  trans62.8136.2133.5-61.3173.3000119.2
250K26.7Very low32.3Very low182 Ų182136.6 Ų136.679%0.79176%0.756SS**  cis-152.9134.712.1-125.4154.2-169.2172.50106.8
251V32.1Very low32.2Very low127 Ų127133.1 Ų133.177%0.7775%0.748SS**  67.4131.651.3-177.40000113.5
252P48.7Very low31.8Very low114 Ų114130.1 Ų130.174%0.7474%0.741SS**  cis-104.2-144.61.321.62.9000111.7
253T25.9Very low30.3Very low124 Ų124133 Ų13376%0.76175%0.745SS**  cis-157.9176.48-30.90000110.5
254T25.2Very low30.3Very low126 Ų126130.9 Ų130.977%0.77374%0.744SS**  trans-148.1165.7-173.555.30000115.6
255T26.2Very low31.4Very low114 Ų114131.3 Ų131.370%0.69975%0.745SS**  137.4109.8123-480000118.3
256K29.8Very low31.2Very low201 Ų201132.7 Ų132.787%0.87475%0.752SS**  trans46.5150.1141.8-56.3176.3-178.3178.70124.7
257S27Very low30.8Very low112 Ų112132.1 Ų132.178%0.78375%0.754SS**  trans-74.6-171.5171.2-24.90000114.4
258P49.9Very low31.5Very low114 Ų114133.3 Ų133.374%0.7476%0.76SS**  cis-143.7174.5-142.9-23.8000118.9
259V24.8Very low32.2Very low132 Ų132132.8 Ų132.880%0.876%0.763SS**  trans67.1142.2139.4161.50000123.9
260L27.6Very low31.8Very low153 Ų153134.7 Ų134.780%0.80177%0.769SS**  trans97.2103.3155-123.983.7000123.1
261V26.6Very low31.7Very low115 Ų115132.9 Ų132.970%0.69777%0.773SS**  61.8128.1122.7174.30000124.7
262N24.8Very low31.3Very low135 Ų135132.1 Ų132.172%0.72277%0.769SS**  trans99.4136.9142.3-93.7-4.2000125.5
263Q27.3Very low30.3Very low171 Ų171132.9 Ų132.980%0.79977%0.766SS**  trans84.6121.8143.4-74.2169.228.600122.6
264S25.3Very low30.3Very low112 Ų112135.2 Ų135.278%0.78377%0.768SS**  trans-90.3-166.5160.1-25.60000110.2
265P46.6Very low30.5Very low109 Ų109133.7 Ų133.771%0.70877%0.768SS**  cis-131.4-172.5-15.138.5-20.3000113.4
266L25.1Very low30.6Very low162 Ų162134.5 Ų134.585%0.84877%0.769SS**  168165.3129.6-89.5160.2000114.1
267T24.3Very low30.8Very low126 Ų126132.5 Ų132.577%0.77376%0.762SS**  trans-146.4-175.4-175.454.70000110.5
268P52Low30.9Very low116 Ų116133.1 Ų133.175%0.75376%0.757SS**  cis-103.6-90.8-46.8183.6000111.4
269P46.5Very low29.9Very low112 Ų112135 Ų13573%0.72776%0.758SS**  cis-110.6-122-8.441.8-26.5000113.9
270E25.5Very low30Very low172 Ų172134 Ų13480%0.80476%0.756SS**  trans-135.9164-162.6-52.9155.5113.100113.8
271T24.6Very low30.7Very low143 Ų143133.3 Ų133.388%0.87776%0.761SS**  trans176.4178.8135.824.40000112.8
272T23.5Very low30.7Very low112 Ų112130.9 Ų130.969%0.68776%0.759SS**  -153.4166-98-37.50000111
273L27.6Very low30.8Very low129 Ų129129.3 Ų129.368%0.67576%0.759SS**  trans78.1124.6160.6-53.4-178.1000119
274E25.7Very low30.8Very low173 Ų173129.1 Ų129.181%0.80876%0.758SS**  88.5149.998-74174169.300114.5
275A30.1Very low31Very low94 Ų94128.7 Ų128.778%0.77775%0.754SS**  cis-161-165.3-1700000106.9
276D27.7Very low30.5Very low132 Ų132128.5 Ų128.571%0.70675%0.754SS**  cis-164.4-176.84.2-160.2-5.2000109.7
277H35.4Very low30.6Very low158 Ų158129.1 Ų129.173%0.73175%0.752SS**  trans74148.8161.4-63-51.7000121.3
278D27.9Very low30.7Very low125 Ų125131 Ų13167%0.66876%0.756SS**  cis-168.6171.2-27-162.84.4000110.5
279M28.7Very low29.5Very low155 Ų155132.6 Ų132.676%0.76476%0.758SS**  trans84.5127163-66-72.6166.700121
280S26.5Very low29.1Very low111 Ų111134.6 Ų134.678%0.77676%0.758SS**  trans-147.3168.2165.7-64.70000108.1
281P43.6Very low29.1Very low137 Ų137133.9 Ų133.989%0.8976%0.759SS**  -156.9167.994.839.6-20.8000117.2
282G25.7Very low29.4Very low65 Ų65132 Ų13267%0.6775%0.752SS**  trans121.271.9158.700000116
283S27.9Very low30.2Very low102 Ų102131.5 Ų131.571%0.71375%0.75SS**  66.5127.191.470.60000115.8
284H26.4Very low30.2Very low167 Ų167132.3 Ų132.377%0.77376%0.756SS**  cis-158.6126-11.9-98-56.5000106.4
285S29.4Very low30.2Very low102 Ų102129.9 Ų129.971%0.71376%0.757SS**  72.7144.694.9-520000115.1
286P37.2Very low30.4Very low106 Ų106134.6 Ų134.669%0.68876%0.763SS**  cis-1241638.142.4-29.3000116.1
287E25.6Very low30.4Very low174 Ų174137.6 Ų137.681%0.81377%0.773SS**  trans41.4129.1137.8-69.7154.2-15700120.8
288L27.1Very low30.1Very low166 Ų166134.5 Ų134.587%0.86978%0.775SS**  cis-144.5159.85-96.9162000109.7
289L27.3Very low30.2Very low149 Ų149134.4 Ų134.478%0.7878%0.781SS**  trans-127.5166.9179.6-110.6174.5000113.1
290E37.6Very low30.3Very low155 Ų155132 Ų13272%0.72478%0.779SS**  trans-59.1153-175.5-57.3152.3131.300113.9
291N25Very low30.8Very low156 Ų156134.7 Ų134.783%0.83478%0.779SS**  -178.3155.5109.3-95.7-69.7000113
292S31.3Very low30.5Very low103 Ų103134.1 Ų134.172%0.7277%0.768SS**  trans-84.9175.216852.10000110.5
293P40.6Very low31Very low102 Ų102133.2 Ų133.266%0.66276%0.759SS**  cis-140.6-173.319.144.3-24.8000117.7
294D26.8Very low31.4Very low147 Ų147131.5 Ų131.579%0.78675%0.751SS**  trans48.4104.2155.9-59-14.7000120.5
295S25.8Very low32Very low121 Ų121128.1 Ų128.185%0.84674%0.738SS**  trans-160.1156.8131-83.20000112.6
296E35.9Very low32.5Very low193 Ų193130.5 Ų130.590%0.90274%0.736SS**  trans-53.1147.1-172.1-59.1158.5117.800115.2
297Q26.6Very low32.6Very low196 Ų196131 Ų13192%0.91673%0.729SS**  trans-122.5148161.9-71.6-168.2-1000110.7
298A28.4Very low33.4Very low93 Ų93129.1 Ų129.177%0.76972%0.72SS**PPolyproline II helixtrans-78.3160.5-15900000114.8
299P31Very low34.2Very low122 Ų122125.6 Ų125.679%0.79270%0.702SS**PPolyproline II helixtrans-61.7142.8175.5-2133.5000112.7E301P299-E301 PolarHBondContact O-N 3.09Å
300C30.8Very low35.1Very low106 Ų106121.3 Ų121.372%0.71668%0.682SS**PPolyproline II helixtrans-72.4118.8178.9-167.40000111.5D302 G303C300-D302 PolarHBondContact O-N 2.91Å; C300-D302 VanDerWaalsContact O-N 3.16Å; C300-G303 PolarHBondContact O-N 2.86Å
301E36.8Very low35.4Very low167 Ų167117.9 Ų117.978%0.7867%0.668SS**THydrogen-bonded Turntrans-62-24.4-173.6-60.4-173.7132.600113.8P299 G303 A304 L305P299-E301 PolarHBondContact O-N 3.09Å; E301-G303 VanDerWaalsContact C-N 3.25Å; E301-G303 PolarHBondContact O-N 3.28Å; E301-A304 WeakPolarHBondContact O-CB 3.42Å; E301-A304 PolarHBondContact O-N 2.99Å; E301-L305 PolarHBondContact O-N 3.04Å
302D36.7Very low36.2Very low124 Ų124116.4 Ų116.466%0.66366%0.655SS**Hα-helixtrans-59.2-35.5-179.3-139.79.1000112.2C300 A304 L305 F306C300-D302 PolarHBondContact O-N 2.91Å; C300-D302 VanDerWaalsContact O-N 3.16Å; D302-A304 VanDerWaalsContact C-N 3.32Å; D302-A304 PolarHBondContact O-N 3.25Å; D302-L305 PolarHBondContact O-N 2.83Å; D302-F306 PolarHBondContact O-N 3.32Å; D302-F306 VanDerWaalsContact O-N 3.16Å
303G36.4Very low36.8Very low47 Ų47116.9 Ų116.949%0.48565%0.648SS.*Hα-helixtrans-68-28.9176.100000113.8C300 E301 H307C300-G303 PolarHBondContact O-N 2.86Å; E301-G303 VanDerWaalsContact C-N 3.25Å; E301-G303 PolarHBondContact O-N 3.28Å; G303-H307 WeakPolarHBondContact O-CB 3.44Å; G303-H307 PolarHBondContact O-N 3.09Å; G303-H307 VanDerWaalsContact O-N 3.08Å
304A36.7Very low36.8Very low65 Ų65116.1 Ų116.154%0.53764%0.636SS.*Hα-helixtrans-74.5-39.8178.600000111.7E301 D302 H307 Q308E301-A304 WeakPolarHBondContact O-CB 3.42Å; E301-A304 PolarHBondContact O-N 2.99Å; D302-A304 VanDerWaalsContact C-N 3.32Å; D302-A304 PolarHBondContact O-N 3.25Å; A304-H307 PolarHBondContact O-N 3.03Å; A304-Q308 WeakPolarHBondContact O-CB 3.36Å; A304-Q308 PolarHBondContact O-N 3.48Å
305L38.5Very low37.7Very low97 Ų97115.8 Ų115.851%0.50863%0.63SS.*Hα-helixtrans-66.1-37.3174.3-75.4169.5000112E301 D302 N309E301-L305 PolarHBondContact O-N 3.04Å; D302-L305 PolarHBondContact O-N 2.83Å; L305-N309 PolarHBondContact O-N 3.17Å; L305-N309 PolarHBondContact O-ND2 3.26Å
306F39.9Very low38.5Very low152 Ų152114.9 Ų114.967%0.66761%0.612SS**Hα-helixtrans-60-51.5170.3179.4-103.2000111.3D302 Q308 N309 V310D302-F306 PolarHBondContact O-N 3.32Å; D302-F306 VanDerWaalsContact O-N 3.16Å; F306-Q308 PolarHBondContact O-N 2.79Å; F306-N309 PolarHBondContact O-N 3.33Å; F306-V310 HydrophobicContact CD1-CG2 4.25Å; F306-V310 HydrophobicContact CE1-CG2 3.88Å; F306-V310 HydrophobicContact CE2-CG2 4.16Å; F306-V310 HydrophobicContact CZ-CG2 3.83Å; F306-V310 WeakPolarHBondContact O-CG2 3.44Å; F306-V310 PolarHBondContact O-N 3.08Å
307H40.1Very low38.6Very low116 Ų116110.4 Ų110.454%0.53759%0.594SS.*Hα-helixtrans-61.1-40.7-178.1-16568.8000113G303 A304 N309 V310 L311G303-H307 WeakPolarHBondContact O-CB 3.44Å; G303-H307 PolarHBondContact O-N 3.09Å; G303-H307 VanDerWaalsContact O-N 3.08Å; A304-H307 PolarHBondContact O-N 3.03Å; H307-N309 PolarHBondContact O-N 2.91Å; H307-V310 PolarHBondContact O-N 3.14Å; H307-L311 WeakPolarHBondContact O-CG 3.39Å; H307-L311 PolarHBondContact O-N 3.24Å
308Q41.9Very low39.2Very low134 Ų134106.8 Ų106.863%0.62658%0.577SS**Hα-helixtrans-66.1-35.4178.1-169.3172.144.300112.8A304 F306 K312A304-Q308 WeakPolarHBondContact O-CB 3.36Å; A304-Q308 PolarHBondContact O-N 3.48Å; F306-Q308 PolarHBondContact O-N 2.79Å; Q308-K312 PolarHBondContact O-N 3.27Å
309N44.9Very low39.8Very low93 Ų93107.7 Ų107.750%0.49757%0.565SS.*Hα-helixtrans-74.1-34.3174.8-74.8-62.8000112.5L305 F306 H307 K312 L313L305-N309 PolarHBondContact O-N 3.17Å; L305-N309 PolarHBondContact O-ND2 3.26Å; F306-N309 PolarHBondContact O-N 3.33Å; H307-N309 PolarHBondContact O-N 2.91Å; N309-K312 PolarHBondContact O-N 3.42Å; N309-L313 WeakPolarHBondContact O-CG 3.38Å; N309-L313 PolarHBondContact O-N 3.37Å
310V44.4Very low40.2Very low59 Ų59106.9 Ų106.936%0.35855%0.55SS.*Hα-helixtrans-63.4-48.5173.3169.80000111F306 H307 K312 L313 E314F306-V310 HydrophobicContact CD1-CG2 4.25Å; F306-V310 HydrophobicContact CE1-CG2 3.88Å; F306-V310 HydrophobicContact CE2-CG2 4.16Å; F306-V310 HydrophobicContact CZ-CG2 3.83Å; F306-V310 WeakPolarHBondContact O-CG2 3.44Å; F306-V310 PolarHBondContact O-N 3.08Å; H307-V310 PolarHBondContact O-N 3.14Å; V310-K312 VanDerWaalsContact C-N 3.3Å; V310-K312 PolarHBondContact O-N 2.91Å; V310-L313 PolarHBondContact O-N 2.68Å; V310-E314 PolarHBondContact O-N 2.8Å
311L43.8Very low40.6Very low82 Ų82107 Ų10743%0.42954%0.543SS..Hα-helixtrans-57.9-42.5176.8-73.2170000111.9H307 L313 E314 E315H307-L311 WeakPolarHBondContact O-CG 3.39Å; H307-L311 PolarHBondContact O-N 3.24Å; L311-L313 PolarHBondContact O-N 2.88Å; L311-E314 PolarHBondContact O-N 3.23Å; L311-E315 PolarHBondContact O-N 3.49Å
312K43.3Very low40.6Very low126 Ų126105.6 Ų105.655%0.54854%0.541SS..Hα-helixtrans-62.7-41.7177.1-173.9-177.4174.8-169.90112.7Q308 N309 V310 E314 E315 E316Q308-K312 PolarHBondContact O-N 3.27Å; N309-K312 PolarHBondContact O-N 3.42Å; V310-K312 VanDerWaalsContact C-N 3.3Å; V310-K312 PolarHBondContact O-N 2.91Å; K312-E314 VanDerWaalsContact C-N 3.33Å; K312-E315 PolarHBondContact O-N 3.46Å; K312-E316 VanDerWaalsContact O-CB 3.29Å; K312-E316 WeakPolarHBondContact O-CB 3.46Å; K312-E316 PolarHBondContact O-N 2.97Å
313L42.8Very low40.6Very low112 Ų112106.1 Ų106.159%0.58654%0.539SS*.Hα-helixtrans-70-30.2176.2-71.9168.7000112.3N309 V310 L311 L317N309-L313 WeakPolarHBondContact O-CG 3.38Å; N309-L313 PolarHBondContact O-N 3.37Å; V310-L313 PolarHBondContact O-N 2.68Å; L311-L313 PolarHBondContact O-N 2.88Å; L313-L317 VanDerWaalsContact O-CB 3.27Å; L313-L317 WeakPolarHBondContact O-CB 3.4Å; L313-L317 PolarHBondContact O-N 3.49Å
314E42.1Very low40.9Very low87 Ų87110.3 Ų110.341%0.40755%0.551SS.*Hα-helixtrans-72-39.6173.5-169.6163-148.900111.6V310 L311 K312 Q318V310-E314 PolarHBondContact O-N 2.8Å; L311-E314 PolarHBondContact O-N 3.23Å; K312-E314 VanDerWaalsContact C-N 3.33Å; E314-Q318 WeakPolarHBondContact O-CB 3.39Å; E314-Q318 VanDerWaalsContact O-CG 3.23Å; E314-Q318 WeakPolarHBondContact O-CG 3.47Å; E314-Q318 PolarHBondContact O-N 3.38Å
315E43.9Very low40.4Very low140 Ų140110.8 Ų110.865%0.65455%0.55SS*.Hα-helixtrans-62.9-43.1169.1-74.3-173.3140.500112.2L311 K312 Q318 H319L311-E315 PolarHBondContact O-N 3.49Å; K312-E315 PolarHBondContact O-N 3.46Å; E315-Q318 PolarHBondContact O-N 3.49Å; E315-H319 WeakPolarHBondContact O-CB 3.47Å; E315-H319 PolarHBondContact O-N 3.23Å
316E42.9Very low40.3Very low101 Ų101111.3 Ų111.347%0.47256%0.557SS.*Hα-helixtrans-67.9-36.1-179.8-166.2160-149.900111.7K312 Q320K312-E316 VanDerWaalsContact O-CB 3.29Å; K312-E316 WeakPolarHBondContact O-CB 3.46Å; K312-E316 PolarHBondContact O-N 2.97Å; E316-Q320 WeakPolarHBondContact O-CG 3.47Å; E316-Q320 PolarHBondContact O-N 2.93Å
317L39.5Very low40Very low100 Ų100108.8 Ų108.852%0.52456%0.564SS.*Hα-helixtrans-68.6-41.4169.9179.961.7000112.2L313 H319 Q320 L321L313-L317 VanDerWaalsContact O-CB 3.27Å; L313-L317 WeakPolarHBondContact O-CB 3.4Å; L313-L317 PolarHBondContact O-N 3.49Å; L317-H319 VanDerWaalsContact C-N 3.33Å; L317-H319 PolarHBondContact O-N 2.76Å; L317-Q320 PolarHBondContact O-N 3.3Å; L317-L321 HydrophobicContact CD1-CD1 4.46Å; L317-L321 HydrophobicContact CD1-CG 4.49Å; L317-L321 HydrophobicContact CG-CD1 4.2Å; L317-L321 WeakPolarHBondContact O-CB 3.42Å; L317-L321 VanDerWaalsContact O-CG 3.31Å; L317-L321 WeakPolarHBondContact O-CG 3.38Å; L317-L321 PolarHBondContact O-N 3.24Å
318Q39Very low40.3Very low119 Ų119107.1 Ų107.156%0.55658%0.578SS**Hα-helixtrans-63.8-38174.9-76.2177.73400111.6E314 E315 L321 L322E314-Q318 WeakPolarHBondContact O-CB 3.39Å; E314-Q318 VanDerWaalsContact O-CG 3.23Å; E314-Q318 WeakPolarHBondContact O-CG 3.47Å; E314-Q318 PolarHBondContact O-N 3.38Å; E315-Q318 PolarHBondContact O-N 3.49Å; Q318-L321 PolarHBondContact O-N 3.43Å; Q318-L322 WeakPolarHBondContact O-CB 3.39Å; Q318-L322 PolarHBondContact O-N 3.41Å
319H41Very low40.8Very low112 Ų112106.1 Ų106.152%0.51958%0.581SS.*Hα-helixtrans-63.9-46.6174-162.9-78000111.5E315 L317 L321 L322 E323E315-H319 WeakPolarHBondContact O-CB 3.47Å; E315-H319 PolarHBondContact O-N 3.23Å; L317-H319 VanDerWaalsContact C-N 3.33Å; L317-H319 PolarHBondContact O-N 2.76Å; H319-L321 VanDerWaalsContact C-N 3.29Å; H319-L321 PolarHBondContact O-N 3.3Å; H319-L322 WeakPolarHBondContact O-CB 3.07Å; H319-L322 PolarHBondContact O-N 2.89Å; H319-E323 IonicContact CE1-OE1 3.76Å; H319-E323 IonicContact CE1-OE2 2.82Å; H319-E323 PolarHBondContact CE1-OE2 2.79Å; H319-E323 VanDerWaalsContact ND1-CD 3.26Å; H319-E323 IonicContact ND1-OE1 2.73Å; H319-E323 IonicContact ND1-OE2 2.9Å; H319-E323 PolarHBondContact ND1-OE2 2.78Å; H319-E323 PolarHBondContact O-N 2.81Å
320Q38Very low41.4Very low105 Ų105102.4 Ų102.449%0.49156%0.562SS.*Hα-helixtrans-62.9-34.7175.2-73.3-178.618.300112.6E316 L317 N324E316-Q320 WeakPolarHBondContact O-CG 3.47Å; E316-Q320 PolarHBondContact O-N 2.93Å; L317-Q320 PolarHBondContact O-N 3.3Å; Q320-N324 WeakPolarHBondContact O-CB 3.27Å; Q320-N324 PolarHBondContact O-N 2.95Å; Q320-N324 PolarHBondContact O-ND2 2.78Å
321L39.4Very low42.3Very low108 Ų108101.9 Ų101.957%0.56556%0.561SS**Hα-helixtrans-68.6-34.4172.6-73.2168.7000112L317 Q318 H319 S325L317-L321 HydrophobicContact CD1-CD1 4.46Å; L317-L321 HydrophobicContact CD1-CG 4.49Å; L317-L321 HydrophobicContact CG-CD1 4.2Å; L317-L321 WeakPolarHBondContact O-CB 3.42Å; L317-L321 VanDerWaalsContact O-CG 3.31Å; L317-L321 WeakPolarHBondContact O-CG 3.38Å; L317-L321 PolarHBondContact O-N 3.24Å; Q318-L321 PolarHBondContact O-N 3.43Å; H319-L321 VanDerWaalsContact C-N 3.29Å; H319-L321 PolarHBondContact O-N 3.3Å; L321-S325 WeakPolarHBondContact O-CB 3.46Å; L321-S325 PolarHBondContact O-N 2.75Å; L321-S325 PolarHBondContact O-OG 3.01Å
322L36.8Very low43.4Very low139 Ų139103.2 Ų103.273%0.72857%0.565SS**Hα-helixtrans-72.6-35.9176.4-147.172.8000112.6Q318 H319 S325Q318-L322 WeakPolarHBondContact O-CB 3.39Å; Q318-L322 PolarHBondContact O-N 3.41Å; H319-L322 WeakPolarHBondContact O-CB 3.07Å; H319-L322 PolarHBondContact O-N 2.89Å; L322-S325 PolarHBondContact O-OG 2.85Å
323E37.6Very low44.7Very low135 Ų135103 Ų10363%0.63157%0.566SS**Hα-helixtrans-74-26.7174.9-73.6179.9117.800113.1H319H319-E323 IonicContact CE1-OE1 3.76Å; H319-E323 IonicContact CE1-OE2 2.82Å; H319-E323 PolarHBondContact CE1-OE2 2.79Å; H319-E323 VanDerWaalsContact ND1-CD 3.26Å; H319-E323 IonicContact ND1-OE1 2.73Å; H319-E323 IonicContact ND1-OE2 2.9Å; H319-E323 PolarHBondContact ND1-OE2 2.78Å; H319-E323 PolarHBondContact O-N 2.81Å
324N41.2Very low46.2Very low135 Ų13597.9 Ų97.972%0.72254%0.539SS*.Hα-helixtrans-1051-180-66.9-82.5000114Q320 V326Q320-N324 WeakPolarHBondContact O-CB 3.27Å; Q320-N324 PolarHBondContact O-N 2.95Å; Q320-N324 PolarHBondContact O-ND2 2.78Å; N324-V326 PolarHBondContact O-N 2.81Å
325S26.6Very low47.7Very low74 Ų7494.9 Ų94.952%0.51753%0.525SS..  trans-78.9104.4177.861.30000112.4L321 L322L321-S325 WeakPolarHBondContact O-CB 3.46Å; L321-S325 PolarHBondContact O-N 2.75Å; L321-S325 PolarHBondContact O-OG 3.01Å; L322-S325 PolarHBondContact O-OG 2.85Å
326V36.2Very low49.4Very low109 Ų10991.9 Ų91.966%0.66151%0.513SS*.  -178.1135107149.50000109.6N324N324-V326 PolarHBondContact O-N 2.81Å
327A35.3Very low51.2Low99 Ų9989 Ų8982%0.81850%0.499SS*.  trans-86.8120.6172.500000111.7T329A327-T329 PolarHBondContact O-N 3.27Å
328G45.8Very low53.1Low81 Ų8184.3 Ų84.384%0.83548%0.475SS*.SBendtrans81.413.5145.400000119.4
329T51.7Low55.2Low112 Ų11281.3 Ų81.369%0.68746%0.458SS*.  trans-120.9118.717342.80000112.7A327 S331A327-T329 PolarHBondContact O-N 3.27Å; T329-S331 PolarHBondContact O-N 2.71Å
330V58.1Low57.1Low16 Ų1681.6 Ų81.610%0.09746%0.458CS..  trans-62.5127.2170.7-176.30000109L334 K335 W371 F373 L379 L383V330-L334 HydrophobicContact CG1-CB 4.22Å; V330-L334 HydrophobicContact CG1-CD2 4.03Å; V330-L334 HydrophobicContact CG1-CG 4.29Å; V330-K335 HydrophobicContact CG1-CG 4.22Å; V330-K335 WeakPolarHBondContact O-CE 3.29Å; V330-W371 HydrophobicContact CG1-CE3 4.19Å; V330-W371 HydrophobicContact CG1-CZ3 3.99Å; V330-F373 HydrophobicContact CG2-CE1 4.39Å; V330-F373 HydrophobicContact CG2-CE2 3.77Å; V330-F373 HydrophobicContact CG2-CZ 3.43Å; V330-F373 VanDerWaalsContact CG2-CZ 3.43Å; V330-L379 HydrophobicContact CG1-CD1 4.24Å; V330-L379 HydrophobicContact CG2-CD1 3.84Å; V330-L383 HydrophobicContact CB-CD2 3.94Å; V330-L383 HydrophobicContact CG1-CD1 4.49Å; V330-L383 HydrophobicContact CG1-CD2 4.12Å; V330-L383 HydrophobicContact CG2-CD2 3.98Å; V330-L383 HydrophobicContact CG2-CG 4.43Å
331S64Low59.3Low48 Ų4876.6 Ų76.634%0.33643%0.434SS..  trans-59146.3-178108.70000112.2T329 E333 L334 K335 W371T329-S331 PolarHBondContact O-N 2.71Å; S331-E333 PolarHBondContact O-N 2.78Å; S331-E333 PolarHBondContact OG-N 2.95Å; S331-L334 PolarHBondContact O-N 2.89Å; S331-L334 PolarHBondContact OG-N 2.71Å; S331-K335 PolarHBondContact O-N 3.31Å; S331-K335 VanDerWaalsContact O-N 3.08Å; S331-W371 VanDerWaalsContact OG-CH2 3.29Å; S331-W371 WeakPolarHBondContact OG-CH2 3.47Å
332Q65.3Low61.2Low110 Ų11071.6 Ų71.651%0.51441%0.408SS..Hα-helixtrans-61.8-31.6-179.6-17356.439.700112.2K335 D336Q332-K335 WeakPolarHBondContact O-CB 3.27Å; Q332-K335 PolarHBondContact O-N 3.47Å; Q332-D336 PolarHBondContact NE2-OD1 2.96Å; Q332-D336 PolarHBondContact NE2-OD2 2.95Å; Q332-D336 PolarHBondContact O-N 2.98Å
333E71.4Confident63Low122 Ų12267.5 Ų67.557%0.5740%0.4SS*.Hα-helixtrans-62.3-45.1175.8-167.8-162.9136.400111.6S331 D336 K337S331-E333 PolarHBondContact O-N 2.78Å; S331-E333 PolarHBondContact OG-N 2.95Å; E333-D336 PolarHBondContact O-N 3.29Å; E333-K337 HydrophobicContact CG-CD 4.48Å; E333-K337 WeakPolarHBondContact O-CB 3.48Å; E333-K337 WeakPolarHBondContact O-CG 3.38Å; E333-K337 PolarHBondContact O-N 2.73Å; E333-K337 WeakPolarHBondContact OE1-CE 3.38Å; E333-K337 IonicContact OE1-NZ 3.62Å; E333-K337 PolarHBondContact OE1-NZ 3.1Å
334L73.9Confident64.8Low4 Ų465.9 Ų65.92%0.02139%0.392CS..Hα-helixtrans-69.7-36.5177.4-177.759.1000111.6V330 S331 D336 K337 L338 Y358 L366 P367 W371 L379V330-L334 HydrophobicContact CG1-CB 4.22Å; V330-L334 HydrophobicContact CG1-CD2 4.03Å; V330-L334 HydrophobicContact CG1-CG 4.29Å; S331-L334 PolarHBondContact O-N 2.89Å; S331-L334 PolarHBondContact OG-N 2.71Å; L334-D336 VanDerWaalsContact C-N 3.32Å; L334-D336 PolarHBondContact O-N 3.49Å; L334-K337 PolarHBondContact O-N 2.85Å; L334-L338 HydrophobicContact CD1-CD1 4.12Å; L334-L338 HydrophobicContact CD1-CG 4.08Å; L334-L338 HydrophobicContact CG-CD1 3.91Å; L334-L338 HydrophobicContact CG-CG 4.36Å; L334-L338 VanDerWaalsContact O-CB 3.3Å; L334-L338 WeakPolarHBondContact O-CB 3.42Å; L334-L338 WeakPolarHBondContact O-CG 3.45Å; L334-L338 PolarHBondContact O-N 3.13Å; L334-Y358 HydrophobicContact CD1-CE2 3.58Å; L334-Y358 WeakPolarHBondContact CD1-OH 3.41Å; L334-L366 HydrophobicContact CD1-CD1 3.93Å; L334-P367 HydrophobicContact CD2-CG 4.41Å; L334-W371 HydrophobicContact CB-CE3 4.48Å; L334-W371 HydrophobicContact CB-CH2 3.52Å; L334-W371 HydrophobicContact CB-CZ3 3.41Å; L334-W371 VanDerWaalsContact CB-CZ3 3.41Å; L334-W371 HydrophobicContact CD2-CD2 4.34Å; L334-W371 HydrophobicContact CD2-CE3 3.6Å; L334-W371 HydrophobicContact CD2-CH2 3.89Å; L334-W371 HydrophobicContact CD2-CZ3 3.35Å; L334-W371 HydrophobicContact CG-CH2 4.3Å; L334-W371 HydrophobicContact CG-CZ3 4Å; L334-L379 HydrophobicContact CD2-CD2 4.42Å
335K74.6Confident65.9Low24 Ų2461.5 Ų61.510%0.10437%0.372CS..Hα-helixtrans-56-46.8172.2-76176.8172.2-100.20111.2V330 S331 Q332 R339 L383 D385 I386V330-K335 HydrophobicContact CG1-CG 4.22Å; V330-K335 WeakPolarHBondContact O-CE 3.29Å; S331-K335 PolarHBondContact O-N 3.31Å; S331-K335 VanDerWaalsContact O-N 3.08Å; Q332-K335 WeakPolarHBondContact O-CB 3.27Å; Q332-K335 PolarHBondContact O-N 3.47Å; K335-R339 VanDerWaalsContact O-CB 3.29Å; K335-R339 WeakPolarHBondContact O-CB 2.78Å; K335-R339 PolarHBondContact O-N 3.3Å; K335-L383 HydrophobicContact CD-CD2 4.18Å; K335-L383 HydrophobicContact CG-CD2 3.68Å; K335-D385 IonicContact NZ-OD1 3.42Å; K335-D385 PolarHBondContact NZ-OD1 2.84Å; K335-D385 IonicContact NZ-OD2 3.25Å; K335-D385 PolarHBondContact NZ-OD2 2.93Å; K335-I386 HydrophobicContact CB-CD1 3.69Å; K335-I386 HydrophobicContact CD-CD1 3.75Å; K335-I386 HydrophobicContact CG-CD1 3.71Å
336D78.6Confident67.5Low77 Ų7764.2 Ų64.241%0.41239%0.391SS..Hα-helixtrans-77.4-33.5-178.5-67.7-33.6000113.1Q332 E333 L334 R339 K340Q332-D336 PolarHBondContact NE2-OD1 2.96Å; Q332-D336 PolarHBondContact NE2-OD2 2.95Å; Q332-D336 PolarHBondContact O-N 2.98Å; E333-D336 PolarHBondContact O-N 3.29Å; L334-D336 VanDerWaalsContact C-N 3.32Å; L334-D336 PolarHBondContact O-N 3.49Å; D336-R339 PolarHBondContact O-N 3.08Å; D336-R339 IonicContact OD1-NE 2.8Å; D336-K340 PolarHBondContact O-N 3.44Å; D336-K340 VanDerWaalsContact O-N 3.07Å
337K82.1Confident68.6Low41 Ų4162.5 Ų62.518%0.17839%0.389CS..Hα-helixtrans-60.2-51.2169-78.7-178173.6170.20111.3E333 L334 R339 K340 V341 Y358 F362 E364E333-K337 HydrophobicContact CG-CD 4.48Å; E333-K337 WeakPolarHBondContact O-CB 3.48Å; E333-K337 WeakPolarHBondContact O-CG 3.38Å; E333-K337 PolarHBondContact O-N 2.73Å; E333-K337 WeakPolarHBondContact OE1-CE 3.38Å; E333-K337 IonicContact OE1-NZ 3.62Å; E333-K337 PolarHBondContact OE1-NZ 3.1Å; L334-K337 PolarHBondContact O-N 2.85Å; K337-R339 VanDerWaalsContact C-N 3.31Å; K337-R339 PolarHBondContact O-N 3.21Å; K337-K340 WeakPolarHBondContact O-CB 3.42Å; K337-K340 PolarHBondContact O-N 2.82Å; K337-V341 WeakPolarHBondContact O-CG2 3.44Å; K337-V341 PolarHBondContact O-N 2.93Å; K337-Y358 HydrophobicContact CB-CE2 3.85Å; K337-Y358 VanDerWaalsContact CD-OH 3.25Å; K337-Y358 WeakPolarHBondContact CD-OH 3.3Å; K337-F362 HydrophobicContact CB-CD2 4.24Å; K337-F362 HydrophobicContact CB-CE1 4.35Å; K337-F362 HydrophobicContact CB-CE2 3.54Å; K337-F362 HydrophobicContact CB-CZ 3.62Å; K337-F362 HydrophobicContact CD-CD1 4.46Å; K337-F362 HydrophobicContact CD-CD2 4.41Å; K337-F362 HydrophobicContact CD-CE1 4.5Å; K337-F362 HydrophobicContact CD-CE2 4.43Å; K337-F362 HydrophobicContact CD-CG 4.43Å; K337-F362 HydrophobicContact CD-CZ 4.49Å; K337-F362 HydrophobicContact CG-CD1 4.36Å; K337-F362 HydrophobicContact CG-CD2 4.41Å; K337-F362 HydrophobicContact CG-CE1 3.91Å; K337-F362 HydrophobicContact CG-CE2 3.95Å; K337-F362 HydrophobicContact CG-CZ 3.69Å; K337-F362 WeakPolarHBondContact O-CE2 3.49Å; K337-F362 WeakPolarHBondContact O-CZ 3.28Å; K337-E364 IonicContact NZ-OE1 3.33Å; K337-E364 PolarHBondContact NZ-OE1 2.82Å; K337-E364 IonicContact NZ-OE2 2.79Å
338L79.2Confident70.2Confident1 Ų158 Ų581%0.00535%0.351CS..Hα-helixtrans-60.3-39.8175.9-78.7167.1000112.3L334 K340 V341 V342 L354 Y358 L366 L379 L383 F387L334-L338 HydrophobicContact CD1-CD1 4.12Å; L334-L338 HydrophobicContact CD1-CG 4.08Å; L334-L338 HydrophobicContact CG-CD1 3.91Å; L334-L338 HydrophobicContact CG-CG 4.36Å; L334-L338 VanDerWaalsContact O-CB 3.3Å; L334-L338 WeakPolarHBondContact O-CB 3.42Å; L334-L338 WeakPolarHBondContact O-CG 3.45Å; L334-L338 PolarHBondContact O-N 3.13Å; L338-K340 VanDerWaalsContact C-N 3.29Å; L338-K340 PolarHBondContact O-N 3.22Å; L338-V341 PolarHBondContact O-N 3.05Å; L338-V341 VanDerWaalsContact O-N 3.12Å; L338-V342 PolarHBondContact O-N 3.28Å; L338-L354 HydrophobicContact CD2-CD1 4.22Å; L338-L354 HydrophobicContact CD2-CD2 4.24Å; L338-L354 HydrophobicContact CD2-CG 4.34Å; L338-Y358 HydrophobicContact CD2-CD2 3.92Å; L338-Y358 HydrophobicContact CD2-CE2 4.38Å; L338-Y358 HydrophobicContact CG-CD2 4.34Å; L338-Y358 HydrophobicContact CG-CE2 4.32Å; L338-L366 HydrophobicContact CD2-CD1 3.81Å; L338-L366 HydrophobicContact CG-CD1 4.33Å; L338-L379 HydrophobicContact CD1-CD2 4.26Å; L338-L383 HydrophobicContact CD1-CD1 3.52Å; L338-F387 HydrophobicContact CB-CE2 3.97Å; L338-F387 HydrophobicContact CB-CZ 3.88Å
339R81.9Confident71.7Confident56 Ų5654.8 Ų54.821%0.21132%0.315CS..Hα-helixtrans-60.1-40.3177.5-174.8-175.2-67.5-75.911.4111.5K335 D336 K337 G343 F387 D404 R406K335-R339 VanDerWaalsContact O-CB 3.29Å; K335-R339 WeakPolarHBondContact O-CB 2.78Å; K335-R339 PolarHBondContact O-N 3.3Å; D336-R339 PolarHBondContact O-N 3.08Å; D336-R339 IonicContact OD1-NE 2.8Å; K337-R339 VanDerWaalsContact C-N 3.31Å; K337-R339 PolarHBondContact O-N 3.21Å; R339-G343 PolarHBondContact O-N 3.01Å; R339-F387 HydrophobicContact CB-CZ 4.37Å; R339-D404 WeakPolarHBondContact CG-OD2 3.29Å; R339-D404 IonicContact CZ-OD2 3.72Å; R339-D404 IonicContact NH1-OD1 2.7Å; R339-D404 PolarHBondContact NH1-OD1 3.22Å; R339-D404 IonicContact NH1-OD2 2.86Å; R339-D404 PolarHBondContact NH1-OD2 2.76Å; R339-R406 VanDerWaalsContact NH1-NE 3.18Å
340K81.4Confident73Confident117 Ų11750.3 Ų50.351%0.50929%0.288SS..Hα-helixtrans-64.3-40.8174.4-170.3-172.6174.3-164.20112.1D336 K337 L338 G343 E344 F362D336-K340 PolarHBondContact O-N 3.44Å; D336-K340 VanDerWaalsContact O-N 3.07Å; K337-K340 WeakPolarHBondContact O-CB 3.42Å; K337-K340 PolarHBondContact O-N 2.82Å; L338-K340 VanDerWaalsContact C-N 3.29Å; L338-K340 PolarHBondContact O-N 3.22Å; K340-G343 PolarHBondContact O-N 3Å; K340-E344 PolarHBondContact O-N 3.01Å; K340-F362 HydrophobicContact CB-CZ 4.35Å; K340-F362 HydrophobicContact CD-CE1 4.34Å; K340-F362 HydrophobicContact CD-CZ 4.14Å
341V83.2Confident73.8Confident0 Ų049.7 Ų49.70%029%0.285CS..Hα-helixtrans-64.2-54.6179.7175.70000111K337 L338 G343 E344 I349 L354 E357 Y358 L361 F362K337-V341 WeakPolarHBondContact O-CG2 3.44Å; K337-V341 PolarHBondContact O-N 2.93Å; L338-V341 PolarHBondContact O-N 3.05Å; L338-V341 VanDerWaalsContact O-N 3.12Å; V341-G343 PolarHBondContact O-N 2.85Å; V341-E344 PolarHBondContact O-N 2.86Å; V341-E344 VanDerWaalsContact O-N 3.11Å; V341-I349 HydrophobicContact CG1-CD1 4.02Å; V341-I349 WeakPolarHBondContact O-CD1 3.33Å; V341-L354 HydrophobicContact CG1-CD1 3.8Å; V341-E357 HydrophobicContact CG1-CB 3.87Å; V341-Y358 HydrophobicContact CG2-CD2 4.01Å; V341-L361 HydrophobicContact CB-CD1 4.11Å; V341-L361 HydrophobicContact CG1-CD1 4.15Å; V341-L361 HydrophobicContact CG2-CB 4.29Å; V341-L361 HydrophobicContact CG2-CD1 3.74Å; V341-F362 HydrophobicContact CG2-CD2 4.27Å; V341-F362 HydrophobicContact CG2-CE2 3.55Å; V341-F362 HydrophobicContact CG2-CZ 4.38Å
342V81.1Confident74.4Confident3 Ų353 Ų532%0.01830%0.295CS..Hα-helixtrans-60.5-36.4179177.30000111L338 E344 S345 L354 F387 V402L338-V342 PolarHBondContact O-N 3.28Å; V342-E344 PolarHBondContact O-N 2.69Å; V342-S345 PolarHBondContact O-N 3.01Å; V342-S345 VanDerWaalsContact O-N 3.16Å; V342-L354 HydrophobicContact CG2-CD1 4.01Å; V342-F387 HydrophobicContact CB-CD1 4.24Å; V342-F387 HydrophobicContact CB-CE1 3.73Å; V342-F387 HydrophobicContact CG1-CD1 4.1Å; V342-F387 HydrophobicContact CG1-CE1 4.07Å; V342-F387 HydrophobicContact CG2-CD1 4.04Å; V342-F387 HydrophobicContact CG2-CE1 3.63Å; V342-F387 HydrophobicContact CG2-CZ 4.11Å; V342-V402 HydrophobicContact CG1-CG1 4.43Å; V342-V402 HydrophobicContact CG2-CB 4.43Å; V342-V402 HydrophobicContact CG2-CG1 3.9Å
343G74.5Confident75.1Confident53 Ų5352.1 Ų52.155%0.54629%0.293SS..THydrogen-bonded Turntrans-67.6-5.8176.600000116.6R339 K340 V341 S345R339-G343 PolarHBondContact O-N 3.01Å; K340-G343 PolarHBondContact O-N 3Å; V341-G343 PolarHBondContact O-N 2.85Å; G343-S345 VanDerWaalsContact C-N 3.34Å
344E74.9Confident75.5Confident102 Ų10246.4 Ų46.448%0.47727%0.266SS..THydrogen-bonded Turntrans-81.5-10.7169.5-65.2-158.1167.600113.1K340 V341 V342 R360 L361K340-E344 PolarHBondContact O-N 3.01Å; V341-E344 PolarHBondContact O-N 2.86Å; V341-E344 VanDerWaalsContact O-N 3.11Å; V342-E344 PolarHBondContact O-N 2.69Å; E344-R360 IonicContact OE2-CZ 3.08Å; E344-R360 IonicContact OE2-NH1 3.68Å; E344-R360 PolarHBondContact OE2-NH1 3.45Å; E344-R360 IonicContact OE2-NH2 2.66Å; E344-R360 PolarHBondContact OE2-NH2 2.86Å; E344-L361 HydrophobicContact CG-CD1 4.25Å; E344-L361 WeakPolarHBondContact OE1-CD2 3.42Å; E344-L361 WeakPolarHBondContact OE2-CD2 3.5Å
345S64.8Low75.9Confident42 Ų4247.8 Ų47.829%0.29428%0.276SS..  trans-123.3111.4177.6-177.90000112.4V342 G343 A347 G348V342-S345 PolarHBondContact O-N 3.01Å; V342-S345 VanDerWaalsContact O-N 3.16Å; G343-S345 VanDerWaalsContact C-N 3.34Å; S345-A347 PolarHBondContact O-N 3.08Å; S345-A347 VanDerWaalsContact O-N 3.13Å; S345-G348 VanDerWaalsContact CB-O 3.27Å; S345-G348 WeakPolarHBondContact CB-O 3.48Å; S345-G348 PolarHBondContact O-N 2.95Å; S345-G348 PolarHBondContact OG-O 2.92Å
346S58.7Low76.3Confident131 Ų13149.6 Ų49.692%0.91630%0.295SS*.THydrogen-bonded Turntrans-68-7.3177.354.60000114.8
347A61.1Low76.5Confident74 Ų7448.7 Ų48.761%0.61229%0.288SS*.THydrogen-bonded Turntrans-102.62.3170.800000113S345S345-A347 PolarHBondContact O-N 3.08Å; S345-A347 VanDerWaalsContact O-N 3.13Å
348G67.5Low76.6Confident3 Ų346.8 Ų46.83%0.03128%0.28CS..  trans79.9178.2-167.100000113.5S345 M401 V402S345-G348 VanDerWaalsContact CB-O 3.27Å; S345-G348 WeakPolarHBondContact CB-O 3.48Å; S345-G348 PolarHBondContact O-N 2.95Å; S345-G348 PolarHBondContact OG-O 2.92Å; G348-M401 WeakPolarHBondContact O-CE 3.44Å; G348-V402 CarbonylContact C-O 3.44Å; G348-V402 WeakPolarHBondContact CA-O 3.15Å
349I77.9Confident76.8Confident14 Ų1451 Ų517%0.07230%0.299CS..EExtended strand (participates in β ladder)trans-123.9138.3-178.5-62-173000109.7V341 D353 L354 E357 V402V341-I349 HydrophobicContact CG1-CD1 4.02Å; V341-I349 WeakPolarHBondContact O-CD1 3.33Å; I349-D353 HydrophobicContact CG2-CB 4.49Å; I349-L354 HydrophobicContact CG2-CB 4.27Å; I349-L354 HydrophobicContact CG2-CD1 4.45Å; I349-E357 HydrophobicContact CD1-CB 4.44Å; I349-E357 HydrophobicContact CG2-CG 4.45Å; I349-V402 PolarHBondContact N-O 2.95Å; I349-V402 WeakPolarHBondContact O-CB 3.4Å; I349-V402 PolarHBondContact O-N 3.03Å
350S78.9Confident77.1Confident19 Ų1954.8 Ų54.813%0.13331%0.313CS..EExtended strand (participates in β ladder)trans-63.7138.7176.11330000110.8H352 D353 L354 W400S350-H352 PolarHBondContact O-N 3.33Å; S350-H352 VanDerWaalsContact O-N 3.12Å; S350-H352 PolarHBondContact OG-N 3.23Å; S350-D353 WeakPolarHBondContact CB-OD2 3.35Å; S350-D353 PolarHBondContact O-N 2.9Å; S350-D353 PolarHBondContact OG-N 2.91Å; S350-D353 PolarHBondContact OG-OD2 2.66Å; S350-L354 PolarHBondContact O-N 3.14Å; S350-W400 CarbonylContact C-O 3.54Å; S350-W400 WeakPolarHBondContact CA-O 3.25Å
351V74.4Confident77.2Confident3 Ų351 Ų512%0.01830%0.298CS..THydrogen-bonded Turntrans-60-26-179.4-177.40000112V376 T377 L389 W400 V402V351-V376 HydrophobicContact CG1-CB 4.05Å; V351-V376 HydrophobicContact CG1-CG1 3.94Å; V351-T377 HydrophobicContact CB-CG2 4.42Å; V351-T377 HydrophobicContact CG1-CG2 3.62Å; V351-L389 HydrophobicContact CG2-CD2 3.38Å; V351-W400 HydrophobicContact CB-CB 4.48Å; V351-W400 HydrophobicContact CG2-CB 3.79Å; V351-W400 WeakPolarHBondContact CG2-O 3.35Å; V351-W400 PolarHBondContact N-O 3.48Å; V351-V402 HydrophobicContact CB-CG2 4.4Å; V351-V402 HydrophobicContact CG2-CG2 3.44Å; V351-V402 VanDerWaalsContact CG2-CG2 3.44Å
352H76.1Confident77.1Confident118 Ų11854 Ų5455%0.54631%0.311SS..THydrogen-bonded Turntrans-76.3-29.1177.3-63.2-62.2000112.8S350S350-H352 PolarHBondContact O-N 3.33Å; S350-H352 VanDerWaalsContact O-N 3.12Å; S350-H352 PolarHBondContact OG-N 3.23Å
353D79.9Confident76.9Confident90 Ų9057 Ų5748%0.48134%0.342SS..THydrogen-bonded Turntrans-94.6-21.5-177.9-55.6-66.9000112.6I349 S350 P355 A356 E357I349-D353 HydrophobicContact CG2-CB 4.49Å; S350-D353 WeakPolarHBondContact CB-OD2 3.35Å; S350-D353 PolarHBondContact O-N 2.9Å; S350-D353 PolarHBondContact OG-N 2.91Å; S350-D353 PolarHBondContact OG-OD2 2.66Å; D353-P355 VanDerWaalsContact C-N 3.32Å; D353-P355 VanDerWaalsContact O-N 3.16Å; D353-A356 WeakPolarHBondContact O-CA 3.4Å; D353-A356 WeakPolarHBondContact O-CB 3.22Å; D353-A356 PolarHBondContact O-N 3.01Å; D353-E357 PolarHBondContact O-N 3.03Å
354L80.7Confident77.3Confident2 Ų258.1 Ų58.11%0.0133%0.334CS..Hα-helixtrans-48-40.1178.2-177.764.3000114.7L338 V341 V342 I349 S350 Y358 V376 V380 V402L338-L354 HydrophobicContact CD2-CD1 4.22Å; L338-L354 HydrophobicContact CD2-CD2 4.24Å; L338-L354 HydrophobicContact CD2-CG 4.34Å; V341-L354 HydrophobicContact CG1-CD1 3.8Å; V342-L354 HydrophobicContact CG2-CD1 4.01Å; I349-L354 HydrophobicContact CG2-CB 4.27Å; I349-L354 HydrophobicContact CG2-CD1 4.45Å; S350-L354 PolarHBondContact O-N 3.14Å; L354-Y358 VanDerWaalsContact O-CB 3.25Å; L354-Y358 WeakPolarHBondContact O-CB 3.38Å; L354-Y358 PolarHBondContact O-N 3.18Å; L354-V376 HydrophobicContact CB-CG1 4.41Å; L354-V376 HydrophobicContact CD2-CG1 4.01Å; L354-V380 HydrophobicContact CD2-CG2 3.6Å; L354-V402 HydrophobicContact CD2-CG2 4.33Å
355P82.8Confident77.4Confident34 Ų3458.3 Ų58.322%0.22134%0.338CS..Hα-helixtrans-68.9-35175.9-19.133.7000113.4D353 K359 L366 V376D353-P355 VanDerWaalsContact C-N 3.32Å; D353-P355 VanDerWaalsContact O-N 3.16Å; P355-K359 WeakPolarHBondContact O-CB 3.39Å; P355-K359 PolarHBondContact O-N 3.07Å; P355-L366 HydrophobicContact CB-CB 4.38Å; P355-L366 HydrophobicContact CB-CD2 4.41Å; P355-L366 HydrophobicContact CG-CD2 4.31Å; P355-V376 HydrophobicContact CG-CB 4.44Å; P355-V376 HydrophobicContact CG-CG1 4.07Å; P355-V376 HydrophobicContact CG-CG2 3.55Å
356A82.2Confident78.1Confident62 Ų6256.9 Ų56.951%0.51233%0.327SS..Hα-helixtrans-71.3-41.2178.100000110.8D353 K359 R360D353-A356 WeakPolarHBondContact O-CA 3.4Å; D353-A356 WeakPolarHBondContact O-CB 3.22Å; D353-A356 PolarHBondContact O-N 3.01Å; A356-K359 PolarHBondContact O-N 3.04Å; A356-R360 WeakPolarHBondContact O-CB 3.47Å; A356-R360 PolarHBondContact O-N 2.96Å
357E82.3Confident78.6Confident57 Ų5752 Ų5227%0.26629%0.292SS..Hα-helixtrans-69.2-38.9175.9-71.5-60.7114.900112.5V341 I349 D353 K359 R360 L361V341-E357 HydrophobicContact CG1-CB 3.87Å; I349-E357 HydrophobicContact CD1-CB 4.44Å; I349-E357 HydrophobicContact CG2-CG 4.45Å; D353-E357 PolarHBondContact O-N 3.03Å; E357-K359 VanDerWaalsContact C-N 3.33Å; E357-K359 PolarHBondContact O-N 3.31Å; E357-R360 WeakPolarHBondContact O-CB 3.46Å; E357-R360 PolarHBondContact O-N 3.23Å; E357-R360 IonicContact OE1-NE 3.97Å; E357-R360 PolarHBondContact OE1-NE 3.45Å; E357-R360 IonicContact OE2-CZ 2.64Å; E357-R360 IonicContact OE2-NE 3.78Å; E357-R360 PolarHBondContact OE2-NE 3.2Å; E357-R360 IonicContact OE2-NH2 2.68Å; E357-R360 PolarHBondContact OE2-NH2 3.05Å; E357-L361 WeakPolarHBondContact O-CB 3.23Å; E357-L361 PolarHBondContact O-N 3.27Å; E357-L361 VanDerWaalsContact O-N 3.09Å
358Y84.1Confident78.5Confident2 Ų251.2 Ų51.21%0.00827%0.274CS..Hα-helixtrans-58.7-46.1170.3-175.4-84.2000111.2L334 K337 L338 V341 L354 L361 F362 E364 L366L334-Y358 HydrophobicContact CD1-CE2 3.58Å; L334-Y358 WeakPolarHBondContact CD1-OH 3.41Å; K337-Y358 HydrophobicContact CB-CE2 3.85Å; K337-Y358 VanDerWaalsContact CD-OH 3.25Å; K337-Y358 WeakPolarHBondContact CD-OH 3.3Å; L338-Y358 HydrophobicContact CD2-CD2 3.92Å; L338-Y358 HydrophobicContact CD2-CE2 4.38Å; L338-Y358 HydrophobicContact CG-CD2 4.34Å; L338-Y358 HydrophobicContact CG-CE2 4.32Å; V341-Y358 HydrophobicContact CG2-CD2 4.01Å; L354-Y358 VanDerWaalsContact O-CB 3.25Å; L354-Y358 WeakPolarHBondContact O-CB 3.38Å; L354-Y358 PolarHBondContact O-N 3.18Å; Y358-L361 PolarHBondContact O-N 2.83Å; Y358-F362 HydrophobicContact CD1-CD2 4.32Å; Y358-F362 AromaticContact CD2-CD2 3.91Å; Y358-F362 HydrophobicContact CD2-CD2 3.91Å; Y358-F362 HydrophobicContact CD2-CE2 4.04Å; Y358-F362 HydrophobicContact CE1-CD2 4.17Å; Y358-F362 AromaticContact CE2-CD2 3.76Å; Y358-F362 HydrophobicContact CE2-CD2 3.76Å; Y358-F362 AromaticContact CE2-CE2 3.92Å; Y358-F362 HydrophobicContact CE2-CE2 3.92Å; Y358-F362 HydrophobicContact CG-CD2 4.18Å; Y358-F362 AromaticContact CZ-CD2 3.87Å; Y358-F362 PolarHBondContact O-N 3.02Å; Y358-E364 WeakPolarHBondContact CD1-O 3.41Å; Y358-E364 HydrophobicContact CE1-CG 3.93Å; Y358-E364 PolarHBondContact OH-OE1 2.98Å; Y358-L366 HydrophobicContact CD1-CB 3.84Å; Y358-L366 HydrophobicContact CD1-CD1 4.08Å; Y358-L366 HydrophobicContact CD2-CD1 3.69Å; Y358-L366 HydrophobicContact CE1-CB 4.36Å; Y358-L366 HydrophobicContact CE1-CD1 4.2Å; Y358-L366 HydrophobicContact CE2-CD1 3.8Å; Y358-L366 HydrophobicContact CG-CB 4.1Å; Y358-L366 HydrophobicContact CG-CD1 3.84Å
359K85.3Confident77.9Confident90 Ų9056.6 Ų56.639%0.39130%0.301SS..Hα-helixtrans-65.3-37.7177-167.8176-160.1159.20113P355 A356 E357 L361 G363 E364 D365P355-K359 WeakPolarHBondContact O-CB 3.39Å; P355-K359 PolarHBondContact O-N 3.07Å; A356-K359 PolarHBondContact O-N 3.04Å; E357-K359 VanDerWaalsContact C-N 3.33Å; E357-K359 PolarHBondContact O-N 3.31Å; K359-L361 PolarHBondContact O-N 3.21Å; K359-G363 VanDerWaalsContact O-CA 3.25Å; K359-G363 WeakPolarHBondContact O-CA 3.29Å; K359-G363 PolarHBondContact O-N 3.49Å; K359-E364 WeakPolarHBondContact CA-O 3.42Å; K359-D365 WeakPolarHBondContact CD-OD1 3.37Å; K359-D365 WeakPolarHBondContact CE-OD1 3.49Å; K359-D365 WeakPolarHBondContact CE-OD2 3.35Å; K359-D365 IonicContact NZ-OD1 3Å; K359-D365 PolarHBondContact NZ-OD1 2.75Å; K359-D365 IonicContact NZ-OD2 2.76Å; K359-D365 PolarHBondContact NZ-OD2 2.85Å
360R87.8Confident76.6Confident135 Ų13563.7 Ų63.751%0.50933%0.334SS..Hα-helixtrans-58.9-37.3173.1-177.5-177.26574.5-4111.7E344 A356 E357E344-R360 IonicContact OE2-CZ 3.08Å; E344-R360 IonicContact OE2-NH1 3.68Å; E344-R360 PolarHBondContact OE2-NH1 3.45Å; E344-R360 IonicContact OE2-NH2 2.66Å; E344-R360 PolarHBondContact OE2-NH2 2.86Å; A356-R360 WeakPolarHBondContact O-CB 3.47Å; A356-R360 PolarHBondContact O-N 2.96Å; E357-R360 WeakPolarHBondContact O-CB 3.46Å; E357-R360 PolarHBondContact O-N 3.23Å; E357-R360 IonicContact OE1-NE 3.97Å; E357-R360 PolarHBondContact OE1-NE 3.45Å; E357-R360 IonicContact OE2-CZ 2.64Å; E357-R360 IonicContact OE2-NE 3.78Å; E357-R360 PolarHBondContact OE2-NE 3.2Å; E357-R360 IonicContact OE2-NH2 2.68Å; E357-R360 PolarHBondContact OE2-NH2 3.05Å
361L83.6Confident75.1Confident36 Ų3667.6 Ų67.619%0.18835%0.346CS..Hα-helixtrans-92.2-28.3-170.7-79.4164.9000115.6V341 E344 E357 Y358 K359V341-L361 HydrophobicContact CB-CD1 4.11Å; V341-L361 HydrophobicContact CG1-CD1 4.15Å; V341-L361 HydrophobicContact CG2-CB 4.29Å; V341-L361 HydrophobicContact CG2-CD1 3.74Å; E344-L361 HydrophobicContact CG-CD1 4.25Å; E344-L361 WeakPolarHBondContact OE1-CD2 3.42Å; E344-L361 WeakPolarHBondContact OE2-CD2 3.5Å; E357-L361 WeakPolarHBondContact O-CB 3.23Å; E357-L361 PolarHBondContact O-N 3.27Å; E357-L361 VanDerWaalsContact O-N 3.09Å; Y358-L361 PolarHBondContact O-N 2.83Å; K359-L361 PolarHBondContact O-N 3.21Å
362F81.6Confident73.7Confident63 Ų6370.4 Ų70.428%0.27638%0.375SS..Hα-helixtrans-117.6-10.5179.8-58.3-65.7000114.4K337 K340 V341 Y358 E364K337-F362 HydrophobicContact CB-CD2 4.24Å; K337-F362 HydrophobicContact CB-CE1 4.35Å; K337-F362 HydrophobicContact CB-CE2 3.54Å; K337-F362 HydrophobicContact CB-CZ 3.62Å; K337-F362 HydrophobicContact CD-CD1 4.46Å; K337-F362 HydrophobicContact CD-CD2 4.41Å; K337-F362 HydrophobicContact CD-CE1 4.5Å; K337-F362 HydrophobicContact CD-CE2 4.43Å; K337-F362 HydrophobicContact CD-CG 4.43Å; K337-F362 HydrophobicContact CD-CZ 4.49Å; K337-F362 HydrophobicContact CG-CD1 4.36Å; K337-F362 HydrophobicContact CG-CD2 4.41Å; K337-F362 HydrophobicContact CG-CE1 3.91Å; K337-F362 HydrophobicContact CG-CE2 3.95Å; K337-F362 HydrophobicContact CG-CZ 3.69Å; K337-F362 WeakPolarHBondContact O-CE2 3.49Å; K337-F362 WeakPolarHBondContact O-CZ 3.28Å; K340-F362 HydrophobicContact CB-CZ 4.35Å; K340-F362 HydrophobicContact CD-CE1 4.34Å; K340-F362 HydrophobicContact CD-CZ 4.14Å; V341-F362 HydrophobicContact CG2-CD2 4.27Å; V341-F362 HydrophobicContact CG2-CE2 3.55Å; V341-F362 HydrophobicContact CG2-CZ 4.38Å; Y358-F362 HydrophobicContact CD1-CD2 4.32Å; Y358-F362 AromaticContact CD2-CD2 3.91Å; Y358-F362 HydrophobicContact CD2-CD2 3.91Å; Y358-F362 HydrophobicContact CD2-CE2 4.04Å; Y358-F362 HydrophobicContact CE1-CD2 4.17Å; Y358-F362 AromaticContact CE2-CD2 3.76Å; Y358-F362 HydrophobicContact CE2-CD2 3.76Å; Y358-F362 AromaticContact CE2-CE2 3.92Å; Y358-F362 HydrophobicContact CE2-CE2 3.92Å; Y358-F362 HydrophobicContact CG-CD2 4.18Å; Y358-F362 AromaticContact CZ-CD2 3.87Å; Y358-F362 PolarHBondContact O-N 3.02Å; F362-E364 HydrophobicContact CB-CG 3.64Å; F362-E364 PolarHBondContact O-N 3.33Å
363G76.9Confident72.5Confident66 Ų6666.3 Ų66.368%0.6836%0.356SS*.SBendtrans77.4-4.5-177.700000114.9K359K359-G363 VanDerWaalsContact O-CA 3.25Å; K359-G363 WeakPolarHBondContact O-CA 3.29Å; K359-G363 PolarHBondContact O-N 3.49Å
364E81.4Confident71Confident78 Ų7868.5 Ų68.536%0.36437%0.367SS..SBendtrans-110.1145.8-178.647.1174-144.500111.3K337 Y358 K359 F362K337-E364 IonicContact NZ-OE1 3.33Å; K337-E364 PolarHBondContact NZ-OE1 2.82Å; K337-E364 IonicContact NZ-OE2 2.79Å; Y358-E364 WeakPolarHBondContact CD1-O 3.41Å; Y358-E364 HydrophobicContact CE1-CG 3.93Å; Y358-E364 PolarHBondContact OH-OE1 2.98Å; K359-E364 WeakPolarHBondContact CA-O 3.42Å; F362-E364 HydrophobicContact CB-CG 3.64Å; F362-E364 PolarHBondContact O-N 3.33Å
365D78.3Confident70Confident106 Ų10670 Ų7057%0.56738%0.378SS*.  trans-69.1139.6172.1-74.9-73.1000110.9K359 P367K359-D365 WeakPolarHBondContact CD-OD1 3.37Å; K359-D365 WeakPolarHBondContact CE-OD1 3.49Å; K359-D365 WeakPolarHBondContact CE-OD2 3.35Å; K359-D365 IonicContact NZ-OD1 3Å; K359-D365 PolarHBondContact NZ-OD1 2.75Å; K359-D365 IonicContact NZ-OD2 2.76Å; K359-D365 PolarHBondContact NZ-OD2 2.85Å; D365-P367 VanDerWaalsContact O-CD 3.28Å; D365-P367 WeakPolarHBondContact O-CD 3.49Å; D365-P367 VanDerWaalsContact O-N 3.15Å
366L78.9Confident69Low11 Ų1169.2 Ų69.26%0.05837%0.372CS..  trans-60.1113.2179.3179.165.7000110.6L334 L338 P355 Y358 Y368 V376 L379L334-L366 HydrophobicContact CD1-CD1 3.93Å; L338-L366 HydrophobicContact CD2-CD1 3.81Å; L338-L366 HydrophobicContact CG-CD1 4.33Å; P355-L366 HydrophobicContact CB-CB 4.38Å; P355-L366 HydrophobicContact CB-CD2 4.41Å; P355-L366 HydrophobicContact CG-CD2 4.31Å; Y358-L366 HydrophobicContact CD1-CB 3.84Å; Y358-L366 HydrophobicContact CD1-CD1 4.08Å; Y358-L366 HydrophobicContact CD2-CD1 3.69Å; Y358-L366 HydrophobicContact CE1-CB 4.36Å; Y358-L366 HydrophobicContact CE1-CD1 4.2Å; Y358-L366 HydrophobicContact CE2-CD1 3.8Å; Y358-L366 HydrophobicContact CG-CB 4.1Å; Y358-L366 HydrophobicContact CG-CD1 3.84Å; L366-Y368 HydrophobicContact CD2-CD1 4.33Å; L366-Y368 HydrophobicContact CG-CD1 4.25Å; L366-Y368 VanDerWaalsContact O-CD1 3.31Å; L366-Y368 WeakPolarHBondContact O-CD1 3.39Å; L366-Y368 PolarHBondContact O-N 3.35Å; L366-V376 HydrophobicContact CD2-CG1 4.06Å; L366-L379 HydrophobicContact CD1-CD2 4.24Å; L366-L379 HydrophobicContact CD2-CD2 4.34Å; L366-L379 HydrophobicContact CG-CD2 4.36Å
367P68.5Low68.3Low29 Ų2969.2 Ų69.219%0.18837%0.366CS..  trans-82.834.9-16433.6-37.3000114.4L334 D365 L369 Q370 W371L334-P367 HydrophobicContact CD2-CG 4.41Å; D365-P367 VanDerWaalsContact O-CD 3.28Å; D365-P367 WeakPolarHBondContact O-CD 3.49Å; D365-P367 VanDerWaalsContact O-N 3.15Å; P367-L369 PolarHBondContact O-N 3.04Å; P367-Q370 HydrophobicContact CB-CB 4.32Å; P367-Q370 WeakPolarHBondContact O-CB 3.27Å; P367-Q370 PolarHBondContact O-N 3.5Å; P367-W371 PolarHBondContact O-N 2.82Å
368Y60.5Low67.3Low57 Ų5770.7 Ų70.722%0.22437%0.373CS..THydrogen-bonded Turntrans-59-42.4-171.571.1-89.3000113.2L366 Q370 W371 G372 F373 V376L366-Y368 HydrophobicContact CD2-CD1 4.33Å; L366-Y368 HydrophobicContact CG-CD1 4.25Å; L366-Y368 VanDerWaalsContact O-CD1 3.31Å; L366-Y368 WeakPolarHBondContact O-CD1 3.39Å; L366-Y368 PolarHBondContact O-N 3.35Å; Y368-Q370 VanDerWaalsContact C-N 3.35Å; Y368-Q370 PolarHBondContact O-N 2.93Å; Y368-W371 PolarHBondContact O-N 3.26Å; Y368-G372 PolarHBondContact O-N 2.8Å; Y368-F373 CarbonylContact C-O 3.19Å; Y368-F373 HydrophobicContact CD2-CB 4.46Å; Y368-F373 WeakPolarHBondContact CD2-O 3.5Å; Y368-F373 WeakPolarHBondContact O-CB 3.48Å; Y368-F373 PolarHBondContact O-N 3.36Å; Y368-V376 HydrophobicContact CD1-CG2 4.04Å; Y368-V376 HydrophobicContact CE1-CG2 3.7Å; Y368-V376 HydrophobicContact CE2-CG2 4.42Å
369L54.3Low66.5Low117 Ų11770.6 Ų70.661%0.61337%0.373SS*.G310 helixtrans-63.5-37.1175.3-70.4169.8000112.9P367 W371 G372 F373P367-L369 PolarHBondContact O-N 3.04Å; L369-W371 PolarHBondContact O-N 2.76Å; L369-G372 PolarHBondContact O-N 2.89Å; L369-F373 WeakPolarHBondContact CA-O 3.42Å
370Q49.9Very low65.7Low162 Ų16266.5 Ų66.576%0.75736%0.355SS*.G310 helixtrans-68.4-26.5-177.7-169.5176.63.400111.5P367 Y368P367-Q370 HydrophobicContact CB-CB 4.32Å; P367-Q370 WeakPolarHBondContact O-CB 3.27Å; P367-Q370 PolarHBondContact O-N 3.5Å; Y368-Q370 VanDerWaalsContact C-N 3.35Å; Y368-Q370 PolarHBondContact O-N 2.93Å
371W48.7Very low64.4Low102 Ų10262.4 Ų62.439%0.38636%0.355SS..G310 helixtrans-101.417.4179.6-605.7000112.5V330 S331 L334 P367 Y368 L369 F373V330-W371 HydrophobicContact CG1-CE3 4.19Å; V330-W371 HydrophobicContact CG1-CZ3 3.99Å; S331-W371 VanDerWaalsContact OG-CH2 3.29Å; S331-W371 WeakPolarHBondContact OG-CH2 3.47Å; L334-W371 HydrophobicContact CB-CE3 4.48Å; L334-W371 HydrophobicContact CB-CH2 3.52Å; L334-W371 HydrophobicContact CB-CZ3 3.41Å; L334-W371 VanDerWaalsContact CB-CZ3 3.41Å; L334-W371 HydrophobicContact CD2-CD2 4.34Å; L334-W371 HydrophobicContact CD2-CE3 3.6Å; L334-W371 HydrophobicContact CD2-CH2 3.89Å; L334-W371 HydrophobicContact CD2-CZ3 3.35Å; L334-W371 HydrophobicContact CG-CH2 4.3Å; L334-W371 HydrophobicContact CG-CZ3 4Å; P367-W371 PolarHBondContact O-N 2.82Å; Y368-W371 PolarHBondContact O-N 3.26Å; L369-W371 PolarHBondContact O-N 2.76Å; W371-F373 HydrophobicContact CB-CD2 4.22Å; W371-F373 HydrophobicContact CB-CE2 4.14Å; W371-F373 WeakPolarHBondContact O-CE2 3.39Å
372G44.6Very low63.2Low61 Ų6163.2 Ų63.263%0.62937%0.367SS*.THydrogen-bonded Turntrans901.4169.800000116.5Y368 L369Y368-G372 PolarHBondContact O-N 2.8Å; L369-G372 PolarHBondContact O-N 2.89Å
373F50.8Low62.4Low32 Ų3260.2 Ų60.214%0.1435%0.354CS..  trans-84.8129.4176.2-56.6-84.5000110.1V330 Y368 L369 W371 S375 E378 L379 A382V330-F373 HydrophobicContact CG2-CE1 4.39Å; V330-F373 HydrophobicContact CG2-CE2 3.77Å; V330-F373 HydrophobicContact CG2-CZ 3.43Å; V330-F373 VanDerWaalsContact CG2-CZ 3.43Å; Y368-F373 CarbonylContact C-O 3.19Å; Y368-F373 HydrophobicContact CD2-CB 4.46Å; Y368-F373 WeakPolarHBondContact CD2-O 3.5Å; Y368-F373 WeakPolarHBondContact O-CB 3.48Å; Y368-F373 PolarHBondContact O-N 3.36Å; L369-F373 WeakPolarHBondContact CA-O 3.42Å; W371-F373 HydrophobicContact CB-CD2 4.22Å; W371-F373 HydrophobicContact CB-CE2 4.14Å; W371-F373 WeakPolarHBondContact O-CE2 3.39Å; F373-S375 VanDerWaalsContact C-N 3.31Å; F373-S375 PolarHBondContact O-N 3Å; F373-E378 HydrophobicContact CD1-CG 4.32Å; F373-L379 HydrophobicContact CB-CB 4.12Å; F373-L379 HydrophobicContact CD1-CB 4.27Å; F373-L379 HydrophobicContact CD1-CD1 4.46Å; F373-L379 HydrophobicContact CD2-CB 4.45Å; F373-L379 HydrophobicContact CD2-CD1 3.9Å; F373-L379 HydrophobicContact CE1-CD1 4.46Å; F373-L379 HydrophobicContact CE2-CD1 3.91Å; F373-L379 HydrophobicContact CG-CB 4Å; F373-L379 HydrophobicContact CG-CD1 4.2Å; F373-L379 HydrophobicContact CZ-CD1 4.2Å; F373-A382 HydrophobicContact CD1-CB 4.31Å; F373-A382 HydrophobicContact CE1-CB 3.56Å; F373-A382 HydrophobicContact CZ-CB 4.35Å
374L47.6Very low61.4Low136 Ų13659.4 Ų59.471%0.71235%0.345SS*.SBendtrans-79-17.4-177.3-51.8175.3000112.3E378L374-E378 WeakPolarHBondContact CA-OE2 3.31Å; L374-E378 WeakPolarHBondContact CB-OE2 3.46Å; L374-E378 PolarHBondContact N-OE2 3.42Å
375S59.4Low60.3Low35 Ų3560.6 Ų60.625%0.24535%0.354CS..SBendtrans-153.2158.1-179.665.10000113.1F373 T377 E378 L379F373-S375 VanDerWaalsContact C-N 3.31Å; F373-S375 PolarHBondContact O-N 3Å; S375-T377 VanDerWaalsContact C-N 3.27Å; S375-T377 VanDerWaalsContact CB-OG1 3.31Å; S375-T377 WeakPolarHBondContact CB-OG1 3.4Å; S375-T377 PolarHBondContact O-N 2.94Å; S375-T377 PolarHBondContact OG-OG1 3.49Å; S375-E378 WeakPolarHBondContact O-CB 3.23Å; S375-E378 PolarHBondContact O-N 2.89Å; S375-E378 VanDerWaalsContact O-N 3.1Å; S375-E378 VanDerWaalsContact OG-CB 3.24Å; S375-E378 WeakPolarHBondContact OG-CB 3.41Å; S375-E378 PolarHBondContact OG-N 3.27Å; S375-E378 VanDerWaalsContact OG-N 3.09Å; S375-L379 PolarHBondContact O-N 3.41Å
376V63.3Low59.4Low17 Ų1755.9 Ų55.910%0.10333%0.329CS..Hα-helixtrans-60.8-39172.7-168.60000110.8V351 L354 P355 L366 Y368 E378 L379 V380V351-V376 HydrophobicContact CG1-CB 4.05Å; V351-V376 HydrophobicContact CG1-CG1 3.94Å; L354-V376 HydrophobicContact CB-CG1 4.41Å; L354-V376 HydrophobicContact CD2-CG1 4.01Å; P355-V376 HydrophobicContact CG-CB 4.44Å; P355-V376 HydrophobicContact CG-CG1 4.07Å; P355-V376 HydrophobicContact CG-CG2 3.55Å; L366-V376 HydrophobicContact CD2-CG1 4.06Å; Y368-V376 HydrophobicContact CD1-CG2 4.04Å; Y368-V376 HydrophobicContact CE1-CG2 3.7Å; Y368-V376 HydrophobicContact CE2-CG2 4.42Å; V376-E378 VanDerWaalsContact C-N 3.29Å; V376-E378 PolarHBondContact O-N 3.28Å; V376-L379 PolarHBondContact O-N 3.39Å; V376-V380 WeakPolarHBondContact O-CG2 3.42Å; V376-V380 PolarHBondContact O-N 2.71Å
377T66.2Low59Low62 Ų6255.8 Ų55.838%0.3833%0.328SS..Hα-helixtrans-56.6-38.9171.828.80000113.1V351 S375 G381V351-T377 HydrophobicContact CB-CG2 4.42Å; V351-T377 HydrophobicContact CG1-CG2 3.62Å; S375-T377 VanDerWaalsContact C-N 3.27Å; S375-T377 VanDerWaalsContact CB-OG1 3.31Å; S375-T377 WeakPolarHBondContact CB-OG1 3.4Å; S375-T377 PolarHBondContact O-N 2.94Å; S375-T377 PolarHBondContact OG-OG1 3.49Å; T377-G381 PolarHBondContact O-N 3.06Å
378E61.5Low58.7Low87 Ų8759.7 Ų59.741%0.40734%0.344SS..Hα-helixtrans-77.3-39.1-179.9-172.7177.1-14500111.8F373 L374 S375 V376 G381 A382F373-E378 HydrophobicContact CD1-CG 4.32Å; L374-E378 WeakPolarHBondContact CA-OE2 3.31Å; L374-E378 WeakPolarHBondContact CB-OE2 3.46Å; L374-E378 PolarHBondContact N-OE2 3.42Å; S375-E378 WeakPolarHBondContact O-CB 3.23Å; S375-E378 PolarHBondContact O-N 2.89Å; S375-E378 VanDerWaalsContact O-N 3.1Å; S375-E378 VanDerWaalsContact OG-CB 3.24Å; S375-E378 WeakPolarHBondContact OG-CB 3.41Å; S375-E378 PolarHBondContact OG-N 3.27Å; S375-E378 VanDerWaalsContact OG-N 3.09Å; V376-E378 VanDerWaalsContact C-N 3.29Å; V376-E378 PolarHBondContact O-N 3.28Å; E378-G381 PolarHBondContact O-N 3.25Å; E378-A382 WeakPolarHBondContact O-CB 3.4Å; E378-A382 PolarHBondContact O-N 3.34Å
379L68.2Low59Low1 Ų159.4 Ų59.41%0.00535%0.346CS..Hα-helixtrans-59.8-47.1170.8173.559.5000111.3V330 L334 L338 L366 F373 S375 V376 A382 L383V330-L379 HydrophobicContact CG1-CD1 4.24Å; V330-L379 HydrophobicContact CG2-CD1 3.84Å; L334-L379 HydrophobicContact CD2-CD2 4.42Å; L338-L379 HydrophobicContact CD1-CD2 4.26Å; L366-L379 HydrophobicContact CD1-CD2 4.24Å; L366-L379 HydrophobicContact CD2-CD2 4.34Å; L366-L379 HydrophobicContact CG-CD2 4.36Å; F373-L379 HydrophobicContact CB-CB 4.12Å; F373-L379 HydrophobicContact CD1-CB 4.27Å; F373-L379 HydrophobicContact CD1-CD1 4.46Å; F373-L379 HydrophobicContact CD2-CB 4.45Å; F373-L379 HydrophobicContact CD2-CD1 3.9Å; F373-L379 HydrophobicContact CE1-CD1 4.46Å; F373-L379 HydrophobicContact CE2-CD1 3.91Å; F373-L379 HydrophobicContact CG-CB 4Å; F373-L379 HydrophobicContact CG-CD1 4.2Å; F373-L379 HydrophobicContact CZ-CD1 4.2Å; S375-L379 PolarHBondContact O-N 3.41Å; V376-L379 PolarHBondContact O-N 3.39Å; L379-A382 PolarHBondContact O-N 3.02Å; L379-L383 HydrophobicContact CD1-CD1 3.97Å; L379-L383 HydrophobicContact CD1-CG 4.33Å; L379-L383 HydrophobicContact CG-CD1 4.27Å; L379-L383 VanDerWaalsContact O-CG 3.3Å; L379-L383 WeakPolarHBondContact O-CG 3.46Å; L379-L383 PolarHBondContact O-N 3.06Å; L379-L383 VanDerWaalsContact O-N 3.13Å
380V68.6Low59.4Low3 Ų361.6 Ų61.62%0.01835%0.346CS..Hα-helixtrans-66-38.5177.2176.10000111.3L354 V376 A382 L383 G384 F387 L389 V402L354-V380 HydrophobicContact CD2-CG2 3.6Å; V376-V380 WeakPolarHBondContact O-CG2 3.42Å; V376-V380 PolarHBondContact O-N 2.71Å; V380-A382 PolarHBondContact O-N 3.39Å; V380-L383 CarbonylContact O-C 3.55Å; V380-L383 WeakPolarHBondContact O-CA 3.23Å; V380-L383 PolarHBondContact O-N 2.92Å; V380-G384 PolarHBondContact O-N 2.79Å; V380-F387 HydrophobicContact CG1-CB 4.3Å; V380-L389 HydrophobicContact CG1-CD1 4.11Å; V380-L389 HydrophobicContact CG1-CD2 3.84Å; V380-L389 HydrophobicContact CG1-CG 3.85Å; V380-V402 HydrophobicContact CG1-CG1 3.82Å; V380-V402 HydrophobicContact CG1-CG2 3.97Å; V380-V402 HydrophobicContact CG2-CG2 4.19Å
381G59.2Low59.7Low49 Ų4956.5 Ų56.551%0.50533%0.328SS..Hα-helixtrans-63.1-37.3174.400000113.6T377 E378 L383 G384T377-G381 PolarHBondContact O-N 3.06Å; E378-G381 PolarHBondContact O-N 3.25Å; G381-L383 PolarHBondContact O-N 2.81Å; G381-G384 PolarHBondContact O-N 3.27Å
382A58Low59.9Low54 Ų5453.1 Ų53.145%0.44632%0.321SS..Hα-helixtrans-71.7-14.4172.200000113.5F373 E378 L379 V380F373-A382 HydrophobicContact CD1-CB 4.31Å; F373-A382 HydrophobicContact CE1-CB 3.56Å; F373-A382 HydrophobicContact CZ-CB 4.35Å; E378-A382 WeakPolarHBondContact O-CB 3.4Å; E378-A382 PolarHBondContact O-N 3.34Å; L379-A382 PolarHBondContact O-N 3.02Å; V380-A382 PolarHBondContact O-N 3.39Å
383L65.2Low60.3Low0 Ų060 Ų600%034%0.337CS..THydrogen-bonded Turntrans-102.828.1174.4-65.6178.4000112.6V330 K335 L338 L379 V380 G381 D385 I386 F387V330-L383 HydrophobicContact CB-CD2 3.94Å; V330-L383 HydrophobicContact CG1-CD1 4.49Å; V330-L383 HydrophobicContact CG1-CD2 4.12Å; V330-L383 HydrophobicContact CG2-CD2 3.98Å; V330-L383 HydrophobicContact CG2-CG 4.43Å; K335-L383 HydrophobicContact CD-CD2 4.18Å; K335-L383 HydrophobicContact CG-CD2 3.68Å; L338-L383 HydrophobicContact CD1-CD1 3.52Å; L379-L383 HydrophobicContact CD1-CD1 3.97Å; L379-L383 HydrophobicContact CD1-CG 4.33Å; L379-L383 HydrophobicContact CG-CD1 4.27Å; L379-L383 VanDerWaalsContact O-CG 3.3Å; L379-L383 WeakPolarHBondContact O-CG 3.46Å; L379-L383 PolarHBondContact O-N 3.06Å; L379-L383 VanDerWaalsContact O-N 3.13Å; V380-L383 CarbonylContact O-C 3.55Å; V380-L383 WeakPolarHBondContact O-CA 3.23Å; V380-L383 PolarHBondContact O-N 2.92Å; G381-L383 PolarHBondContact O-N 2.81Å; L383-D385 PolarHBondContact O-N 3.25Å; L383-D385 VanDerWaalsContact O-N 3.07Å; L383-I386 PolarHBondContact O-N 3.22Å; L383-F387 HydrophobicContact CB-CD2 3.94Å; L383-F387 HydrophobicContact CB-CE2 4.4Å; L383-F387 HydrophobicContact CD1-CD2 4.45Å; L383-F387 HydrophobicContact CD1-CE2 4.18Å; L383-F387 PolarHBondContact O-N 2.91Å
384G57.2Low60.2Low49 Ų4962.4 Ų62.451%0.50535%0.352SS..THydrogen-bonded Turntrans-63-5172.600000114.9V380 G381 I386V380-G384 PolarHBondContact O-N 2.79Å; G381-G384 PolarHBondContact O-N 3.27Å; G384-I386 VanDerWaalsContact C-N 3.29Å
385D56.7Low60.2Low103 Ų10364.8 Ų64.855%0.55137%0.365SS*.THydrogen-bonded Turntrans-80.5-916769.2-44.3000113.3K335 L383K335-D385 IonicContact NZ-OD1 3.42Å; K335-D385 PolarHBondContact NZ-OD1 2.84Å; K335-D385 IonicContact NZ-OD2 3.25Å; K335-D385 PolarHBondContact NZ-OD2 2.93Å; L383-D385 PolarHBondContact O-N 3.25Å; L383-D385 VanDerWaalsContact O-N 3.07Å
386I60.4Low59.6Low7 Ų766.5 Ų66.54%0.03638%0.377CS..THydrogen-bonded Turntrans-130-39.7-173.4-66-177.2000112.4K335 L383 G384 L405K335-I386 HydrophobicContact CB-CD1 3.69Å; K335-I386 HydrophobicContact CD-CD1 3.75Å; K335-I386 HydrophobicContact CG-CD1 3.71Å; L383-I386 PolarHBondContact O-N 3.22Å; G384-I386 VanDerWaalsContact C-N 3.29Å; I386-L405 PolarHBondContact O-N 3.44Å; I386-L405 VanDerWaalsContact O-N 3.1Å
387F71.3Confident58.9Low8 Ų868.8 Ų68.84%0.03540%0.404CS..EExtended strand (participates in β ladder)trans-124149.5-174-54.6-66.9000113.2L338 R339 V342 V380 L383 V402 V403L338-F387 HydrophobicContact CB-CE2 3.97Å; L338-F387 HydrophobicContact CB-CZ 3.88Å; R339-F387 HydrophobicContact CB-CZ 4.37Å; V342-F387 HydrophobicContact CB-CD1 4.24Å; V342-F387 HydrophobicContact CB-CE1 3.73Å; V342-F387 HydrophobicContact CG1-CD1 4.1Å; V342-F387 HydrophobicContact CG1-CE1 4.07Å; V342-F387 HydrophobicContact CG2-CD1 4.04Å; V342-F387 HydrophobicContact CG2-CE1 3.63Å; V342-F387 HydrophobicContact CG2-CZ 4.11Å; V380-F387 HydrophobicContact CG1-CB 4.3Å; L383-F387 HydrophobicContact CB-CD2 3.94Å; L383-F387 HydrophobicContact CB-CE2 4.4Å; L383-F387 HydrophobicContact CD1-CD2 4.45Å; L383-F387 HydrophobicContact CD1-CE2 4.18Å; L383-F387 PolarHBondContact O-N 2.91Å; F387-V402 HydrophobicContact CB-CG1 3.67Å; F387-V402 HydrophobicContact CD1-CG1 3.95Å; F387-V402 HydrophobicContact CD2-CG1 4.45Å; F387-V402 HydrophobicContact CG-CG1 3.77Å; F387-V403 CarbonylContact C-O 3.54Å; F387-V403 VanDerWaalsContact CA-O 3.27Å; F387-V403 WeakPolarHBondContact CA-O 3.45Å
388H61.8Low58.1Low112 Ų11271.4 Ų71.452%0.51942%0.416SS..EExtended strand (participates in β ladder)trans-109136.6170.1-164.4-72000110.8V403 L405H388-V403 PolarHBondContact N-O 3.42Å; H388-V403 PolarHBondContact O-N 3Å; H388-L405 HydrophobicContact CB-CD2 3.91Å
389L66.2Low57.6Low51 Ų5169.6 Ų69.627%0.26741%0.413SS..EExtended strand (participates in β ladder)trans-92.9117.8171.2-76164.4000110V351 V380 W400 M401 V402V351-L389 HydrophobicContact CG2-CD2 3.38Å; V380-L389 HydrophobicContact CG1-CD1 4.11Å; V380-L389 HydrophobicContact CG1-CD2 3.84Å; V380-L389 HydrophobicContact CG1-CG 3.85Å; L389-W400 HydrophobicContact CB-CE3 4.39Å; L389-W400 HydrophobicContact CD2-CB 4.32Å; L389-M401 CarbonylContact C-O 3.51Å; L389-M401 WeakPolarHBondContact CA-O 3.31Å; L389-V402 HydrophobicContact CD2-CG2 4.01Å
390R63.7Low57.4Low163 Ų16375.1 Ų75.162%0.61543%0.434SS*.EExtended strand (participates in β ladder)trans-106.8138.4173.3-160.5-165.9-68.8-156.81.2109.3M401R390-M401 PolarHBondContact N-O 2.89Å; R390-M401 PolarHBondContact O-N 3.42Å
391S55.2Low57.5Low55 Ų5577.4 Ų77.439%0.38545%0.445SS..EExtended strand (participates in β ladder)trans-70.4138.5161.9-173.70000108.9
392A53.8Low58.3Low30 Ų3075 Ų7525%0.24842%0.421CS..  trans-60.8150.2159.400000110D394 S399A392-D394 VanDerWaalsContact C-N 3.29Å; A392-D394 WeakPolarHBondContact CB-OD1 3.37Å; A392-D394 PolarHBondContact O-N 2.88Å; A392-S399 PolarHBondContact N-O 3.06Å
393E52.6Low59Low205 Ų20573.8 Ų73.896%0.95841%0.407SS*.SBendtrans-94.935.6178.6-64.5-173.1152.500112
394D48.8Very low59.4Low83 Ų8374 Ų7444%0.44441%0.409SS..SBendtrans-107.6150.3170.263.1-2.9000112.2A392 S396A392-D394 VanDerWaalsContact C-N 3.29Å; A392-D394 WeakPolarHBondContact CB-OD1 3.37Å; A392-D394 PolarHBondContact O-N 2.88Å; D394-S396 PolarHBondContact O-N 3.49Å
395N46.9Very low59.7Low186 Ų18675.6 Ų75.6100%0.99541%0.405SS*.SBendtrans-7215.4-170.6-91-22.5000114.9
396S47.7Very low59.6Low72 Ų7278.2 Ų78.250%0.50341%0.407SS..SBendtrans-113.272.4170.543.30000108.9D394 N398D394-S396 PolarHBondContact O-N 3.49Å; S396-N398 PolarHBondContact O-N 3.05Å
397G48.5Very low59.3Low65 Ų6582.4 Ų82.467%0.6743%0.43SS*.THydrogen-bonded Turntrans-6564.6-169.400000115.8
398N48.1Very low57.9Low117 Ų11792.8 Ų92.863%0.62647%0.469SS*.THydrogen-bonded Turntrans-144.70.9-176.2-139.9106.7000113.2S396S396-N398 PolarHBondContact O-N 3.05Å
399S50.9Low56.9Low49 Ų4994.7 Ų94.734%0.34348%0.483SS..  trans-101.3101.5176.9-66.50000110.8A392A392-S399 PolarHBondContact N-O 3.06Å
400W64.7Low55.8Low116 Ų11698.8 Ų98.844%0.43951%0.505SS..EExtended strand (participates in β ladder)trans-95.7131174.8-64.291.4000110.6S350 V351 L389S350-W400 CarbonylContact C-O 3.54Å; S350-W400 WeakPolarHBondContact CA-O 3.25Å; V351-W400 HydrophobicContact CB-CB 4.48Å; V351-W400 HydrophobicContact CG2-CB 3.79Å; V351-W400 WeakPolarHBondContact CG2-O 3.35Å; V351-W400 PolarHBondContact N-O 3.48Å; L389-W400 HydrophobicContact CB-CE3 4.39Å; L389-W400 HydrophobicContact CD2-CB 4.32Å
401M70.1Confident54.3Low51 Ų5199.6 Ų99.625%0.25152%0.518SS..EExtended strand (participates in β ladder)trans-108.9132.3-179.5-64.3-63.9-71.500111.2G348 L389 R390G348-M401 WeakPolarHBondContact O-CE 3.44Å; L389-M401 CarbonylContact C-O 3.51Å; L389-M401 WeakPolarHBondContact CA-O 3.31Å; R390-M401 PolarHBondContact N-O 2.89Å; R390-M401 PolarHBondContact O-N 3.42Å
402V75.9Confident53.4Low0 Ų0105.5 Ų105.50%054%0.539CS..EExtended strand (participates in β ladder)trans-95.7124.4176.6-169.70000109.4V342 G348 I349 V351 L354 V380 F387 L389V342-V402 HydrophobicContact CG1-CG1 4.43Å; V342-V402 HydrophobicContact CG2-CB 4.43Å; V342-V402 HydrophobicContact CG2-CG1 3.9Å; G348-V402 CarbonylContact C-O 3.44Å; G348-V402 WeakPolarHBondContact CA-O 3.15Å; I349-V402 PolarHBondContact N-O 2.95Å; I349-V402 WeakPolarHBondContact O-CB 3.4Å; I349-V402 PolarHBondContact O-N 3.03Å; V351-V402 HydrophobicContact CB-CG2 4.4Å; V351-V402 HydrophobicContact CG2-CG2 3.44Å; V351-V402 VanDerWaalsContact CG2-CG2 3.44Å; L354-V402 HydrophobicContact CD2-CG2 4.33Å; V380-V402 HydrophobicContact CG1-CG1 3.82Å; V380-V402 HydrophobicContact CG1-CG2 3.97Å; V380-V402 HydrophobicContact CG2-CG2 4.19Å; F387-V402 HydrophobicContact CB-CG1 3.67Å; F387-V402 HydrophobicContact CD1-CG1 3.95Å; F387-V402 HydrophobicContact CD2-CG1 4.45Å; F387-V402 HydrophobicContact CG-CG1 3.77Å; L389-V402 HydrophobicContact CD2-CG2 4.01Å
403V73.2Confident52.9Low27 Ų27108.5 Ų108.516%0.16456%0.556CS.*EExtended strand (participates in β ladder)trans-127.8141.5179.9-166.50000109.4F387 H388F387-V403 CarbonylContact C-O 3.54Å; F387-V403 VanDerWaalsContact CA-O 3.27Å; F387-V403 WeakPolarHBondContact CA-O 3.45Å; H388-V403 PolarHBondContact N-O 3.42Å; H388-V403 PolarHBondContact O-N 3Å
404D74.4Confident51.6Low6 Ų6102.6 Ų102.63%0.03255%0.55CS.*EExtended strand (participates in β ladder)trans-68.8136.4171.9-170.2-53.4000109.8R339 R406R339-D404 WeakPolarHBondContact CG-OD2 3.29Å; R339-D404 IonicContact CZ-OD2 3.72Å; R339-D404 IonicContact NH1-OD1 2.7Å; R339-D404 PolarHBondContact NH1-OD1 3.22Å; R339-D404 IonicContact NH1-OD2 2.86Å; R339-D404 PolarHBondContact NH1-OD2 2.76Å; D404-R406 PolarHBondContact O-N 3.4Å; D404-R406 WeakPolarHBondContact OD1-CB 3.47Å; D404-R406 VanDerWaalsContact OD1-CG 3.3Å; D404-R406 WeakPolarHBondContact OD1-CG 3.42Å; D404-R406 IonicContact OD1-CZ 3.78Å; D404-R406 PolarHBondContact OD1-N 2.98Å; D404-R406 IonicContact OD1-NE 3.58Å; D404-R406 PolarHBondContact OD1-NE 3.31Å; D404-R406 IonicContact OD1-NH2 2.73Å; D404-R406 IonicContact OD2-CZ 2.65Å; D404-R406 IonicContact OD2-NE 3.71Å; D404-R406 PolarHBondContact OD2-NE 2.8Å; D404-R406 IonicContact OD2-NH2 3.97Å; D404-R406 PolarHBondContact OD2-NH2 3.13Å
405L62.1Low50.6Low82 Ų82106.4 Ų106.443%0.42956%0.563SS.*THydrogen-bonded Turntrans-62.5-13.1-178.1-74.5167.3000114.3I386 H388I386-L405 PolarHBondContact O-N 3.44Å; I386-L405 VanDerWaalsContact O-N 3.1Å; H388-L405 HydrophobicContact CB-CD2 3.91Å
406R55.6Low49.7Very low158 Ų158106.9 Ų106.960%0.59656%0.559SS**THydrogen-bonded Turntrans-87.7-13-174.2-62.5172.4-62.214710.8115.2R339 D404 R408R339-R406 VanDerWaalsContact NH1-NE 3.18Å; D404-R406 PolarHBondContact O-N 3.4Å; D404-R406 WeakPolarHBondContact OD1-CB 3.47Å; D404-R406 VanDerWaalsContact OD1-CG 3.3Å; D404-R406 WeakPolarHBondContact OD1-CG 3.42Å; D404-R406 IonicContact OD1-CZ 3.78Å; D404-R406 PolarHBondContact OD1-N 2.98Å; D404-R406 IonicContact OD1-NE 3.58Å; D404-R406 PolarHBondContact OD1-NE 3.31Å; D404-R406 IonicContact OD1-NH2 2.73Å; D404-R406 IonicContact OD2-CZ 2.65Å; D404-R406 IonicContact OD2-NE 3.71Å; D404-R406 PolarHBondContact OD2-NE 2.8Å; D404-R406 IonicContact OD2-NH2 3.97Å; D404-R406 PolarHBondContact OD2-NH2 3.13Å; R406-R408 PolarHBondContact O-N 3.44Å; R406-R408 VanDerWaalsContact O-N 3.16Å
407D52.8Low48.8Very low95 Ų95111 Ų11151%0.50857%0.571SS.*G310 helixtrans-80.213.2-178.7-72.7-50.1000114.2D409D407-D409 VanDerWaalsContact C-N 3.34Å; D407-D409 PolarHBondContact O-N 3.4Å
408R42.7Very low47.7Very low226 Ų226116.1 Ų116.185%0.85358%0.581SS**G310 helixtrans-78.8-10-172-152.5-179.6175.3-158.5-5115R406 N410R406-R408 PolarHBondContact O-N 3.44Å; R406-R408 VanDerWaalsContact O-N 3.16Å; R408-N410 VanDerWaalsContact C-N 3.3Å; R408-N410 PolarHBondContact O-N 3.31Å
409D40.3Very low46.6Very low152 Ų152118.1 Ų118.181%0.81359%0.592SS**G310 helixtrans-82.40.4-176.1-66.9-17.5000114.3D407D407-D409 VanDerWaalsContact C-N 3.34Å; D407-D409 PolarHBondContact O-N 3.4Å
410N42.8Very low45.4Very low137 Ų137118.6 Ų118.673%0.73360%0.604SS**SBendtrans-117.344.1-170.1-74.1-48.7000115.6R408R408-N410 VanDerWaalsContact C-N 3.3Å; R408-N410 PolarHBondContact O-N 3.31Å
411M33.9Very low43.6Very low179 Ų179118.4 Ų118.488%0.88262%0.621SS**  trans-157.5127.5155.5-159.969.878.200112
412E34.4Very low41.5Very low179 Ų179121.8 Ų121.884%0.83665%0.645SS**PPolyproline II helixtrans-88.1160.9-180-90.6-114.2115.600113.8
413P45.3Very low39.1Very low93 Ų93129.1 Ų129.160%0.60468%0.684SS**PPolyproline II helixtrans-94.3155.6-176.437.5-34.6000114.4
414G25.1Very low36.7Very low81 Ų81133 Ų13384%0.83571%0.707SS**PPolyproline II helixtrans-101124169.300000112.3
415F27.8Very low34.3Very low164 Ų164139.7 Ų139.772%0.71974%0.743SS**PPolyproline II helixtrans-84.3152.7174.1-85.8-106.5000111.9
416E27Very low32.5Very low195 Ų195143 Ų14391%0.91176%0.76SS**  -163144.2103.5-104.7177.4-168.700111.7
417E29.5Very low31.3Very low160 Ų160141.3 Ų141.375%0.74877%0.769SS**  trans-104.1170.5178.8-59.9177.1117.400110.4
418I25.9Very low29.8Very low172 Ų172140.1 Ų140.188%0.88278%0.779SS**  trans152.7138.2146-84.1155.9000109.2
419D24.3Very low28.9Very low159 Ų159139.3 Ų139.385%0.8578%0.782SS**  cis-168.2172.6-28.3-17315.3000106
420G25.4Very low28Very low59 Ų59136.2 Ų136.261%0.60877%0.772SS**  trans103.697.1154.300000117.4
421S27.3Very low27.2Very low112 Ų112139.2 Ų139.278%0.78377%0.774SS**  trans-43.8163.816056.20000115.5
422T26Very low26.7Very low122 Ų122139.3 Ų139.375%0.74877%0.766SS**  cis-154.8127.740.442.90000115.6
423D24.4Very low26.1Very low154 Ų154140.4 Ų140.482%0.82477%0.769SS**  56.7149.4116.9-139.3-4.4000124.3
424V23.8Very low25.3Very low108 Ų108141.2 Ų141.266%0.65577%0.772SS**  trans84.2115.7159.8-174.30000122
425N22.8Very low25.3Very low147 Ų147143.6 Ų143.679%0.78677%0.765SS**  trans73.596.9148.2-73.9-12000124.6
426I25.7Very low25.1Very low152 Ų152144.4 Ų144.478%0.77977%0.771SS**  -2.7144.5107.5-63.2169000116
427P30Very low25.9Very low121 Ų121143.2 Ų143.279%0.78677%0.765SS**  cis-132.9169.111.934.6-15.6000117.2
428G21.8Very low25.9Very low70 Ų70139.1 Ų139.172%0.72275%0.754SS**  102.6103.9117.500000120.9
429K23Very low26.2Very low210 Ų210137.4 Ų137.491%0.91375%0.746SS**  trans63.9130.9140.5-87.9-174.7176.8-178.40121.1
430S20.6Very low26.3Very low86 Ų86140 Ų14060%0.60174%0.744SS**  91.571.4124.8-171.70000120.3
431Y26.4Very low26.5Very low200 Ų200144.2 Ų144.278%0.78475%0.748SS**  trans66.1172.9148.3-43.3-67.4000116.5
432Y23.8Very low26.4Very low181 Ų181146 Ų14671%0.7175%0.749SS**  cis-139.3162.1-3.2-126.7-68.3000107.1
433F21.2Very low26.3Very low203 Ų203143.9 Ų143.989%0.8975%0.751SS**  trans-154142.3138.1-110.5-71.1000111.2
434T28.7Very low26.2Very low110 Ų110141.4 Ų141.468%0.67575%0.746SS**  trans-127.6149.2166.2-42.40000106.3
435L25.7Very low26.3Very low130 Ų130143.9 Ų143.968%0.68175%0.75SS**  trans74.4111168.8-151.472.9000116.4E437L435-E437 HydrophobicContact CD1-CB 3.75Å; L435-E437 HydrophobicContact CD2-CB 4.16Å; L435-E437 HydrophobicContact CG-CB 3.83Å
436E23Very low26.3Very low182 Ų182142.8 Ų142.885%0.8575%0.749SS**  -104.3118.6127.9-86.6-160.8117.200107.1
437E43.6Very low26.2Very low169 Ų169142 Ų14279%0.7975%0.751SS**  trans-133.2107.5162.9-177.2175.7-120.700104.2L435L435-E437 HydrophobicContact CD1-CB 3.75Å; L435-E437 HydrophobicContact CD2-CB 4.16Å; L435-E437 HydrophobicContact CG-CB 3.83Å
438S31.2Very low26Very low75 Ų75140 Ų14052%0.52475%0.745SS.*  trans-139.1121-156.6-62.50000110.9
439L30.3Very low26.1Very low135 Ų135141 Ų14171%0.70774%0.741SS**  179.9127.497.6-98.7136.9000111.3
440W27.6Very low26.2Very low213 Ų213137.7 Ų137.781%0.80773%0.733SS**  trans66.9148.2171.3-47.5117.3000116.7
441E29.6Very low26.6Very low148 Ų148140.3 Ų140.369%0.69274%0.74SS**  cis-160.8163.1-25.7-173.3166.7-127.700107.8
442N25.4Very low26.9Very low150 Ų150138.1 Ų138.180%0.80274%0.737SS**  trans5.7137164.8-64.7-31.4000120.4
443G23.6Very low27.2Very low77 Ų77135.2 Ų135.279%0.79473%0.734SS**  trans164.1105.5138.700000118
444S23.3Very low27.6Very low102 Ų102130.8 Ų130.871%0.71372%0.72SS**  trans-27130.9159.5-96.50000117.4
445E25.2Very low27.6Very low160 Ų160132.5 Ų132.575%0.74872%0.72SS**  57.8140.8115.4-62.4177.112200122.8
446T22.9Very low27.8Very low125 Ų125132.7 Ų132.777%0.76772%0.721SS**  trans100.5137.2135.460.60000122.6
447V24.1Very low28Very low136 Ų136132.3 Ų132.382%0.82472%0.719SS**  trans67.5143.9160.3-132.50000120.2
448A23.9Very low27Very low78 Ų78133.5 Ų133.565%0.64572%0.722SS**  trans79.8123.3150.200000114.3
449S24.2Very low26.8Very low91 Ų91134.3 Ų134.364%0.63673%0.726SS**  86.1133.784.171.10000111.7
450D25.1Very low26.8Very low140 Ų140132.7 Ų132.775%0.74973%0.727SS**  cis-155.8-177.7-9.7-95.8-31.8000106.2
451D29.6Very low27Very low141 Ų141131.4 Ų131.475%0.75473%0.73SS**  trans55.8117.7142.5-72.2-8.8000121.9
452E32.3Very low26.9Very low155 Ų155130.4 Ų130.472%0.72474%0.739SS**  90.8114.1127.7-73.4-155.6148.100121.3
453N30.4Very low27.3Very low120 Ų120130.8 Ų130.864%0.64274%0.741SS**  73.8136.9124.6-56.6-15.2000118.4
454N30.8Very low27.5Very low110 Ų110134.3 Ų134.359%0.58874%0.74SS**  cis-145.3143.712.6-134.532.4000112.4
455E28.7Very low27.7Very low145 Ų145137.9 Ų137.968%0.67875%0.745SS**  34.8139.7125.4-62.7-176.814800119.8
456L29.4Very low28.2Very low135 Ų135138.8 Ų138.871%0.70775%0.75SS**  cis-135.2123.823.2-69.4163.8000109.7
457E26.7Very low28.3Very low173 Ų173141.4 Ų141.481%0.80876%0.755SS**  70.8151.893.9-71-159.3127.400117.3
458F22.5Very low28.8Very low195 Ų195140.7 Ų140.786%0.85575%0.751SS**  -154.1173.5-56.6-163.7-108000108.6
459C26.6Very low29.3Very low91 Ų91143 Ų14362%0.61576%0.76SS**  trans-86.8147.9-179.8-710000114.7
460S31.3Very low29.7Very low102 Ų102146.7 Ų146.771%0.71377%0.767SS**  trans65.9138.9135.9-66.50000122.7
461Q32.4Very low30.1Very low186 Ų186147.7 Ų147.787%0.86977%0.769SS**  trans67.9108.7148.8-67.8169.8-0.200119.8
462S26.4Very low30.3Very low127 Ų127151.7 Ų151.789%0.88878%0.775SS**  -162.2160.1108.733.90000112.7
463N33.8Very low30.6Very low158 Ų158150 Ų15085%0.84578%0.777SS**  trans-86.2122.9-163.418016.2000113
464I28.5Very low30.6Very low150 Ų150148.7 Ų148.777%0.76978%0.783SS**  trans-138.5113.4167.7-61.3-176.6000111.1
465Q27.1Very low30.8Very low177 Ų177151.9 Ų151.983%0.82780%0.797SS**  trans40.4149.3152.1-79.8177.6-52.500123.9
466E35.2Very low31.2Very low180 Ų180152.9 Ų152.984%0.84180%0.802SS**  trans-63.7139.8179.5-56.2156.710500113.9
467M25.6Very low31.4Very low179 Ų179152.7 Ų152.788%0.88281%0.806SS**  trans-145.8139.5130.7-79.4-150.574.800109.6
468T33.6Very low31.7Very low121 Ų121152 Ų15274%0.74280%0.802SS**  trans-76.4150.9169.347.30000111.1
469P34.7Very low32.6Very low126 Ų126147.2 Ų147.282%0.81879%0.793SS**  -118.9147128.4-5.725.6000112
470E33.3Very low33.4Very low170 Ų170152.8 Ų152.879%0.79480%0.801SS**  trans-84.8176.2-177.4-57.1175.312000113.2
471M33.4Very low34.3Very low160 Ų160150.8 Ų150.879%0.78879%0.787SS**  trans61.287.3156.2-75.1174.940.800118.5
472Y34.4Very low35.9Very low226 Ų226144.4 Ų144.489%0.88676%0.762SS**  -120132.2118.5-71.1-84.5000108.6A474Y472-A474 PolarHBondContact O-N 2.94Å; Y472-A474 VanDerWaalsContact O-N 3.13Å
473P37.1Very low38.4Very low118 Ų118139 Ų13977%0.76672%0.723SS**  trans-68.8113.2174.528.2-32.3000108.8M475P473-M475 PolarHBondContact O-N 3.11Å; P473-M475 VanDerWaalsContact O-N 3.12Å
474A31.7Very low40.9Very low93 Ų93132.5 Ų132.577%0.76969%0.69SS**  trans-59.8117.7169.700000108.4Y472 Q476Y472-A474 PolarHBondContact O-N 2.94Å; Y472-A474 VanDerWaalsContact O-N 3.13Å; A474-Q476 PolarHBondContact O-N 2.71Å
475M34.8Very low43.7Very low178 Ų178132.6 Ų132.688%0.87769%0.691SS**  trans-63.2103167.8-75.7-175.565.400107.6P473 V477P473-M475 PolarHBondContact O-N 3.11Å; P473-M475 VanDerWaalsContact O-N 3.12Å; M475-V477 VanDerWaalsContact C-N 3.34Å; M475-V477 PolarHBondContact O-N 3.08Å
476Q37.6Very low46.7Very low165 Ų165126.7 Ų126.777%0.77167%0.665SS**  trans-60100.6169.2-82.4-179.2-31.600108.1A474 H478A474-Q476 PolarHBondContact O-N 2.71Å; Q476-H478 VanDerWaalsContact C-N 3.28Å; Q476-H478 PolarHBondContact O-N 2.65Å; Q476-H478 PolarHBondContact O-ND1 2.96Å
477V32.8Very low49.4Very low131 Ų131118.2 Ų118.279%0.79463%0.626SS**  trans-6397.4166.9178.30000105.8M475 S479M475-V477 VanDerWaalsContact C-N 3.34Å; M475-V477 PolarHBondContact O-N 3.08Å; V477-S479 PolarHBondContact O-N 2.87Å
478H33.6Very low52.6Low158 Ų158109.8 Ų109.873%0.73158%0.584SS**  trans-56.3129.4178.8-74.643.5000108.1Q476 R480Q476-H478 VanDerWaalsContact C-N 3.28Å; Q476-H478 PolarHBondContact O-N 2.65Å; Q476-H478 PolarHBondContact O-ND1 2.96Å; H478-R480 PolarHBondContact O-N 3.05Å
479S40.7Very low55.2Low96 Ų96107.3 Ų107.367%0.67156%0.564SS**  trans-51.5106.2-174.1-59.70000110.6V477 S481V477-S479 PolarHBondContact O-N 2.87Å; S479-S481 PolarHBondContact O-N 3.24Å
480R43.3Very low57.5Low207 Ų207104.2 Ų104.278%0.78154%0.541SS*.  trans-56.7143.2171.7-82.9-176.4166.7-176.7-4.8109.3H478H478-R480 PolarHBondContact O-N 3.05Å
481S49.9Very low60Low60 Ų6099.1 Ų99.142%0.4252%0.517SS..  trans-46.9138.6176.853.20000110.7S479 L483S479-S481 PolarHBondContact O-N 3.24Å; S481-L483 PolarHBondContact O-N 2.88Å; S481-L483 PolarHBondContact OG-O 3.03Å; S481-L483 VanDerWaalsContact OG-O 3.05Å
482P67Low62.4Low53 Ų5394.6 Ų94.634%0.34449%0.491SS..SBendtrans-62.1-29.4171.824.7-30.9000111.7I725P482-I725 HydrophobicContact CG-CG2 3.59Å
483L78.1Confident65.1Low12 Ų1283.9 Ų83.96%0.06345%0.449CS..SBendtrans-73.7138.4178.6-63.1174.2000112.2S481 L554 F557 F607S481-L483 PolarHBondContact O-N 2.88Å; S481-L483 PolarHBondContact OG-O 3.03Å; S481-L483 VanDerWaalsContact OG-O 3.05Å; L483-L554 HydrophobicContact CD2-CD1 3.76Å; L483-L554 HydrophobicContact CD2-CG 4.25Å; L483-L554 HydrophobicContact CG-CD1 4.46Å; L483-F557 HydrophobicContact CD1-CE1 4.2Å; L483-F557 HydrophobicContact CD1-CE2 3.62Å; L483-F557 HydrophobicContact CD1-CZ 3.4Å; L483-F607 HydrophobicContact CD1-CZ 4.35Å; L483-F607 HydrophobicContact CD2-CD2 4.15Å; L483-F607 HydrophobicContact CD2-CE2 3.35Å; L483-F607 HydrophobicContact CD2-CZ 3.64Å
484P86.9Confident67.6Low23 Ų2381.8 Ų81.815%0.14943%0.432CS..  trans-57.1135.9168.9-23.633.8000112D486 A487 R550 Y551P484-D486 WeakPolarHBondContact CB-OD1 3.15Å; P484-D486 PolarHBondContact O-N 2.7Å; P484-A487 HydrophobicContact CB-CB 4.28Å; P484-A487 WeakPolarHBondContact O-CB 3.41Å; P484-A487 PolarHBondContact O-N 3.42Å; P484-R550 VanDerWaalsContact CD-O 3.27Å; P484-R550 WeakPolarHBondContact CD-O 3.38Å; P484-R550 WeakPolarHBondContact CG-O 3.44Å; P484-Y551 HydrophobicContact CB-CD1 4.49Å; P484-Y551 HydrophobicContact CB-CE1 3.82Å; P484-Y551 HydrophobicContact CB-CE2 4.23Å; P484-Y551 HydrophobicContact CG-CD1 4.11Å; P484-Y551 HydrophobicContact CG-CD2 4.04Å; P484-Y551 HydrophobicContact CG-CE1 3.89Å; P484-Y551 HydrophobicContact CG-CE2 3.85Å; P484-Y551 HydrophobicContact CG-CG 4.19Å
485L86.3Confident70.4Confident151 Ų15180.1 Ų80.179%0.79141%0.413SS*.THydrogen-bonded Turntrans-65.7-6.3179.6-63.1176.1000114.4
486D91.3Very high73Confident53 Ų5372.6 Ų72.628%0.28338%0.377SS..THydrogen-bonded Turntrans-12016.1177.567-7.3000112.7P484 Y551 K609 S610P484-D486 WeakPolarHBondContact CB-OD1 3.15Å; P484-D486 PolarHBondContact O-N 2.7Å; D486-Y551 PolarHBondContact OD1-OH 2.86Å; D486-Y551 PolarHBondContact OD2-OH 2.66Å; D486-K609 CarbonylContact O-C 3.51Å; D486-K609 WeakPolarHBondContact O-CA 3.25Å; D486-K609 IonicContact OD1-NZ 3.96Å; D486-K609 IonicContact OD2-NZ 3.13Å; D486-K609 PolarHBondContact OD2-NZ 2.94Å; D486-S610 PolarHBondContact O-N 2.89Å; D486-S610 PolarHBondContact O-OG 3.38Å
487A92.4Very high75.5Confident3 Ų367.1 Ų67.13%0.02536%0.355CS..BIsolated β-bridgetrans-79.1128.3163.900000109.7P484 Y551 F607P484-A487 HydrophobicContact CB-CB 4.28Å; P484-A487 WeakPolarHBondContact O-CB 3.41Å; P484-A487 PolarHBondContact O-N 3.42Å; A487-Y551 HydrophobicContact CB-CD1 4.24Å; A487-Y551 HydrophobicContact CB-CE1 4.21Å; A487-F607 HydrophobicContact CB-CB 3.75Å; A487-F607 HydrophobicContact CB-CD1 4.36Å; A487-F607 HydrophobicContact CB-CG 4.04Å
488M91Very high78.3Confident1 Ų167.8 Ų67.81%0.00534%0.344CS..  trans-66.1131171.9-68.6175.477.200110.2E491 L493 Q562 V563 F607 L608 S613M488-E491 WeakPolarHBondContact CA-OE2 3.3Å; M488-E491 HydrophobicContact CE-CB 3.64Å; M488-E491 WeakPolarHBondContact CE-O 3.3Å; M488-L493 HydrophobicContact CE-CD2 4.27Å; M488-L493 HydrophobicContact CE-CG 4.48Å; M488-Q562 PolarHBondContact O-NE2 2.91Å; M488-V563 HydrophobicContact CE-CB 3.84Å; M488-V563 HydrophobicContact CE-CG1 3.75Å; M488-V563 HydrophobicContact CE-CG2 3.91Å; M488-V563 HydrophobicContact SD-CB 4.29Å; M488-V563 HydrophobicContact SD-CG1 3.8Å; M488-F607 WeakPolarHBondContact O-CD1 3.37Å; M488-L608 WeakPolarHBondContact CB-O 3.44Å; M488-L608 WeakPolarHBondContact CG-O 3.32Å; M488-L608 PolarHBondContact N-O 3.21Å; M488-L608 HydrophobicContact SD-CB 3.92Å; M488-L608 HydrophobicContact SD-CD2 3.75Å; M488-L608 HydrophobicContact SD-CG 4Å; M488-S613 WeakPolarHBondContact SD-CB 3.25Å
489Q88.6Confident81Confident69 Ų6962.4 Ų62.432%0.32232%0.319SS..SBendtrans-116.9-50.7-178.3-67.8175.946.600110.9E491 F557 R559 Q562Q489-E491 PolarHBondContact N-OE2 2.83Å; Q489-F557 HydrophobicContact CB-CD1 4.42Å; Q489-F557 HydrophobicContact CB-CE1 3.96Å; Q489-F557 HydrophobicContact CG-CD1 4.4Å; Q489-F557 HydrophobicContact CG-CE1 3.77Å; Q489-R559 PolarHBondContact O-NH2 3.27Å; Q489-Q562 PolarHBondContact O-NE2 3.35Å; Q489-Q562 PolarHBondContact O-OE1 3.37Å
490N83.8Confident83.1Confident62 Ų6267.3 Ų67.333%0.33232%0.322SS..SBendtrans-127.6-6.3-172.9-60-9.4000112.5R559 M714 V715N490-R559 PolarHBondContact OD1-NH2 3.07Å; N490-M714 VanDerWaalsContact C-SD 3.59Å; N490-M714 HydrophobicContact CB-CB 4.47Å; N490-M714 HydrophobicContact CB-SD 3.73Å; N490-M714 CarbonylContact O-C 3.56Å; N490-M714 WeakPolarHBondContact O-CA 3.43Å; N490-V715 PolarHBondContact O-N 3.45Å
491E85.3Confident85Confident63 Ų6360.5 Ų60.529%0.29431%0.31SS..BIsolated β-bridgetrans-70.9136.3-174-62.192.9137.200112.6M488 Q489 V563 M714M488-E491 WeakPolarHBondContact CA-OE2 3.3Å; M488-E491 HydrophobicContact CE-CB 3.64Å; M488-E491 WeakPolarHBondContact CE-O 3.3Å; Q489-E491 PolarHBondContact N-OE2 2.83Å; E491-V563 VanDerWaalsContact O-CG2 3.25Å; E491-V563 WeakPolarHBondContact O-CG2 3.42Å; E491-M714 HydrophobicContact CB-SD 4.37Å; E491-M714 HydrophobicContact CG-CE 3.97Å; E491-M714 HydrophobicContact CG-SD 3.84Å
492R84.4Confident86.4Confident65 Ų6563.7 Ų63.725%0.24531%0.313CS..PPolyproline II helixtrans-72.8158.8167.8-69.6178-179.5-94.3-9.8111.4L708 M710 G711 G713 M714 V715R492-L708 PolarHBondContact NH1-O 2.65Å; R492-M710 PolarHBondContact NH1-O 2.67Å; R492-G711 VanDerWaalsContact CB-O 3.25Å; R492-G711 WeakPolarHBondContact CB-O 3.27Å; R492-G713 PolarHBondContact N-O 3.13Å; R492-G713 VanDerWaalsContact N-O 3.14Å; R492-M714 PolarHBondContact NE-O 3.03Å; R492-V715 HydrophobicContact CG-CG2 3.46Å; R492-V715 VanDerWaalsContact CG-CG2 3.46Å
493L89.8Confident87.4Confident0 Ų064.1 Ų64.10%031%0.311CS..BIsolated β-bridgetrans-86147.3162.3-76169.7000110.8M488 V563 V577 V592 L608 M710 G711M488-L493 HydrophobicContact CE-CD2 4.27Å; M488-L493 HydrophobicContact CE-CG 4.48Å; L493-V563 HydrophobicContact CD1-CG1 3.75Å; L493-V563 HydrophobicContact CD1-CG2 4.39Å; L493-V563 HydrophobicContact CD2-CG1 4.25Å; L493-V563 HydrophobicContact CG-CG1 3.82Å; L493-V563 HydrophobicContact CG-CG2 4.07Å; L493-V577 HydrophobicContact CD1-CG2 4.4Å; L493-V592 HydrophobicContact CD1-CB 4.27Å; L493-V592 HydrophobicContact CD1-CG1 3.96Å; L493-V592 HydrophobicContact CD1-CG2 3.83Å; L493-L608 HydrophobicContact CD2-CD2 4.18Å; L493-M710 WeakPolarHBondContact O-CA 3.18Å; L493-M710 WeakPolarHBondContact O-CB 3.45Å; L493-G711 PolarHBondContact O-N 2.94Å; L493-G711 VanDerWaalsContact O-N 3.14Å
494N90.4Very high88.1Confident75 Ų7567.8 Ų67.840%0.40133%0.33SS..PPolyproline II helixtrans-59.9130172.2-69.5-36.9000109.6V614 A617N494-V614 PolarHBondContact ND2-O 3Å; N494-A617 PolarHBondContact O-N 3.01Å
495P89.8Confident88.4Confident58 Ų5867.7 Ų67.738%0.37733%0.329SS..PPolyproline II helixtrans-67.4162.3177.530.9-35.8000111.2M710P495-M710 HydrophobicContact CB-CB 3.98Å
496P90.9Very high88.7Confident19 Ų1964.9 Ų64.912%0.12331%0.312CS..PPolyproline II helixtrans-58.1141.3-178-21.531.2000113.1R498 A617 A619 V620 M710P496-R498 PolarHBondContact O-N 2.72Å; P496-A617 WeakPolarHBondContact CA-O 3.43Å; P496-A617 VanDerWaalsContact CB-O 3.25Å; P496-A617 WeakPolarHBondContact CB-O 3.36Å; P496-A617 HydrophobicContact CG-CB 4.32Å; P496-A617 WeakPolarHBondContact CG-O 3.36Å; P496-A619 WeakPolarHBondContact CG-O 3.38Å; P496-V620 HydrophobicContact CB-CG2 3.76Å; P496-M710 HydrophobicContact CG-SD 4.49Å
497T90.3Very high88.8Confident51 Ų5162.3 Ų62.331%0.31330%0.298SS..PPolyproline II helixtrans-61130.1-179.6-71.10000110.9E527T497-E527 VanDerWaalsContact CB-OE1 3.32Å; T497-E527 WeakPolarHBondContact CB-OE1 3.31Å; T497-E527 PolarHBondContact OG1-OE1 2.55Å; T497-E527 PolarHBondContact OG1-OE2 2.89Å
498R90.8Very high88.9Confident145 Ų14564.3 Ų64.355%0.54731%0.308SS..PPolyproline II helixtrans-89.3121-180-64-172-172.9-134.5-1.5110.9P496 Y658 G660P496-R498 PolarHBondContact O-N 2.72Å; R498-Y658 WeakPolarHBondContact CA-OH 3.46Å; R498-Y658 HydrophobicContact CB-CE2 4.04Å; R498-Y658 HydrophobicContact CG-CD1 4.49Å; R498-Y658 HydrophobicContact CG-CE1 4.12Å; R498-Y658 HydrophobicContact CG-CE2 4.31Å; R498-G660 VanDerWaalsContact CZ-O 3.29Å; R498-G660 PolarHBondContact NH1-O 2.9Å; R498-G660 PolarHBondContact NH2-O 3.22Å
499H89.6Confident89Confident44 Ų4465.3 Ų65.320%0.20431%0.314CS..PPolyproline II helixtrans-84173.4170.4-77.4-104.5000110.9E503 F522 L655 Y658H499-E503 IonicContact CE1-OE1 2.71Å; H499-E503 IonicContact CG-OE1 3.76Å; H499-E503 IonicContact ND1-OE1 2.76Å; H499-E503 PolarHBondContact ND1-OE1 2.88Å; H499-E503 IonicContact ND1-OE2 3.72Å; H499-F522 HydrophobicContact CB-CZ 4.37Å; H499-F522 AromaticContact CD2-CD2 3.7Å; H499-F522 AromaticContact CD2-CE2 3.32Å; H499-F522 WeakPolarHBondContact CD2-CE2 3.31Å; H499-F522 AromaticContact CD2-CZ 3.52Å; H499-F522 AromaticContact NE2-CD2 3.66Å; H499-F522 AromaticContact NE2-CE2 3.81Å; H499-F522 AromaticContact NE2-CG 3.99Å; H499-L655 HydrophobicContact CB-CD2 3.38Å; H499-Y658 PolarHBondContact N-OH 3.14Å; H499-Y658 WeakPolarHBondContact O-CE2 3.5Å
500R85.8Confident89.1Confident199 Ų19964.7 Ų64.775%0.75131%0.311SS*.PPolyproline II helixtrans-81.5151.1-178.3-65.1-178174.2-170.7-1.2111.6E503R500-E503 HydrophobicContact CB-CB 4.32Å; R500-E503 WeakPolarHBondContact CB-OE2 3.17Å; R500-E503 PolarHBondContact N-OE2 3.47Å; R500-E503 VanDerWaalsContact O-CB 3.24Å; R500-E503 WeakPolarHBondContact O-CB 3.23Å; R500-E503 PolarHBondContact O-N 2.79Å
501A82.8Confident89.3Confident64 Ų6465.6 Ų65.653%0.52931%0.314SS..THydrogen-bonded Turntrans-58.3139.5163.400000109.6E503 D656A501-E503 PolarHBondContact O-N 3.06Å; A501-D656 VanDerWaalsContact CB-O 3.22Å; A501-D656 WeakPolarHBondContact CB-O 3.16Å
502R79.3Confident89.7Confident127 Ų12763.3 Ų63.348%0.47930%0.304SS..THydrogen-bonded Turntrans68.51-174.6-49.1-179.7-178167.5-0.5116.7L504 L655 E860R502-L504 PolarHBondContact O-N 3.07Å; R502-L655 WeakPolarHBondContact CA-O 3.38Å; R502-L655 PolarHBondContact N-O 2.87Å; R502-E860 HydrophobicContact CB-CG 4.45Å; R502-E860 WeakPolarHBondContact CB-OE2 3.4Å
503E89.2Confident90.1Very high63 Ų6367 Ų6729%0.29432%0.324SS..  trans-62.8127.3173.7-153.4176.6136.600110.1H499 R500 A501 V505 L655H499-E503 IonicContact CE1-OE1 2.71Å; H499-E503 IonicContact CG-OE1 3.76Å; H499-E503 IonicContact ND1-OE1 2.76Å; H499-E503 PolarHBondContact ND1-OE1 2.88Å; H499-E503 IonicContact ND1-OE2 3.72Å; R500-E503 HydrophobicContact CB-CB 4.32Å; R500-E503 WeakPolarHBondContact CB-OE2 3.17Å; R500-E503 PolarHBondContact N-OE2 3.47Å; R500-E503 VanDerWaalsContact O-CB 3.24Å; R500-E503 WeakPolarHBondContact O-CB 3.23Å; R500-E503 PolarHBondContact O-N 2.79Å; A501-E503 PolarHBondContact O-N 3.06Å; E503-V505 HydrophobicContact CB-CG1 4.34Å; E503-V505 HydrophobicContact CG-CG1 3.77Å; E503-V505 WeakPolarHBondContact OE1-CG1 3.49Å; E503-L655 HydrophobicContact CB-CD2 4.48Å; E503-L655 PolarHBondContact O-N 2.91Å; E503-L655 VanDerWaalsContact O-N 3.14Å
504L92Very high90.2Very high88 Ų8867.7 Ų67.746%0.46133%0.329SS..EExtended strand (participates in β ladder)trans-89.2116.7169.2-62.8-177.6000108.1R502 V652 A654R502-L504 PolarHBondContact O-N 3.07Å; L504-V652 HydrophobicContact CD2-CG1 4.48Å; L504-A654 HydrophobicContact CD2-CB 3.46Å; L504-A654 VanDerWaalsContact CD2-CB 3.46Å
505V92.6Very high90.4Very high21 Ų2164.1 Ų64.113%0.12731%0.31CS..EExtended strand (participates in β ladder)trans-135151.1-178.4-590000110.8E503 V507 F522 G653 L655E503-V505 HydrophobicContact CB-CG1 4.34Å; E503-V505 HydrophobicContact CG-CG1 3.77Å; E503-V505 WeakPolarHBondContact OE1-CG1 3.49Å; V505-V507 HydrophobicContact CG2-CG1 3.85Å; V505-F522 HydrophobicContact CB-CD1 4.46Å; V505-F522 HydrophobicContact CG2-CD1 3.64Å; V505-F522 HydrophobicContact CG2-CE1 3.78Å; V505-G653 PolarHBondContact N-O 3.37Å; V505-G653 PolarHBondContact O-N 2.91Å; V505-L655 HydrophobicContact CG2-CD1 3.59Å; V505-L655 HydrophobicContact CG2-CD2 4.45Å
506E92.9Very high90.5Very high92 Ų9262.2 Ų62.243%0.4330%0.3SS..EExtended strand (participates in β ladder)trans-74.8136.7171.3-71.1-171.5-166.600110.9S523 T650 L651E506-S523 PolarHBondContact O-N 2.95Å; E506-S523 PolarHBondContact OE2-OG 3.38Å; E506-T650 HydrophobicContact CB-CG2 3.64Å; E506-T650 HydrophobicContact CG-CG2 4.12Å; E506-L651 CarbonylContact C-O 3.53Å; E506-L651 WeakPolarHBondContact CA-O 3.26Å
507V94.6Very high90.6Very high0 Ų062.4 Ų62.40%030%0.302CS..EExtended strand (participates in β ladder)trans-137.4147.7-176.1-56.30000112.1V505 I520 R521 F522 T650 L651 L667V505-V507 HydrophobicContact CG2-CG1 3.85Å; V507-I520 HydrophobicContact CB-CD1 4.28Å; V507-I520 HydrophobicContact CG1-CD1 3.89Å; V507-R521 WeakPolarHBondContact CA-O 3.35Å; V507-F522 HydrophobicContact CG1-CD1 4.03Å; V507-F522 HydrophobicContact CG1-CE1 4.4Å; V507-T650 WeakPolarHBondContact O-CA 3Å; V507-L651 HydrophobicContact CG2-CB 4.07Å; V507-L651 PolarHBondContact N-O 3.03Å; V507-L651 PolarHBondContact O-N 2.8Å; V507-L667 HydrophobicContact CG2-CD2 3.54Å
508L93.4Very high90.7Very high45 Ų4560.1 Ų60.124%0.23629%0.288CS..EExtended strand (participates in β ladder)trans-109.4133.8167.1-67.9167.8000108.5I520 R521L508-I520 CarbonylContact O-C 3.5Å; L508-I520 WeakPolarHBondContact O-CA 3.43Å; L508-I520 WeakPolarHBondContact O-CB 3.39Å; L508-R521 PolarHBondContact N-O 2.8Å; L508-R521 PolarHBondContact O-N 2.91Å
509V93.8Very high90.9Very high22 Ų2254.4 Ų54.413%0.13327%0.267CS..EExtended strand (participates in β ladder)trans-93.8113.2174.4-178.90000108.1V512 F518 I520 C646 L651 L667V509-V512 HydrophobicContact CG1-CG2 3.44Å; V509-V512 VanDerWaalsContact CG1-CG2 3.44Å; V509-F518 HydrophobicContact CG1-CD2 4.03Å; V509-I520 HydrophobicContact CG2-CG2 4.19Å; V509-C646 HydrophobicContact CB-CB 3.88Å; V509-C646 HydrophobicContact CG1-CB 4.19Å; V509-C646 HydrophobicContact CG2-CB 3.87Å; V509-L651 HydrophobicContact CG2-CD1 4.14Å; V509-L667 HydrophobicContact CG2-CD1 3.91Å
510E89.3Confident91.1Very high55 Ų5552.3 Ų52.326%0.25726%0.257SS..EExtended strand (participates in β ladder)trans-93.5-58.3-171.5-66.1-70.5151.200112.2Y519 R521 F594E510-Y519 PolarHBondContact N-O 3.26Å; E510-R521 VanDerWaalsContact CD-NE 3.29Å; E510-R521 HydrophobicContact CG-CG 3.88Å; E510-R521 IonicContact OE1-CZ 3.19Å; E510-R521 IonicContact OE1-NE 3.27Å; E510-R521 PolarHBondContact OE1-NE 3.37Å; E510-R521 IonicContact OE1-NH2 3.89Å; E510-R521 PolarHBondContact OE1-NH2 3.33Å; E510-F594 WeakPolarHBondContact CB-O 3.22Å
511Q89.6Confident91.5Very high82 Ų8244.3 Ų44.338%0.38323%0.227SC..EExtended strand (participates in β ladder)trans-128.8126.3-170.7-67.6-63.4-19.700110.3F518 Y519 F594 D596Q511-F518 CarbonylContact O-C 3.49Å; Q511-F518 WeakPolarHBondContact O-CA 3.44Å; Q511-F518 VanDerWaalsContact O-CB 3.27Å; Q511-F518 WeakPolarHBondContact O-CB 3.36Å; Q511-Y519 HydrophobicContact CB-CD2 4.11Å; Q511-Y519 PolarHBondContact O-N 2.87Å; Q511-F594 WeakPolarHBondContact CG-O 3.41Å; Q511-D596 HydrophobicContact CG-CB 3.96Å
512V92.9Very high92Very high15 Ų1541.9 Ų41.99%0.09120%0.204CC..EExtended strand (participates in β ladder)trans-128.6108.1-169.3179.90000110.5V509 F518 T639 F642 R643V509-V512 HydrophobicContact CG1-CG2 3.44Å; V509-V512 VanDerWaalsContact CG1-CG2 3.44Å; V512-F518 HydrophobicContact CB-CB 4.33Å; V512-F518 HydrophobicContact CG1-CB 4.42Å; V512-F518 HydrophobicContact CG2-CB 4.03Å; V512-T639 HydrophobicContact CG1-CG2 4.35Å; V512-F642 HydrophobicContact CG1-CD1 3.48Å; V512-F642 VanDerWaalsContact CG1-CD1 3.48Å; V512-F642 HydrophobicContact CG1-CE1 3.74Å; V512-F642 HydrophobicContact CG2-CE1 4.3Å; V512-R643 HydrophobicContact CB-CG 3.72Å; V512-R643 HydrophobicContact CG1-CG 3.7Å; V512-R643 HydrophobicContact CG2-CG 4.18Å; V512-R643 PolarHBondContact O-NE 2.56Å; V512-R643 VanDerWaalsContact O-NE 3.1Å; V512-R643 PolarHBondContact O-NH2 3.27Å
513E91.7Very high92.3Very high141 Ų14136.9 Ų36.966%0.65919%0.188SC*.EExtended strand (participates in β ladder)trans-83.9-45.7167.3177.1-179.4-146.400110S517 T639E513-S517 WeakPolarHBondContact CA-O 3.33Å; E513-S517 WeakPolarHBondContact CB-O 3.36Å; E513-S517 PolarHBondContact N-O 2.85Å; E513-S517 WeakPolarHBondContact OE2-CB 3.09Å; E513-S517 PolarHBondContact OE2-OG 2.64Å; E513-T639 WeakPolarHBondContact O-CG2 3.23Å; E513-T639 PolarHBondContact O-OG1 3.04Å
514S93.6Very high91.6Very high16 Ų1640.5 Ų40.511%0.11221%0.206CC..EExtended strand (participates in β ladder)trans-160.2173.6173.470.70000111.6G516 S517 T639S514-G516 PolarHBondContact O-N 3.3Å; S514-G516 VanDerWaalsContact O-N 3.15Å; S514-G516 PolarHBondContact OG-N 3.13Å; S514-S517 PolarHBondContact N-O 3.43Å; S514-S517 CarbonylContact O-C 3.37Å; S514-S517 PolarHBondContact O-N 3.12Å; S514-S517 PolarHBondContact OG-N 2.91Å; S514-T639 WeakPolarHBondContact CA-OG1 3.25Å
515P94.3Very high90.9Very high0 Ų038 Ų380%019%0.194CC..THydrogen-bonded Turntrans-59.5-19.1168.9-20.831.9000114F518 L624 W634 F642 L682P515-F518 WeakPolarHBondContact O-CE1 3.24Å; P515-L624 HydrophobicContact CB-CB 4.39Å; P515-L624 HydrophobicContact CB-CD2 4.31Å; P515-L624 WeakPolarHBondContact O-CB 3.38Å; P515-L624 PolarHBondContact O-N 3.46Å; P515-W634 HydrophobicContact CB-CD2 4.15Å; P515-W634 HydrophobicContact CB-CE3 4.28Å; P515-W634 HydrophobicContact CB-CH2 3.88Å; P515-W634 HydrophobicContact CB-CZ2 3.74Å; P515-W634 HydrophobicContact CB-CZ3 4.15Å; P515-W634 HydrophobicContact CG-CD2 3.89Å; P515-W634 HydrophobicContact CG-CE3 3.76Å; P515-W634 HydrophobicContact CG-CH2 4.17Å; P515-W634 HydrophobicContact CG-CZ2 4.3Å; P515-W634 HydrophobicContact CG-CZ3 3.91Å; P515-F642 HydrophobicContact CB-CD1 4.12Å; P515-F642 HydrophobicContact CB-CE1 4.48Å; P515-F642 HydrophobicContact CB-CG 4.24Å; P515-F642 HydrophobicContact CG-CB 3.84Å; P515-F642 HydrophobicContact CG-CD1 3.92Å; P515-F642 HydrophobicContact CG-CG 3.88Å; P515-L682 HydrophobicContact CB-CD1 4.26Å; P515-L682 HydrophobicContact CG-CD1 4.02Å
516G92.1Very high90.5Very high17 Ų1742.9 Ų42.918%0.17522%0.215CC..THydrogen-bonded Turntrans-97.37.117200000115S514S514-G516 PolarHBondContact O-N 3.3Å; S514-G516 VanDerWaalsContact O-N 3.15Å; S514-G516 PolarHBondContact OG-N 3.13Å
517S91.7Very high90.1Very high24 Ų2440.8 Ų40.817%0.16821%0.206CC..EExtended strand (participates in β ladder)trans-161.599.5176-178.60000110.1E513 S514E513-S517 WeakPolarHBondContact CA-O 3.33Å; E513-S517 WeakPolarHBondContact CB-O 3.36Å; E513-S517 PolarHBondContact N-O 2.85Å; E513-S517 WeakPolarHBondContact OE2-CB 3.09Å; E513-S517 PolarHBondContact OE2-OG 2.64Å; S514-S517 PolarHBondContact N-O 3.43Å; S514-S517 CarbonylContact O-C 3.37Å; S514-S517 PolarHBondContact O-N 3.12Å; S514-S517 PolarHBondContact OG-N 2.91Å
518F93.8Very high89.7Confident2 Ų241.4 Ų41.41%0.00921%0.21CC..EExtended strand (participates in β ladder)trans-146.7173.1172.960.7-85.4000111.4V509 Q511 V512 P515 I520 P621 S622 L624 F642 L665 L667V509-F518 HydrophobicContact CG1-CD2 4.03Å; Q511-F518 CarbonylContact O-C 3.49Å; Q511-F518 WeakPolarHBondContact O-CA 3.44Å; Q511-F518 VanDerWaalsContact O-CB 3.27Å; Q511-F518 WeakPolarHBondContact O-CB 3.36Å; V512-F518 HydrophobicContact CB-CB 4.33Å; V512-F518 HydrophobicContact CG1-CB 4.42Å; V512-F518 HydrophobicContact CG2-CB 4.03Å; P515-F518 WeakPolarHBondContact O-CE1 3.24Å; F518-I520 HydrophobicContact CD2-CG2 3.77Å; F518-I520 HydrophobicContact CE2-CG2 3.54Å; F518-P621 CarbonylContact O-C 3.38Å; F518-S622 WeakPolarHBondContact CD1-O 3.5Å; F518-S622 VanDerWaalsContact CE2-CB 3.47Å; F518-S622 PolarHBondContact N-O 3.08Å; F518-S622 VanDerWaalsContact N-O 3.13Å; F518-S622 PolarHBondContact O-N 3.33Å; F518-L624 HydrophobicContact CE1-CB 4.01Å; F518-L624 HydrophobicContact CZ-CB 4.4Å; F518-F642 HydrophobicContact CB-CE1 4.26Å; F518-F642 AromaticContact CD1-CE1 3.55Å; F518-F642 HydrophobicContact CD1-CE1 3.55Å; F518-F642 AromaticContact CD1-CZ 3.73Å; F518-F642 HydrophobicContact CD1-CZ 3.73Å; F518-F642 HydrophobicContact CD2-CE1 4.48Å; F518-F642 HydrophobicContact CD2-CZ 4.3Å; F518-F642 AromaticContact CE1-CE1 3.9Å; F518-F642 HydrophobicContact CE1-CE1 3.9Å; F518-F642 AromaticContact CE1-CZ 3.6Å; F518-F642 HydrophobicContact CE1-CZ 3.6Å; F518-F642 HydrophobicContact CE2-CZ 4.19Å; F518-F642 AromaticContact CG-CE1 3.88Å; F518-F642 HydrophobicContact CG-CE1 3.88Å; F518-F642 HydrophobicContact CG-CZ 4.09Å; F518-F642 AromaticContact CZ-CZ 3.85Å; F518-F642 HydrophobicContact CZ-CZ 3.85Å; F518-L665 HydrophobicContact CE2-CD2 4.24Å; F518-L665 HydrophobicContact CZ-CD2 3.99Å; F518-L667 HydrophobicContact CE2-CD1 3.99Å; F518-L667 HydrophobicContact CZ-CD1 3.96Å
519Y94.4Very high89.3Confident26 Ų2645.9 Ų45.910%0.10222%0.224CC..EExtended strand (participates in β ladder)trans-119140.5173.4-66.9-92.9000110.9E510 Q511 F590 G595 A619 V620 P621 P705E510-Y519 PolarHBondContact N-O 3.26Å; Q511-Y519 HydrophobicContact CB-CD2 4.11Å; Q511-Y519 PolarHBondContact O-N 2.87Å; Y519-F590 HydrophobicContact CE1-CE2 4.16Å; Y519-F590 AromaticContact CE1-CZ 3.83Å; Y519-F590 HydrophobicContact CE1-CZ 3.83Å; Y519-F590 HydrophobicContact CE2-CE2 4.48Å; Y519-F590 AromaticContact CZ-CE2 3.85Å; Y519-F590 AromaticContact CZ-CZ 3.98Å; Y519-G595 VanDerWaalsContact CE2-O 3.3Å; Y519-G595 WeakPolarHBondContact CE2-O 3.43Å; Y519-A619 HydrophobicContact CD1-CB 3.87Å; Y519-A619 HydrophobicContact CG-CB 4.47Å; Y519-V620 VanDerWaalsContact CA-O 3.31Å; Y519-V620 WeakPolarHBondContact CA-O 3.36Å; Y519-P621 HydrophobicContact CD1-CB 4.09Å; Y519-P621 HydrophobicContact CE1-CB 3.72Å; Y519-P621 HydrophobicContact CE1-CG 4.4Å; Y519-P705 WeakPolarHBondContact OH-CD 3.36Å
520I94.3Very high89.1Confident0 Ų046.6 Ų46.60%023%0.232CC..EExtended strand (participates in β ladder)trans-116.8163.5169.270.7174.8000111.8V507 L508 V509 F518 F522 V620 L663 L665V507-I520 HydrophobicContact CB-CD1 4.28Å; V507-I520 HydrophobicContact CG1-CD1 3.89Å; L508-I520 CarbonylContact O-C 3.5Å; L508-I520 WeakPolarHBondContact O-CA 3.43Å; L508-I520 WeakPolarHBondContact O-CB 3.39Å; V509-I520 HydrophobicContact CG2-CG2 4.19Å; F518-I520 HydrophobicContact CD2-CG2 3.77Å; F518-I520 HydrophobicContact CE2-CG2 3.54Å; I520-F522 HydrophobicContact CD1-CE1 4.15Å; I520-V620 HydrophobicContact CG1-CB 3.78Å; I520-V620 HydrophobicContact CG1-CG1 4.33Å; I520-V620 HydrophobicContact CG1-CG2 4.46Å; I520-V620 PolarHBondContact N-O 3.02Å; I520-V620 PolarHBondContact O-N 3.38Å; I520-L663 HydrophobicContact CD1-CD2 3.75Å; I520-L665 HydrophobicContact CD1-CD1 3.73Å
521R93.3Very high89.2Confident31 Ų3144.1 Ų44.112%0.11722%0.221CC..EExtended strand (participates in β ladder)trans-123.9146.4158.4-59.2-176.3-57.4120.8-2.5109.3V507 L508 E510 D593V507-R521 WeakPolarHBondContact CA-O 3.35Å; L508-R521 PolarHBondContact N-O 2.8Å; L508-R521 PolarHBondContact O-N 2.91Å; E510-R521 VanDerWaalsContact CD-NE 3.29Å; E510-R521 HydrophobicContact CG-CG 3.88Å; E510-R521 IonicContact OE1-CZ 3.19Å; E510-R521 IonicContact OE1-NE 3.27Å; E510-R521 PolarHBondContact OE1-NE 3.37Å; E510-R521 IonicContact OE1-NH2 3.89Å; E510-R521 PolarHBondContact OE1-NH2 3.33Å; R521-D593 WeakPolarHBondContact CD-O 3.29Å
522F92.9Very high89Confident13 Ų1346 Ų466%0.05723%0.23CC..EExtended strand (participates in β ladder)trans-76.2122.7172.8-58.7-66.4000110.4H499 V505 V507 I520 T525 V620 L655 L663H499-F522 HydrophobicContact CB-CZ 4.37Å; H499-F522 AromaticContact CD2-CD2 3.7Å; H499-F522 AromaticContact CD2-CE2 3.32Å; H499-F522 WeakPolarHBondContact CD2-CE2 3.31Å; H499-F522 AromaticContact CD2-CZ 3.52Å; H499-F522 AromaticContact NE2-CD2 3.66Å; H499-F522 AromaticContact NE2-CE2 3.81Å; H499-F522 AromaticContact NE2-CG 3.99Å; V505-F522 HydrophobicContact CB-CD1 4.46Å; V505-F522 HydrophobicContact CG2-CD1 3.64Å; V505-F522 HydrophobicContact CG2-CE1 3.78Å; V507-F522 HydrophobicContact CG1-CD1 4.03Å; V507-F522 HydrophobicContact CG1-CE1 4.4Å; I520-F522 HydrophobicContact CD1-CE1 4.15Å; F522-T525 HydrophobicContact CB-CG2 3.6Å; F522-T525 PolarHBondContact O-OG1 3.18Å; F522-V620 HydrophobicContact CD2-CG2 4.31Å; F522-V620 HydrophobicContact CE2-CG2 3.66Å; F522-V620 HydrophobicContact CZ-CG2 4.15Å; F522-L655 HydrophobicContact CE1-CD2 4.3Å; F522-L663 HydrophobicContact CZ-CD2 4.37Å
523S85.3Confident88.7Confident21 Ų2148.4 Ų48.415%0.14725%0.247CC..SBendtrans-74.3158.6178.5-179.80000111.6E506 T525E506-S523 PolarHBondContact O-N 2.95Å; E506-S523 PolarHBondContact OE2-OG 3.38Å; S523-T525 WeakPolarHBondContact O-CG2 3.41Å; S523-T525 PolarHBondContact O-N 3.31Å
524E74.2Confident88.7Confident140 Ų14042.5 Ų42.565%0.65422%0.22SC*.SBendtrans53.8-1.5174.8-58.8-123.1140.100117.9R529E524-R529 PolarHBondContact O-NE 3.05Å; E524-R529 PolarHBondContact O-NH2 2.9Å
525T78.4Confident88.4Confident34 Ų3443 Ų4321%0.20922%0.221CC..SBendtrans-64.1165.7-179.163.50000113.8F522 S523 E527 A528 R529F522-T525 HydrophobicContact CB-CG2 3.6Å; F522-T525 PolarHBondContact O-OG1 3.18Å; S523-T525 WeakPolarHBondContact O-CG2 3.41Å; S523-T525 PolarHBondContact O-N 3.31Å; T525-E527 VanDerWaalsContact C-N 3.25Å; T525-E527 PolarHBondContact O-N 3.26Å; T525-E527 PolarHBondContact OG1-N 2.93Å; T525-A528 WeakPolarHBondContact OG1-CB 3.49Å; T525-A528 PolarHBondContact OG1-N 2.87Å; T525-R529 VanDerWaalsContact O-CZ 3.25Å; T525-R529 PolarHBondContact O-N 3.02Å; T525-R529 PolarHBondContact O-NE 3.34Å; T525-R529 PolarHBondContact O-NH2 2.61Å
526E84.5Confident87.9Confident125 Ų12548.9 Ų48.958%0.58425%0.247SC*.Hα-helixtrans-64.4-32.3168.9-171.1168176.800111.6A530E526-A530 VanDerWaalsContact O-CB 3.31Å; E526-A530 WeakPolarHBondContact O-CB 3.16Å; E526-A530 PolarHBondContact O-N 3.3Å
527E85.1Confident87.7Confident48 Ų4850.6 Ų50.622%0.22425%0.252CS..Hα-helixtrans-70.9-41177.5-59.2-165.8-175.700112.8T497 T525 R529 A530 L531 L615 Q618T497-E527 VanDerWaalsContact CB-OE1 3.32Å; T497-E527 WeakPolarHBondContact CB-OE1 3.31Å; T497-E527 PolarHBondContact OG1-OE1 2.55Å; T497-E527 PolarHBondContact OG1-OE2 2.89Å; T525-E527 VanDerWaalsContact C-N 3.25Å; T525-E527 PolarHBondContact O-N 3.26Å; T525-E527 PolarHBondContact OG1-N 2.93Å; E527-R529 VanDerWaalsContact C-N 3.34Å; E527-R529 PolarHBondContact O-N 3.24Å; E527-A530 CarbonylContact O-C 3.55Å; E527-A530 WeakPolarHBondContact O-CA 3.35Å; E527-A530 WeakPolarHBondContact O-CB 3.47Å; E527-A530 PolarHBondContact O-N 3.05Å; E527-L531 PolarHBondContact O-N 3.34Å; E527-L615 HydrophobicContact CB-CD1 4.24Å; E527-L615 HydrophobicContact CG-CD1 4.49Å; E527-Q618 VanDerWaalsContact CB-OE1 3.27Å; E527-Q618 PolarHBondContact OE2-NE2 2.73Å
528A84.4Confident87.6Confident12 Ų1249.5 Ų49.510%0.09924%0.244CC..Hα-helixtrans-59.4-44.2174.800000111.9T525 A530 L531 E532T525-A528 WeakPolarHBondContact OG1-CB 3.49Å; T525-A528 PolarHBondContact OG1-N 2.87Å; A528-A530 VanDerWaalsContact C-N 3.31Å; A528-A530 PolarHBondContact O-N 3.33Å; A528-L531 WeakPolarHBondContact O-CB 3.43Å; A528-L531 PolarHBondContact O-N 3.13Å; A528-E532 PolarHBondContact O-N 2.98Å
529R85.1Confident87.3Confident139 Ų13953.7 Ų53.753%0.52526%0.26SS..Hα-helixtrans-68.8-29.4174.4-73.4177.3-91108.6-7.4112.6E524 T525 E527 S533E524-R529 PolarHBondContact O-NE 3.05Å; E524-R529 PolarHBondContact O-NH2 2.9Å; T525-R529 VanDerWaalsContact O-CZ 3.25Å; T525-R529 PolarHBondContact O-N 3.02Å; T525-R529 PolarHBondContact O-NE 3.34Å; T525-R529 PolarHBondContact O-NH2 2.61Å; E527-R529 VanDerWaalsContact C-N 3.34Å; E527-R529 PolarHBondContact O-N 3.24Å; R529-S533 PolarHBondContact O-N 2.99Å
530A90.5Very high86.8Confident37 Ų3761.4 Ų61.431%0.30629%0.289SS..Hα-helixtrans-73.1-32.2172.400000112.6E526 E527 A528 S533 L534 L615E526-A530 VanDerWaalsContact O-CB 3.31Å; E526-A530 WeakPolarHBondContact O-CB 3.16Å; E526-A530 PolarHBondContact O-N 3.3Å; E527-A530 CarbonylContact O-C 3.55Å; E527-A530 WeakPolarHBondContact O-CA 3.35Å; E527-A530 WeakPolarHBondContact O-CB 3.47Å; E527-A530 PolarHBondContact O-N 3.05Å; A528-A530 VanDerWaalsContact C-N 3.31Å; A528-A530 PolarHBondContact O-N 3.33Å; A530-S533 PolarHBondContact O-N 3Å; A530-L534 WeakPolarHBondContact O-CB 3.3Å; A530-L534 PolarHBondContact O-N 3.39Å; A530-L615 HydrophobicContact CB-CD1 3.64Å; A530-L615 HydrophobicContact CB-CD2 4.49Å
531L91.5Very high86.4Confident4 Ų462.7 Ų62.72%0.02130%0.297CS..Hα-helixtrans-62.6-45.7172.4179.865.1000111.3E527 A528 L534 M535 D593 F594 L615 Q618E527-L531 PolarHBondContact O-N 3.34Å; A528-L531 WeakPolarHBondContact O-CB 3.43Å; A528-L531 PolarHBondContact O-N 3.13Å; L531-L534 WeakPolarHBondContact O-CB 3.36Å; L531-L534 PolarHBondContact O-N 3.02Å; L531-M535 HydrophobicContact CG-SD 4.34Å; L531-M535 WeakPolarHBondContact O-CG 3.22Å; L531-M535 PolarHBondContact O-N 3.09Å; L531-D593 HydrophobicContact CD1-CB 3.73Å; L531-D593 HydrophobicContact CD2-CB 4.17Å; L531-F594 HydrophobicContact CD2-CE2 4.49Å; L531-F594 HydrophobicContact CD2-CZ 4.15Å; L531-L615 HydrophobicContact CB-CD2 4Å; L531-L615 HydrophobicContact CD1-CD2 4.23Å; L531-Q618 HydrophobicContact CB-CG 4.23Å; L531-Q618 HydrophobicContact CD1-CG 4.26Å; L531-Q618 HydrophobicContact CD2-CB 4.17Å; L531-Q618 HydrophobicContact CD2-CG 4.08Å; L531-Q618 HydrophobicContact CG-CG 4.41Å
532E85.2Confident86.2Confident121 Ų12161.2 Ų61.257%0.56529%0.292SS*.Hα-helixtrans-55.9-53.4174.1-67.2178.517600111A528 L534 M535 F536A528-E532 PolarHBondContact O-N 2.98Å; E532-L534 VanDerWaalsContact C-N 3.26Å; E532-L534 PolarHBondContact O-N 3.03Å; E532-M535 PolarHBondContact O-N 3.34Å; E532-F536 WeakPolarHBondContact O-CD2 3.47Å; E532-F536 PolarHBondContact O-N 3.25Å
533S85.8Confident85.9Confident65 Ų6564.8 Ų64.846%0.45532%0.315SS..Hα-helixtrans-59.3-37.9178-168.60000112.2R529 A530 F536 D537R529-S533 PolarHBondContact O-N 2.99Å; A530-S533 PolarHBondContact O-N 3Å; S533-F536 PolarHBondContact O-N 3.31Å; S533-D537 WeakPolarHBondContact O-CB 3.33Å; S533-D537 PolarHBondContact O-N 2.7Å
534L92.8Very high85.9Confident18 Ų1866.4 Ų66.49%0.09433%0.326CS..Hα-helixtrans-64.9-42.4177.917961.5000111.5A530 L531 E532 D537 M538 F612 L615A530-L534 WeakPolarHBondContact O-CB 3.3Å; A530-L534 PolarHBondContact O-N 3.39Å; L531-L534 WeakPolarHBondContact O-CB 3.36Å; L531-L534 PolarHBondContact O-N 3.02Å; E532-L534 VanDerWaalsContact C-N 3.26Å; E532-L534 PolarHBondContact O-N 3.03Å; L534-D537 PolarHBondContact O-N 3.03Å; L534-M538 HydrophobicContact CD1-CG 4.16Å; L534-M538 HydrophobicContact CD1-SD 4.13Å; L534-M538 HydrophobicContact CG-CG 4.46Å; L534-M538 HydrophobicContact CG-SD 4.01Å; L534-M538 WeakPolarHBondContact O-CB 3.17Å; L534-M538 VanDerWaalsContact O-CG 3.3Å; L534-M538 WeakPolarHBondContact O-CG 3.49Å; L534-M538 PolarHBondContact O-N 2.92Å; L534-F612 HydrophobicContact CD1-CB 3.75Å; L534-F612 HydrophobicContact CD1-CD1 3.46Å; L534-F612 VanDerWaalsContact CD1-CD1 3.46Å; L534-F612 HydrophobicContact CD1-CE1 4.37Å; L534-F612 HydrophobicContact CD1-CG 3.89Å; L534-L615 HydrophobicContact CD2-CB 4.02Å; L534-L615 HydrophobicContact CD2-CD2 3.65Å; L534-L615 HydrophobicContact CD2-CG 4.49Å
535M87Confident86.5Confident25 Ų2564.1 Ų64.112%0.12332%0.323CS..Hα-helixtrans-65.6-38.6175.4-71.1176.564.500112.2L531 E532 R539 W572 Y574 F594L531-M535 HydrophobicContact CG-SD 4.34Å; L531-M535 WeakPolarHBondContact O-CG 3.22Å; L531-M535 PolarHBondContact O-N 3.09Å; E532-M535 PolarHBondContact O-N 3.34Å; M535-R539 VanDerWaalsContact O-CB 3.27Å; M535-R539 WeakPolarHBondContact O-CB 3.39Å; M535-R539 PolarHBondContact O-N 3.48Å; M535-W572 HydrophobicContact CB-CE3 4.42Å; M535-W572 HydrophobicContact CE-CB 4.28Å; M535-W572 HydrophobicContact CE-CD2 4.45Å; M535-W572 HydrophobicContact CE-CG 4.31Å; M535-Y574 HydrophobicContact CE-CD1 4.05Å; M535-Y574 HydrophobicContact CE-CE1 3.46Å; M535-Y574 VanDerWaalsContact CE-CE1 3.46Å; M535-F594 HydrophobicContact CE-CZ 4.42Å; M535-F594 HydrophobicContact SD-CE2 4.25Å; M535-F594 HydrophobicContact SD-CZ 3.9Å
536F83.1Confident87Confident125 Ų12567.6 Ų67.655%0.54834%0.337SS..Hα-helixtrans-62.3-43170.8-79-72.2000112.2E532 S533 R540 W572E532-F536 WeakPolarHBondContact O-CD2 3.47Å; E532-F536 PolarHBondContact O-N 3.25Å; S533-F536 PolarHBondContact O-N 3.31Å; F536-R540 VanDerWaalsContact O-CB 3.3Å; F536-R540 WeakPolarHBondContact O-CB 3.19Å; F536-R540 PolarHBondContact O-N 2.73Å; F536-W572 AromaticContact CD1-CH2 3.9Å; F536-W572 HydrophobicContact CD1-CH2 3.9Å; F536-W572 AromaticContact CD1-CZ3 3.88Å; F536-W572 HydrophobicContact CD1-CZ3 3.88Å; F536-W572 AromaticContact CE1-CH2 3.56Å; F536-W572 HydrophobicContact CE1-CH2 3.56Å; F536-W572 HydrophobicContact CE1-CZ3 4.04Å; F536-W572 HydrophobicContact CG-CZ3 4.3Å; F536-W572 AromaticContact CZ-CH2 3.91Å; F536-W572 HydrophobicContact CZ-CH2 3.91Å
537D88.3Confident87.2Confident53 Ų5362.8 Ų62.828%0.28332%0.316SS..Hα-helixtrans-73.2-38.8-179.5-87.6-30.3000113.5S533 L534 R540 C541 F612S533-D537 WeakPolarHBondContact O-CB 3.33Å; S533-D537 PolarHBondContact O-N 2.7Å; L534-D537 PolarHBondContact O-N 3.03Å; D537-R540 PolarHBondContact O-N 3.23Å; D537-R540 IonicContact OD1-CZ 2.66Å; D537-R540 VanDerWaalsContact OD1-CZ 3.25Å; D537-R540 IonicContact OD1-NE 2.82Å; D537-R540 PolarHBondContact OD1-NE 3.35Å; D537-R540 VanDerWaalsContact OD1-NE 3.08Å; D537-R540 IonicContact OD1-NH2 3.33Å; D537-R540 PolarHBondContact OD1-NH2 3.08Å; D537-C541 WeakPolarHBondContact O-CB 3.21Å; D537-C541 PolarHBondContact O-N 3.23Å; D537-F612 HydrophobicContact CB-CE1 4.09Å
538M89.6Confident87.3Confident1 Ų162.1 Ų62.11%0.00532%0.317CS..Hα-helixtrans-61.3-45.9171.5-74.3178.76100110.5L534 C541 Y542 C565 F573 R575 L608 F612L534-M538 HydrophobicContact CD1-CG 4.16Å; L534-M538 HydrophobicContact CD1-SD 4.13Å; L534-M538 HydrophobicContact CG-CG 4.46Å; L534-M538 HydrophobicContact CG-SD 4.01Å; L534-M538 WeakPolarHBondContact O-CB 3.17Å; L534-M538 VanDerWaalsContact O-CG 3.3Å; L534-M538 WeakPolarHBondContact O-CG 3.49Å; L534-M538 PolarHBondContact O-N 2.92Å; M538-C541 PolarHBondContact O-N 2.9Å; M538-Y542 HydrophobicContact CB-CD2 4.23Å; M538-Y542 HydrophobicContact CB-CE2 4.37Å; M538-Y542 HydrophobicContact CE-CE2 4.34Å; M538-Y542 HydrophobicContact CG-CE2 4.35Å; M538-Y542 WeakPolarHBondContact O-CD2 3.37Å; M538-Y542 PolarHBondContact O-N 2.87Å; M538-C565 HydrophobicContact CE-CB 3.49Å; M538-C565 VanDerWaalsContact CE-CB 3.49Å; M538-F573 HydrophobicContact CB-CB 3.89Å; M538-F573 HydrophobicContact CE-CB 4.16Å; M538-R575 HydrophobicContact CE-CG 3.84Å; M538-R575 HydrophobicContact SD-CG 3.65Å; M538-L608 HydrophobicContact CE-CD1 3.66Å; M538-L608 HydrophobicContact SD-CD1 4.15Å; M538-F612 HydrophobicContact CB-CE2 4.48Å; M538-F612 HydrophobicContact CG-CB 4.26Å; M538-F612 HydrophobicContact CG-CD1 4.03Å; M538-F612 HydrophobicContact CG-CD2 3.52Å; M538-F612 HydrophobicContact CG-CE1 4.23Å; M538-F612 HydrophobicContact CG-CE2 3.76Å; M538-F612 HydrophobicContact CG-CG 3.68Å; M538-F612 HydrophobicContact CG-CZ 4.1Å; M538-F612 HydrophobicContact SD-CB 4.21Å; M538-F612 HydrophobicContact SD-CD2 4.36Å; M538-F612 HydrophobicContact SD-CG 4.28Å
539R87.4Confident87.6Confident90 Ų9068.7 Ų68.734%0.3435%0.345SS..Hα-helixtrans-56.9-52.2172.6-178.1-176.2-175.7157.26.5111.7M535 C541 T543 I571 W572M535-R539 VanDerWaalsContact O-CB 3.27Å; M535-R539 WeakPolarHBondContact O-CB 3.39Å; M535-R539 PolarHBondContact O-N 3.48Å; R539-C541 PolarHBondContact O-N 2.92Å; R539-T543 VanDerWaalsContact O-CB 3.24Å; R539-T543 WeakPolarHBondContact O-CB 3.27Å; R539-T543 PolarHBondContact O-N 3.47Å; R539-T543 PolarHBondContact O-OG1 2.79Å; R539-I571 WeakPolarHBondContact CD-O 3.38Å; R539-I571 WeakPolarHBondContact CG-O 3.27Å; R539-I571 PolarHBondContact NE-O 2.64Å; R539-I571 PolarHBondContact NH1-O 2.87Å; R539-W572 HydrophobicContact CB-CE3 4.34Å
540R83.2Confident87.9Confident188 Ų18869.3 Ų69.371%0.70935%0.348SS*.Hα-helixtrans-58-32.7178.3-178.116768.2135.4-2.4113F536 D537F536-R540 VanDerWaalsContact O-CB 3.3Å; F536-R540 WeakPolarHBondContact O-CB 3.19Å; F536-R540 PolarHBondContact O-N 2.73Å; D537-R540 PolarHBondContact O-N 3.23Å; D537-R540 IonicContact OD1-CZ 2.66Å; D537-R540 VanDerWaalsContact OD1-CZ 3.25Å; D537-R540 IonicContact OD1-NE 2.82Å; D537-R540 PolarHBondContact OD1-NE 3.35Å; D537-R540 VanDerWaalsContact OD1-NE 3.08Å; D537-R540 IonicContact OD1-NH2 3.33Å; D537-R540 PolarHBondContact OD1-NH2 3.08Å
541C87.3Confident88.1Confident26 Ų2668.3 Ų68.318%0.17634%0.336CS..Hα-helixtrans-78.5-55.8179.2-170.30000112.3D537 M538 R539 C544 V547 F612D537-C541 WeakPolarHBondContact O-CB 3.21Å; D537-C541 PolarHBondContact O-N 3.23Å; M538-C541 PolarHBondContact O-N 2.9Å; R539-C541 PolarHBondContact O-N 2.92Å; C541-C544 WeakPolarHBondContact O-CB 3.08Å; C541-C544 PolarHBondContact O-N 2.71Å; C541-V547 WeakPolarHBondContact O-CB 3.09Å; C541-V547 WeakPolarHBondContact O-CG1 3.19Å; C541-F612 HydrophobicContact CB-CE2 4.05Å; C541-F612 HydrophobicContact CB-CZ 3.82Å
542Y87.7Confident88.3Confident1 Ų170.6 Ų70.60%0.00435%0.347CS..Hα-helixtrans-85.9-13.1-170.3-64.7-73.4000114.8M538 C544 V547 S548 Y551 C565 F573 K606 F607 L608 K609 F612M538-Y542 HydrophobicContact CB-CD2 4.23Å; M538-Y542 HydrophobicContact CB-CE2 4.37Å; M538-Y542 HydrophobicContact CE-CE2 4.34Å; M538-Y542 HydrophobicContact CG-CE2 4.35Å; M538-Y542 WeakPolarHBondContact O-CD2 3.37Å; M538-Y542 PolarHBondContact O-N 2.87Å; Y542-C544 PolarHBondContact O-N 3.23Å; Y542-V547 HydrophobicContact CD1-CG1 4.29Å; Y542-S548 WeakPolarHBondContact O-CB 3.3Å; Y542-Y551 HydrophobicContact CE1-CD1 4.34Å; Y542-Y551 HydrophobicContact CE1-CG 4.04Å; Y542-C565 VanDerWaalsContact CE2-SG 3.52Å; Y542-F573 VanDerWaalsContact CB-CZ 3.42Å; Y542-F573 HydrophobicContact CD2-CB 4.45Å; Y542-F573 AromaticContact CD2-CD1 3.97Å; Y542-F573 HydrophobicContact CD2-CD1 3.97Å; Y542-F573 HydrophobicContact CD2-CE1 4.48Å; Y542-F573 HydrophobicContact CD2-CG 4.2Å; Y542-F573 AromaticContact CG-CD1 3.99Å; Y542-F573 HydrophobicContact CG-CD1 3.99Å; Y542-F573 HydrophobicContact CG-CE1 4.04Å; Y542-F573 HydrophobicContact CG-CG 4.48Å; Y542-K606 HydrophobicContact CD1-CB 4.39Å; Y542-K606 HydrophobicContact CD1-CD 4.43Å; Y542-K606 HydrophobicContact CE1-CB 4.19Å; Y542-F607 PolarHBondContact OH-O 3.46Å; Y542-L608 WeakPolarHBondContact OH-CA 3.37Å; Y542-K609 PolarHBondContact OH-N 3.42Å; Y542-F612 HydrophobicContact CD2-CE2 4.45Å; Y542-F612 AromaticContact CE2-CD2 3.91Å; Y542-F612 HydrophobicContact CE2-CD2 3.91Å; Y542-F612 AromaticContact CE2-CE2 3.67Å; Y542-F612 HydrophobicContact CE2-CE2 3.67Å
543T87.1Confident88.7Confident87 Ų8765.2 Ų65.253%0.53432%0.321SS..THydrogen-bonded Turntrans-71.4-15168.1-62.40000112.5R539 P545R539-T543 VanDerWaalsContact O-CB 3.24Å; R539-T543 WeakPolarHBondContact O-CB 3.27Å; R539-T543 PolarHBondContact O-N 3.47Å; R539-T543 PolarHBondContact O-OG1 2.79Å; T543-P545 WeakPolarHBondContact O-CD 3.3Å
544C86.1Confident89Confident56 Ų5664.4 Ų64.438%0.37831%0.312SS..SBendtrans-72.2118.2172.3-156.70000109.4C541 Y542 E546 V547 S548C541-C544 WeakPolarHBondContact O-CB 3.08Å; C541-C544 PolarHBondContact O-N 2.71Å; Y542-C544 PolarHBondContact O-N 3.23Å; C544-E546 VanDerWaalsContact C-N 3.32Å; C544-E546 PolarHBondContact O-N 3.22Å; C544-E546 PolarHBondContact SG-OE2 3.01Å; C544-V547 HydrophobicContact CB-CB 4.05Å; C544-V547 HydrophobicContact CB-CG2 3.82Å; C544-V547 WeakPolarHBondContact O-CA 3.2Å; C544-V547 WeakPolarHBondContact O-CB 3.42Å; C544-V547 PolarHBondContact O-N 3.02Å; C544-S548 PolarHBondContact O-N 2.95Å
545P87.3Confident88.8Confident92 Ų9270.7 Ų70.760%0.59734%0.341SS*.Hα-helixtrans-56.3-43.3-172.3-27.636.1000113.7T543 V547 S548 E549T543-P545 WeakPolarHBondContact O-CD 3.3Å; P545-V547 PolarHBondContact O-N 3.37Å; P545-V547 VanDerWaalsContact O-N 3.16Å; P545-S548 WeakPolarHBondContact O-CB 3.41Å; P545-S548 PolarHBondContact O-N 3.33Å; P545-E549 WeakPolarHBondContact O-CB 3.2Å; P545-E549 PolarHBondContact O-N 2.94Å
546E88Confident88.9Confident107 Ų10771.4 Ų71.450%0.535%0.347SS..Hα-helixtrans-70.4-9.2179.8-43.482.9168.300112.5C544 R550C544-E546 VanDerWaalsContact C-N 3.32Å; C544-E546 PolarHBondContact O-N 3.22Å; C544-E546 PolarHBondContact SG-OE2 3.01Å; E546-R550 VanDerWaalsContact O-CZ 3.26Å; E546-R550 PolarHBondContact O-NE 3.18Å; E546-R550 PolarHBondContact O-NH2 2.93Å
547V88.4Confident89.3Confident23 Ų2365.6 Ų65.614%0.13932%0.322CS..Hα-helixtrans-99-44.3169.8-179.20000109.5C541 Y542 C544 P545 E549 R550 Y551C541-V547 WeakPolarHBondContact O-CB 3.09Å; C541-V547 WeakPolarHBondContact O-CG1 3.19Å; Y542-V547 HydrophobicContact CD1-CG1 4.29Å; C544-V547 HydrophobicContact CB-CB 4.05Å; C544-V547 HydrophobicContact CB-CG2 3.82Å; C544-V547 WeakPolarHBondContact O-CA 3.2Å; C544-V547 WeakPolarHBondContact O-CB 3.42Å; C544-V547 PolarHBondContact O-N 3.02Å; P545-V547 PolarHBondContact O-N 3.37Å; P545-V547 VanDerWaalsContact O-N 3.16Å; V547-E549 VanDerWaalsContact C-N 3.26Å; V547-E549 PolarHBondContact O-N 3.33Å; V547-R550 PolarHBondContact O-N 2.87Å; V547-Y551 HydrophobicContact CG1-CD2 3.61Å; V547-Y551 HydrophobicContact CG1-CE2 3.78Å; V547-Y551 WeakPolarHBondContact O-CD2 3.39Å; V547-Y551 PolarHBondContact O-N 3.16Å
548S88Confident89.6Confident35 Ų3564.1 Ų64.125%0.24532%0.315CS..Hα-helixtrans-50.6-45.6174.8-169.80000112.2Y542 C544 P545 Q552 K606Y542-S548 WeakPolarHBondContact O-CB 3.3Å; C544-S548 PolarHBondContact O-N 2.95Å; P545-S548 WeakPolarHBondContact O-CB 3.41Å; P545-S548 PolarHBondContact O-N 3.33Å; S548-Q552 PolarHBondContact O-N 3.29Å; S548-K606 WeakPolarHBondContact O-CE 3.47Å; S548-K606 WeakPolarHBondContact OG-CE 3.45Å
549E89.9Confident89.7Confident150 Ų15065.3 Ų65.370%0.70132%0.319SS*.THydrogen-bonded Turntrans-69.4-52.7178.2-177.4179.6-138.500112.4P545 V547 Y551 Q552P545-E549 WeakPolarHBondContact O-CB 3.2Å; P545-E549 PolarHBondContact O-N 2.94Å; V547-E549 VanDerWaalsContact C-N 3.26Å; V547-E549 PolarHBondContact O-N 3.33Å; E549-Y551 VanDerWaalsContact C-N 3.25Å; E549-Y551 PolarHBondContact O-N 3.26Å; E549-Q552 WeakPolarHBondContact O-CB 3.45Å; E549-Q552 PolarHBondContact O-N 3.27Å
550R91.7Very high89.9Confident152 Ų15266.1 Ų66.157%0.57433%0.327SS*.THydrogen-bonded Turntrans-68.2-19.1-177.2-78.5-175.2-64.7162.23114.8P484 E546 V547P484-R550 VanDerWaalsContact CD-O 3.27Å; P484-R550 WeakPolarHBondContact CD-O 3.38Å; P484-R550 WeakPolarHBondContact CG-O 3.44Å; E546-R550 VanDerWaalsContact O-CZ 3.26Å; E546-R550 PolarHBondContact O-NE 3.18Å; E546-R550 PolarHBondContact O-NH2 2.93Å; V547-R550 PolarHBondContact O-N 2.87Å
551Y95.2Very high90.2Very high15 Ų1557.4 Ų57.46%0.05930%0.295CS..THydrogen-bonded Turntrans-102.710.2172.3-71.6-100.6000112.4P484 D486 A487 Y542 V547 E549 L553 K606 F607 K609P484-Y551 HydrophobicContact CB-CD1 4.49Å; P484-Y551 HydrophobicContact CB-CE1 3.82Å; P484-Y551 HydrophobicContact CB-CE2 4.23Å; P484-Y551 HydrophobicContact CG-CD1 4.11Å; P484-Y551 HydrophobicContact CG-CD2 4.04Å; P484-Y551 HydrophobicContact CG-CE1 3.89Å; P484-Y551 HydrophobicContact CG-CE2 3.85Å; P484-Y551 HydrophobicContact CG-CG 4.19Å; D486-Y551 PolarHBondContact OD1-OH 2.86Å; D486-Y551 PolarHBondContact OD2-OH 2.66Å; A487-Y551 HydrophobicContact CB-CD1 4.24Å; A487-Y551 HydrophobicContact CB-CE1 4.21Å; Y542-Y551 HydrophobicContact CE1-CD1 4.34Å; Y542-Y551 HydrophobicContact CE1-CG 4.04Å; V547-Y551 HydrophobicContact CG1-CD2 3.61Å; V547-Y551 HydrophobicContact CG1-CE2 3.78Å; V547-Y551 WeakPolarHBondContact O-CD2 3.39Å; V547-Y551 PolarHBondContact O-N 3.16Å; E549-Y551 VanDerWaalsContact C-N 3.25Å; E549-Y551 PolarHBondContact O-N 3.26Å; Y551-L553 PolarHBondContact O-N 3.41Å; Y551-K606 CarbonylContact O-C 3.53Å; Y551-K606 WeakPolarHBondContact O-CA 3.48Å; Y551-K606 WeakPolarHBondContact O-CB 3.21Å; Y551-K606 WeakPolarHBondContact O-CG 3.21Å; Y551-F607 HydrophobicContact CD1-CB 4.23Å; Y551-F607 WeakPolarHBondContact O-CD2 3.47Å; Y551-F607 PolarHBondContact O-N 2.87Å; Y551-K609 HydrophobicContact CE1-CB 4.07Å; Y551-K609 HydrophobicContact CE1-CG 4.17Å; Y551-K609 PolarHBondContact OH-NZ 3.2Å
552Q94.8Very high90.5Very high53 Ų5356.2 Ų56.225%0.24829%0.287CS..BIsolated β-bridgetrans-56.1131.3175.3-177.654.937.900110.7S548 E549 L554 A603 L605 F607S548-Q552 PolarHBondContact O-N 3.29Å; E549-Q552 WeakPolarHBondContact O-CB 3.45Å; E549-Q552 PolarHBondContact O-N 3.27Å; Q552-L554 PolarHBondContact O-N 3.46Å; Q552-A603 PolarHBondContact NE2-O 3.35Å; Q552-A603 VanDerWaalsContact NE2-O 3.13Å; Q552-A603 PolarHBondContact OE1-O 3.34Å; Q552-L605 PolarHBondContact NE2-O 2.64Å; Q552-L605 PolarHBondContact OE1-O 3.22Å; Q552-F607 WeakPolarHBondContact O-CD2 3.42Å; Q552-F607 VanDerWaalsContact O-CE2 3.3Å; Q552-F607 WeakPolarHBondContact O-CE2 3.34Å
553L94.5Very high90.8Very high7 Ų756.3 Ų56.34%0.03729%0.288CS..PPolyproline II helixtrans-69.6122.7-179.3-172.766.4000109.6Y551 F557 V558 Q562 C564 I578 L605 F607Y551-L553 PolarHBondContact O-N 3.41Å; L553-F557 HydrophobicContact CD1-CB 3.81Å; L553-V558 HydrophobicContact CD2-CG2 4.04Å; L553-V558 HydrophobicContact CG-CG2 4.19Å; L553-Q562 HydrophobicContact CD1-CG 4.23Å; L553-C564 HydrophobicContact CD2-CB 4.45Å; L553-I578 HydrophobicContact CD2-CD1 3.99Å; L553-L605 HydrophobicContact CB-CB 3.92Å; L553-L605 HydrophobicContact CD2-CB 3.78Å; L553-L605 HydrophobicContact CD2-CD1 3.73Å; L553-L605 HydrophobicContact CD2-CG 4.42Å; L553-L605 PolarHBondContact N-O 3.33Å; L553-L605 VanDerWaalsContact N-O 3.11Å; L553-F607 HydrophobicContact CD1-CD1 3.72Å; L553-F607 HydrophobicContact CD1-CD2 4.28Å; L553-F607 HydrophobicContact CD1-CE1 3.55Å; L553-F607 HydrophobicContact CD1-CE2 4.1Å; L553-F607 HydrophobicContact CD1-CG 4.11Å; L553-F607 HydrophobicContact CD1-CZ 3.76Å
554L91.1Very high91.3Very high49 Ų4952.1 Ų52.126%0.25726%0.262SS..PPolyproline II helixtrans-87.4147-179.8-57.2-177000111.1L483 Q552 P556 F557 F607 L728L483-L554 HydrophobicContact CD2-CD1 3.76Å; L483-L554 HydrophobicContact CD2-CG 4.25Å; L483-L554 HydrophobicContact CG-CD1 4.46Å; Q552-L554 PolarHBondContact O-N 3.46Å; L554-P556 VanDerWaalsContact C-CD 3.45Å; L554-F557 HydrophobicContact CB-CD2 4.28Å; L554-F557 PolarHBondContact O-N 3.05Å; L554-F607 HydrophobicContact CG-CE2 4.29Å; L554-L728 HydrophobicContact CD1-CD1 4.18Å
555E89.5Confident91.8Very high150 Ų15049.5 Ų49.570%0.70124%0.244SC*.G310 helixtrans-48.6-43-176.2-175.3171.7-154.400115.1F557 V558E555-F557 PolarHBondContact O-N 3.27Å; E555-V558 WeakPolarHBondContact O-CB 3.24Å; E555-V558 PolarHBondContact O-N 3.11Å
556P89.1Confident92.3Very high39 Ų3945.1 Ų45.125%0.25322%0.216SC..G310 helixtrans-62.3-18.6178.4-23.234.9000114.8L554 I720L554-P556 VanDerWaalsContact C-CD 3.45Å; P556-I720 HydrophobicContact CB-CD1 4.31Å; P556-I720 HydrophobicContact CB-CG1 4.35Å; P556-I720 HydrophobicContact CB-CG2 3.59Å; P556-I720 WeakPolarHBondContact O-CD1 3.27Å; P556-I720 WeakPolarHBondContact O-CG1 3.35Å
557F91.6Very high92.5Very high3 Ų340.9 Ų40.91%0.01320%0.198CC..G310 helixtrans-97.4-0.2177.5-62.9-99.9000112.5L483 Q489 L553 L554 E555 R559 Q562 F607 I720 I725L483-F557 HydrophobicContact CD1-CE1 4.2Å; L483-F557 HydrophobicContact CD1-CE2 3.62Å; L483-F557 HydrophobicContact CD1-CZ 3.4Å; Q489-F557 HydrophobicContact CB-CD1 4.42Å; Q489-F557 HydrophobicContact CB-CE1 3.96Å; Q489-F557 HydrophobicContact CG-CD1 4.4Å; Q489-F557 HydrophobicContact CG-CE1 3.77Å; L553-F557 HydrophobicContact CD1-CB 3.81Å; L554-F557 HydrophobicContact CB-CD2 4.28Å; L554-F557 PolarHBondContact O-N 3.05Å; E555-F557 PolarHBondContact O-N 3.27Å; F557-R559 VanDerWaalsContact C-N 3.35Å; F557-R559 PolarHBondContact O-N 2.86Å; F557-Q562 VanDerWaalsContact O-CG 3.23Å; F557-Q562 WeakPolarHBondContact O-CG 3.44Å; F557-Q562 PolarHBondContact O-OE1 3.06Å; F557-F607 HydrophobicContact CB-CE1 3.83Å; F557-F607 HydrophobicContact CB-CZ 3.9Å; F557-F607 AromaticContact CD1-CE1 3.67Å; F557-F607 HydrophobicContact CD1-CE1 3.67Å; F557-F607 HydrophobicContact CD1-CZ 4.02Å; F557-F607 HydrophobicContact CD2-CE1 4.24Å; F557-F607 AromaticContact CD2-CZ 3.74Å; F557-F607 HydrophobicContact CD2-CZ 3.74Å; F557-F607 HydrophobicContact CE1-CE1 4.29Å; F557-F607 HydrophobicContact CE2-CZ 4.28Å; F557-F607 AromaticContact CG-CE1 3.64Å; F557-F607 HydrophobicContact CG-CE1 3.64Å; F557-F607 AromaticContact CG-CZ 3.6Å; F557-F607 HydrophobicContact CG-CZ 3.6Å; F557-I720 HydrophobicContact CB-CD1 4.45Å; F557-I720 HydrophobicContact CD1-CD1 3.42Å; F557-I720 VanDerWaalsContact CD1-CD1 3.42Å; F557-I720 HydrophobicContact CD2-CD1 3.81Å; F557-I720 HydrophobicContact CE1-CD1 3.4Å; F557-I720 HydrophobicContact CE2-CD1 3.77Å; F557-I720 HydrophobicContact CE2-CG2 4.42Å; F557-I720 HydrophobicContact CG-CD1 3.63Å; F557-I720 HydrophobicContact CZ-CD1 3.57Å; F557-I725 HydrophobicContact CE2-CD1 3.98Å; F557-I725 HydrophobicContact CE2-CG1 4.34Å; F557-I725 HydrophobicContact CZ-CD1 3.9Å
558V93.7Very high92Very high23 Ų2342.6 Ų42.614%0.13921%0.21CC..  trans-8281.9178.1-175.70000109.6L553 E555 I578 V581 V587 I602L553-V558 HydrophobicContact CD2-CG2 4.04Å; L553-V558 HydrophobicContact CG-CG2 4.19Å; E555-V558 WeakPolarHBondContact O-CB 3.24Å; E555-V558 PolarHBondContact O-N 3.11Å; V558-I578 HydrophobicContact CG1-CD1 4.13Å; V558-V581 HydrophobicContact CG1-CG2 4.32Å; V558-V587 HydrophobicContact CG1-CG1 3.91Å; V558-I602 HydrophobicContact CG1-CD1 3.76Å; V558-I602 HydrophobicContact CG1-CG1 3.93Å; V558-I602 HydrophobicContact CG1-CG2 4.38Å; V558-I602 HydrophobicContact CG2-CG2 3.71Å
559R91.7Very high91.4Very high25 Ų2545.8 Ų45.89%0.09422%0.224CC..SBendtrans-141.7152.7-174.361.4-153.6168.7152.16.2111.1Q489 N490 F557 G561 Q562 I578 L717 P718Q489-R559 PolarHBondContact O-NH2 3.27Å; N490-R559 PolarHBondContact OD1-NH2 3.07Å; F557-R559 VanDerWaalsContact C-N 3.35Å; F557-R559 PolarHBondContact O-N 2.86Å; R559-G561 PolarHBondContact O-N 3.41Å; R559-Q562 HydrophobicContact CG-CB 4.27Å; R559-Q562 VanDerWaalsContact NH2-OE1 3.12Å; R559-Q562 WeakPolarHBondContact O-CB 3.08Å; R559-Q562 PolarHBondContact O-N 2.68Å; R559-Q562 VanDerWaalsContact O-N 3.13Å; R559-I578 WeakPolarHBondContact O-CB 3.49Å; R559-L717 HydrophobicContact CG-CD1 4.37Å; R559-L717 HydrophobicContact CG-CD2 4.33Å; R559-P718 PolarHBondContact NH1-O 2.98Å
560Q91.1Very high90.6Very high107 Ų10742.4 Ų42.450%0.522%0.222SC..THydrogen-bonded Turntrans-56.2137.7176.5-179.7172.624.200110.6Q562 I578 H579 Y709 L717Q560-Q562 VanDerWaalsContact C-N 3.3Å; Q560-Q562 PolarHBondContact O-N 3.36Å; Q560-I578 WeakPolarHBondContact CA-O 3.42Å; Q560-H579 WeakPolarHBondContact CG-O 3.41Å; Q560-H579 PolarHBondContact NE2-O 2.75Å; Q560-Y709 HydrophobicContact CG-CE1 3.95Å; Q560-Y709 PolarHBondContact NE2-OH 2.91Å; Q560-L717 WeakPolarHBondContact O-CD2 3.46Å
561G89.9Confident89.8Confident5 Ų539.3 Ų39.35%0.05222%0.215CC..THydrogen-bonded Turntrans83.3-5.8-176.500000115.3R559 V563 I578R559-G561 PolarHBondContact O-N 3.41Å; G561-V563 PolarHBondContact O-N 3.24Å; G561-I578 PolarHBondContact N-O 3.31Å
562Q93.8Very high89.2Confident2 Ų241.4 Ų41.41%0.00922%0.223CC..  trans-63.7121.7173.9-174.865.654.600110.9M488 Q489 L553 F557 R559 Q560 V577 I578M488-Q562 PolarHBondContact O-NE2 2.91Å; Q489-Q562 PolarHBondContact O-NE2 3.35Å; Q489-Q562 PolarHBondContact O-OE1 3.37Å; L553-Q562 HydrophobicContact CD1-CG 4.23Å; F557-Q562 VanDerWaalsContact O-CG 3.23Å; F557-Q562 WeakPolarHBondContact O-CG 3.44Å; F557-Q562 PolarHBondContact O-OE1 3.06Å; R559-Q562 HydrophobicContact CG-CB 4.27Å; R559-Q562 VanDerWaalsContact NH2-OE1 3.12Å; R559-Q562 WeakPolarHBondContact O-CB 3.08Å; R559-Q562 PolarHBondContact O-N 2.68Å; R559-Q562 VanDerWaalsContact O-N 3.13Å; Q560-Q562 VanDerWaalsContact C-N 3.3Å; Q560-Q562 PolarHBondContact O-N 3.36Å; Q562-V577 WeakPolarHBondContact O-CA 3.32Å; Q562-I578 HydrophobicContact CB-CB 4.45Å; Q562-I578 HydrophobicContact CB-CD1 4.03Å; Q562-I578 HydrophobicContact CB-CG1 4.22Å; Q562-I578 PolarHBondContact O-N 2.7Å
563V95.4Very high89Confident2 Ų239.5 Ų39.51%0.01221%0.214CC..EExtended strand (participates in β ladder)trans-77.2130.2170.2-175.20000109.7M488 E491 L493 G561 V577 L608M488-V563 HydrophobicContact CE-CB 3.84Å; M488-V563 HydrophobicContact CE-CG1 3.75Å; M488-V563 HydrophobicContact CE-CG2 3.91Å; M488-V563 HydrophobicContact SD-CB 4.29Å; M488-V563 HydrophobicContact SD-CG1 3.8Å; E491-V563 VanDerWaalsContact O-CG2 3.25Å; E491-V563 WeakPolarHBondContact O-CG2 3.42Å; L493-V563 HydrophobicContact CD1-CG1 3.75Å; L493-V563 HydrophobicContact CD1-CG2 4.39Å; L493-V563 HydrophobicContact CD2-CG1 4.25Å; L493-V563 HydrophobicContact CG-CG1 3.82Å; L493-V563 HydrophobicContact CG-CG2 4.07Å; G561-V563 PolarHBondContact O-N 3.24Å; V563-V577 HydrophobicContact CG2-CG2 4.05Å; V563-L608 HydrophobicContact CG1-CB 4.02Å; V563-L608 HydrophobicContact CG1-CD2 3.6Å; V563-L608 HydrophobicContact CG1-CG 4.45Å
564C96.3Very high89Confident0 Ų040.8 Ų40.80%022%0.219CC..EExtended strand (participates in β ladder)trans-151.7-176.3-177.352.60000111.5L553 V576 K606L553-C564 HydrophobicContact CD2-CB 4.45Å; C564-V576 PolarHBondContact N-O 2.66Å; C564-V576 PolarHBondContact O-N 3.24Å; C564-K606 CarbonylContact C-O 3.57Å; C564-K606 VanDerWaalsContact CA-O 3.31Å; C564-K606 WeakPolarHBondContact CA-O 3.3Å; C564-K606 WeakPolarHBondContact CB-O 3.44Å
565C97.4Very high89.3Confident0 Ų038.6 Ų38.60%021%0.207CC..EExtended strand (participates in β ladder)trans-131.8156.7169.2680000111.8M538 Y542 Y574 L605 K606 L608M538-C565 HydrophobicContact CE-CB 3.49Å; M538-C565 VanDerWaalsContact CE-CB 3.49Å; Y542-C565 VanDerWaalsContact CE2-SG 3.52Å; C565-Y574 WeakPolarHBondContact CA-O 3.23Å; C565-Y574 VanDerWaalsContact CB-O 3.23Å; C565-Y574 WeakPolarHBondContact CB-O 3.46Å; C565-L605 WeakPolarHBondContact O-CA 3.07Å; C565-K606 PolarHBondContact N-O 3.39Å; C565-K606 PolarHBondContact O-N 2.98Å; C565-L608 HydrophobicContact CB-CD1 4.04Å
566V96.3Very high89.7Confident0 Ų031.5 Ų31.50%017%0.174CC..EExtended strand (participates in β ladder)trans-141.6152.4-178.467.70000110.8P568 F573 Y574 V576 Y591 V600 S604 L605V566-P568 HydrophobicContact CG2-CG 4.47Å; V566-F573 WeakPolarHBondContact O-CA 3.31Å; V566-Y574 PolarHBondContact N-O 3.1Å; V566-Y574 VanDerWaalsContact N-O 3.13Å; V566-Y574 PolarHBondContact O-N 2.83Å; V566-V576 HydrophobicContact CB-CG2 4.17Å; V566-V576 HydrophobicContact CG1-CB 4.48Å; V566-V576 HydrophobicContact CG1-CG1 3.73Å; V566-V576 HydrophobicContact CG1-CG2 3.86Å; V566-Y591 HydrophobicContact CG1-CE1 4.2Å; V566-Y591 WeakPolarHBondContact CG1-OH 3.46Å; V566-V600 HydrophobicContact CG2-CB 4.43Å; V566-V600 HydrophobicContact CG2-CG1 4.22Å; V566-S604 WeakPolarHBondContact CG2-OG 3.41Å; V566-L605 HydrophobicContact CB-CD2 3.84Å; V566-L605 HydrophobicContact CG2-CD2 4Å
567S93.4Very high90Very high19 Ų1929.6 Ų29.613%0.13316%0.162CC..  trans-132.787.2172.3-169.30000110.5N569 A570 W572S567-N569 VanDerWaalsContact C-N 3.3Å; S567-N569 PolarHBondContact O-N 2.8Å; S567-A570 PolarHBondContact O-N 3.11Å; S567-A570 VanDerWaalsContact OG-CA 3.23Å; S567-A570 WeakPolarHBondContact OG-CA 3.44Å; S567-A570 PolarHBondContact OG-N 3.04Å; S567-W572 VanDerWaalsContact CA-O 3.3Å; S567-W572 WeakPolarHBondContact CA-O 3.32Å; S567-W572 WeakPolarHBondContact CB-O 3.42Å; S567-W572 PolarHBondContact OG-O 3.24Å
568P78.2Confident90.1Very high58 Ų5829.5 Ų29.538%0.37716%0.161SC..THydrogen-bonded Turntrans-59.5-40-173.6-25.535.1000113.1V566 Y591V566-P568 HydrophobicContact CG2-CG 4.47Å; P568-Y591 VanDerWaalsContact CG-OH 3.23Å; P568-Y591 WeakPolarHBondContact CG-OH 3.35Å
569N75.4Confident90.1Very high103 Ų10330.6 Ų30.655%0.55117%0.165SC*.THydrogen-bonded Turntrans-105.912.3-175.3-61.6-11.7000112.9S567 I571S567-N569 VanDerWaalsContact C-N 3.3Å; S567-N569 PolarHBondContact O-N 2.8Å; N569-I571 WeakPolarHBondContact O-CG1 3.44Å; N569-I571 PolarHBondContact O-N 3.3Å
570A72.3Confident90.1Very high78 Ų7834 Ų3465%0.64518%0.18SC*.SBendtrans56-2.3-171.800000117.1S567S567-A570 PolarHBondContact O-N 3.11Å; S567-A570 VanDerWaalsContact OG-CA 3.23Å; S567-A570 WeakPolarHBondContact OG-CA 3.44Å; S567-A570 PolarHBondContact OG-N 3.04Å
571I74.5Confident90.3Very high87 Ų8732 Ų3245%0.44618%0.175SC..SBendtrans-86.2-45.4-178.5-65164.1000111.9R539 N569R539-I571 WeakPolarHBondContact CD-O 3.38Å; R539-I571 WeakPolarHBondContact CG-O 3.27Å; R539-I571 PolarHBondContact NE-O 2.64Å; R539-I571 PolarHBondContact NH1-O 2.87Å; N569-I571 WeakPolarHBondContact O-CG1 3.44Å; N569-I571 PolarHBondContact O-N 3.3Å
572W84.1Confident90.5Very high60 Ų6035.1 Ų35.123%0.22719%0.191CC..  trans-128.1143.9-174.4-67121.8000110.7M535 F536 R539 S567 Y574M535-W572 HydrophobicContact CB-CE3 4.42Å; M535-W572 HydrophobicContact CE-CB 4.28Å; M535-W572 HydrophobicContact CE-CD2 4.45Å; M535-W572 HydrophobicContact CE-CG 4.31Å; F536-W572 AromaticContact CD1-CH2 3.9Å; F536-W572 HydrophobicContact CD1-CH2 3.9Å; F536-W572 AromaticContact CD1-CZ3 3.88Å; F536-W572 HydrophobicContact CD1-CZ3 3.88Å; F536-W572 AromaticContact CE1-CH2 3.56Å; F536-W572 HydrophobicContact CE1-CH2 3.56Å; F536-W572 HydrophobicContact CE1-CZ3 4.04Å; F536-W572 HydrophobicContact CG-CZ3 4.3Å; F536-W572 AromaticContact CZ-CH2 3.91Å; F536-W572 HydrophobicContact CZ-CH2 3.91Å; R539-W572 HydrophobicContact CB-CE3 4.34Å; S567-W572 VanDerWaalsContact CA-O 3.3Å; S567-W572 WeakPolarHBondContact CA-O 3.32Å; S567-W572 WeakPolarHBondContact CB-O 3.42Å; S567-W572 PolarHBondContact OG-O 3.24Å; W572-Y574 HydrophobicContact CB-CD2 4.4Å; W572-Y574 HydrophobicContact CB-CE2 3.58Å
573F89.8Confident90.5Very high13 Ų1338.6 Ų38.66%0.05721%0.209CC..  trans-105.3129.3173.3-77.4-100.4000109.3M538 Y542 V566 K606M538-F573 HydrophobicContact CB-CB 3.89Å; M538-F573 HydrophobicContact CE-CB 4.16Å; Y542-F573 VanDerWaalsContact CB-CZ 3.42Å; Y542-F573 HydrophobicContact CD2-CB 4.45Å; Y542-F573 AromaticContact CD2-CD1 3.97Å; Y542-F573 HydrophobicContact CD2-CD1 3.97Å; Y542-F573 HydrophobicContact CD2-CE1 4.48Å; Y542-F573 HydrophobicContact CD2-CG 4.2Å; Y542-F573 AromaticContact CG-CD1 3.99Å; Y542-F573 HydrophobicContact CG-CD1 3.99Å; Y542-F573 HydrophobicContact CG-CE1 4.04Å; Y542-F573 HydrophobicContact CG-CG 4.48Å; V566-F573 WeakPolarHBondContact O-CA 3.31Å; F573-K606 HydrophobicContact CE1-CD 4.13Å
574Y95.6Very high90.3Very high34 Ų3443.1 Ų43.113%0.13324%0.241CC..EExtended strand (participates in β ladder)trans-112146.5-177.6-61-92.1000109.9M535 C565 V566 W572 Y591 F594M535-Y574 HydrophobicContact CE-CD1 4.05Å; M535-Y574 HydrophobicContact CE-CE1 3.46Å; M535-Y574 VanDerWaalsContact CE-CE1 3.46Å; C565-Y574 WeakPolarHBondContact CA-O 3.23Å; C565-Y574 VanDerWaalsContact CB-O 3.23Å; C565-Y574 WeakPolarHBondContact CB-O 3.46Å; V566-Y574 PolarHBondContact N-O 3.1Å; V566-Y574 VanDerWaalsContact N-O 3.13Å; V566-Y574 PolarHBondContact O-N 2.83Å; W572-Y574 HydrophobicContact CB-CD2 4.4Å; W572-Y574 HydrophobicContact CB-CE2 3.58Å; Y574-Y591 HydrophobicContact CD1-CD1 4.14Å; Y574-Y591 HydrophobicContact CD1-CE1 4.21Å; Y574-Y591 HydrophobicContact CD2-CE1 4.03Å; Y574-Y591 AromaticContact CG-CD1 3.97Å; Y574-Y591 HydrophobicContact CG-CD1 3.97Å; Y574-Y591 AromaticContact CG-CE1 3.68Å; Y574-Y591 HydrophobicContact CG-CE1 3.68Å; Y574-F594 HydrophobicContact CD1-CD2 4.1Å; Y574-F594 AromaticContact CD1-CE2 3.68Å; Y574-F594 HydrophobicContact CD1-CE2 3.68Å; Y574-F594 HydrophobicContact CD1-CZ 4.42Å; Y574-F594 HydrophobicContact CE1-CD2 4.47Å; Y574-F594 AromaticContact CE1-CE2 3.91Å; Y574-F594 HydrophobicContact CE1-CE2 3.91Å; Y574-F594 HydrophobicContact CE1-CZ 4.22Å
575R97.1Very high90.2Very high3 Ų346.8 Ų46.81%0.01126%0.263CS..EExtended strand (participates in β ladder)trans-77.7134.9168.5-59.1-167.8-63.9174.56.6108.9M538 V592 D593 L608 F612 L615 P616M538-R575 HydrophobicContact CE-CG 3.84Å; M538-R575 HydrophobicContact SD-CG 3.65Å; R575-V592 HydrophobicContact CB-CG2 3.61Å; R575-D593 IonicContact CZ-OD1 3.55Å; R575-D593 IonicContact CZ-OD2 2.88Å; R575-D593 IonicContact NE-OD1 3.65Å; R575-D593 IonicContact NE-OD2 3.44Å; R575-D593 PolarHBondContact NE-OD2 3.44Å; R575-D593 IonicContact NH2-OD1 2.68Å; R575-D593 PolarHBondContact NH2-OD1 2.99Å; R575-D593 IonicContact NH2-OD2 3.17Å; R575-D593 PolarHBondContact NH2-OD2 2.96Å; R575-L608 HydrophobicContact CB-CD2 4.5Å; R575-L608 HydrophobicContact CG-CD1 4.07Å; R575-L608 HydrophobicContact CG-CD2 4.11Å; R575-F612 VanDerWaalsContact CD-O 3.29Å; R575-F612 WeakPolarHBondContact CD-O 3.25Å; R575-F612 PolarHBondContact NH1-O 3.03Å; R575-L615 PolarHBondContact NH1-O 2.84Å; R575-L615 PolarHBondContact NH2-O 3.47Å; R575-P616 PolarHBondContact NH2-O 3.33Å
576V96.5Very high90.1Very high0 Ų049.9 Ų49.90%028%0.278CS..EExtended strand (participates in β ladder)trans-142.7159.6-179.3-74.30000111.1C564 V566 V589 F590 Y591 L605C564-V576 PolarHBondContact N-O 2.66Å; C564-V576 PolarHBondContact O-N 3.24Å; V566-V576 HydrophobicContact CB-CG2 4.17Å; V566-V576 HydrophobicContact CG1-CB 4.48Å; V566-V576 HydrophobicContact CG1-CG1 3.73Å; V566-V576 HydrophobicContact CG1-CG2 3.86Å; V576-V589 HydrophobicContact CB-CB 4.03Å; V576-V589 HydrophobicContact CB-CG2 4.11Å; V576-V589 HydrophobicContact CG1-CB 4.31Å; V576-V589 HydrophobicContact CG1-CG2 3.87Å; V576-V589 HydrophobicContact CG2-CB 4.43Å; V576-V589 HydrophobicContact CG2-CG2 4.43Å; V576-F590 CarbonylContact C-O 3.56Å; V576-F590 VanDerWaalsContact CA-O 3.25Å; V576-F590 WeakPolarHBondContact CA-O 3.34Å; V576-Y591 HydrophobicContact CG1-CD1 3.97Å; V576-Y591 HydrophobicContact CG1-CD2 3.62Å; V576-Y591 HydrophobicContact CG1-CE1 4.04Å; V576-Y591 HydrophobicContact CG1-CE2 3.65Å; V576-Y591 HydrophobicContact CG1-CG 3.76Å; V576-L605 HydrophobicContact CG2-CD2 4.49Å
577V95.5Very high90.2Very high0 Ų049.9 Ų49.90%028%0.278CS..EExtended strand (participates in β ladder)trans-120.4139.3165.1177.20000108.9L493 Q562 V563 H579 V589 F590 V592 Y709L493-V577 HydrophobicContact CD1-CG2 4.4Å; Q562-V577 WeakPolarHBondContact O-CA 3.32Å; V563-V577 HydrophobicContact CG2-CG2 4.05Å; V577-H579 PolarHBondContact O-N 2.88Å; V577-V589 CarbonylContact O-C 3.54Å; V577-V589 VanDerWaalsContact O-CA 3.29Å; V577-V589 WeakPolarHBondContact O-CA 3.44Å; V577-F590 PolarHBondContact N-O 3.09Å; V577-F590 PolarHBondContact O-N 3.43Å; V577-V592 HydrophobicContact CB-CG1 4.49Å; V577-V592 HydrophobicContact CG2-CG1 3.77Å; V577-Y709 HydrophobicContact CB-CG 4.37Å; V577-Y709 HydrophobicContact CG1-CD1 3.86Å; V577-Y709 HydrophobicContact CG1-CD2 4.22Å; V577-Y709 HydrophobicContact CG1-CG 3.71Å
578I94.9Very high90.3Very high0 Ų051.1 Ų51.10%028%0.281CS..EExtended strand (participates in β ladder)trans-62.8106.7170.5-60.3-174.3000108.7L553 V558 R559 Q560 G561 Q562 V581 V587 V589 L605L553-I578 HydrophobicContact CD2-CD1 3.99Å; V558-I578 HydrophobicContact CG1-CD1 4.13Å; R559-I578 WeakPolarHBondContact O-CB 3.49Å; Q560-I578 WeakPolarHBondContact CA-O 3.42Å; G561-I578 PolarHBondContact N-O 3.31Å; Q562-I578 HydrophobicContact CB-CB 4.45Å; Q562-I578 HydrophobicContact CB-CD1 4.03Å; Q562-I578 HydrophobicContact CB-CG1 4.22Å; Q562-I578 PolarHBondContact O-N 2.7Å; I578-V581 HydrophobicContact CG2-CG2 4Å; I578-V587 HydrophobicContact CG2-CB 4.21Å; I578-V587 HydrophobicContact CG2-CG1 4.34Å; I578-V589 HydrophobicContact CG1-CG1 4.35Å; I578-L605 HydrophobicContact CD1-CD1 4Å; I578-L605 HydrophobicContact CG1-CD1 4.24Å
579H92.4Very high91.1Very high47 Ų4748.4 Ų48.422%0.21826%0.263CS..EExtended strand (participates in β ladder)trans-73.7-40.4178.2-179.791.5000110.4Q560 V577 E588 F590 V597 Y709Q560-H579 WeakPolarHBondContact CG-O 3.41Å; Q560-H579 PolarHBondContact NE2-O 2.75Å; V577-H579 PolarHBondContact O-N 2.88Å; H579-E588 HydrophobicContact CB-CB 4.4Å; H579-E588 WeakPolarHBondContact CB-O 3.39Å; H579-E588 IonicContact CD2-OE2 2.63Å; H579-E588 PolarHBondContact N-O 2.78Å; H579-F590 HydrophobicContact CB-CB 4.34Å; H579-V597 HydrophobicContact CB-CG1 4.5Å; H579-Y709 HydrophobicContact CB-CE2 4.5Å; H579-Y709 AromaticContact ND1-CE2 3.62Å; H579-Y709 AromaticContact ND1-CZ 3.99Å; H579-Y709 PolarHBondContact ND1-OH 2.69Å; H579-Y709 PolarHBondContact O-OH 3.24Å
580K92.6Very high92.1Very high96 Ų9643.5 Ų43.542%0.41724%0.237SC..EExtended strand (participates in β ladder)trans-163.2136.7-176.4178.5-171.3168.8-156.50110.5L582 V587 E588K580-L582 HydrophobicContact CD-CD2 3.8Å; K580-L582 VanDerWaalsContact CE-CD2 3.45Å; K580-L582 HydrophobicContact CG-CD2 4.04Å; K580-V587 WeakPolarHBondContact O-CA 3.4Å; K580-V587 WeakPolarHBondContact O-CB 3.47Å; K580-E588 HydrophobicContact CB-CB 4.28Å; K580-E588 VanDerWaalsContact CD-OE2 3.3Å; K580-E588 WeakPolarHBondContact CD-OE2 3.43Å; K580-E588 PolarHBondContact N-O 2.76Å; K580-E588 IonicContact NZ-OE1 3.72Å; K580-E588 PolarHBondContact NZ-OE1 2.93Å; K580-E588 IonicContact NZ-OE2 2.72Å; K580-E588 PolarHBondContact O-N 2.73Å
581V94.7Very high93.1Very high64 Ų6440.4 Ų40.439%0.38821%0.209SC..EExtended strand (participates in β ladder)trans-86.4129.4171.3-178.20000108.7V558 I578 V587V558-V581 HydrophobicContact CG1-CG2 4.32Å; I578-V581 HydrophobicContact CG2-CG2 4Å; V581-V587 HydrophobicContact CB-CG1 4.26Å; V581-V587 HydrophobicContact CG1-CG1 4.15Å; V581-V587 HydrophobicContact CG2-CG1 4.07Å
582L93.6Very high94.1Very high72 Ų7236.3 Ų36.338%0.37719%0.188SC..  trans-100.5-41.1180-60.9-173.3000112.6K580 H586 E588 L599K580-L582 HydrophobicContact CD-CD2 3.8Å; K580-L582 VanDerWaalsContact CE-CD2 3.45Å; K580-L582 HydrophobicContact CG-CD2 4.04Å; L582-H586 PolarHBondContact N-O 3.36Å; L582-E588 HydrophobicContact CD1-CG 4.06Å; L582-E588 HydrophobicContact CD2-CG 4.3Å; L582-E588 WeakPolarHBondContact CD2-OE1 3.28Å; L582-E588 HydrophobicContact CG-CG 4.26Å; L582-L599 HydrophobicContact CD1-CD1 3.61Å
583N93.5Very high94.6Very high75 Ų7533.6 Ų33.640%0.40118%0.178SC..SBendtrans-165.3-179.8177.756.867.7000109.3T585 H586N583-T585 PolarHBondContact O-N 3.5Å; N583-T585 WeakPolarHBondContact OD1-CA 3.46Å; N583-T585 PolarHBondContact OD1-N 3.02Å; N583-T585 PolarHBondContact OD1-OG1 3.45Å; N583-H586 PolarHBondContact N-O 3.38Å; N583-H586 PolarHBondContact O-N 3.31Å; N583-H586 PolarHBondContact OD1-N 2.73Å
584S91.9Very high94.7Very high97 Ų9733.9 Ų33.968%0.67818%0.179SC*.SBendtrans-64.9-2.2179.952.50000115.8
585T94.3Very high94.4Very high76 Ų7632.6 Ų32.647%0.46618%0.176SC..SBendtrans-120.3-23.717967.50000114.5N583 P601 I602N583-T585 PolarHBondContact O-N 3.5Å; N583-T585 WeakPolarHBondContact OD1-CA 3.46Å; N583-T585 PolarHBondContact OD1-N 3.02Å; N583-T585 PolarHBondContact OD1-OG1 3.45Å; T585-P601 CarbonylContact O-C 3.55Å; T585-P601 WeakPolarHBondContact O-CA 3.18Å; T585-I602 PolarHBondContact O-N 3.3Å
586H96.1Very high94Very high66 Ų6634 Ų3431%0.30618%0.183SC..EExtended strand (participates in β ladder)trans-140.5146.2-170.4-73.883.9000113.5L582 N583 L599L582-H586 PolarHBondContact N-O 3.36Å; N583-H586 PolarHBondContact N-O 3.38Å; N583-H586 PolarHBondContact O-N 3.31Å; N583-H586 PolarHBondContact OD1-N 2.73Å; H586-L599 HydrophobicContact CB-CD1 3.96Å
587V97.1Very high93.8Very high0 Ų037.1 Ų37.10%020%0.203CC..EExtended strand (participates in β ladder)trans-137.7154177.1-60.60000111.5V558 I578 K580 V581 V589 V600 I602 L605V558-V587 HydrophobicContact CG1-CG1 3.91Å; I578-V587 HydrophobicContact CG2-CB 4.21Å; I578-V587 HydrophobicContact CG2-CG1 4.34Å; K580-V587 WeakPolarHBondContact O-CA 3.4Å; K580-V587 WeakPolarHBondContact O-CB 3.47Å; V581-V587 HydrophobicContact CB-CG1 4.26Å; V581-V587 HydrophobicContact CG1-CG1 4.15Å; V581-V587 HydrophobicContact CG2-CG1 4.07Å; V587-V589 HydrophobicContact CG2-CG1 3.71Å; V587-V600 HydrophobicContact CG2-CG2 4.01Å; V587-V600 PolarHBondContact N-O 2.98Å; V587-V600 PolarHBondContact O-N 3.43Å; V587-I602 HydrophobicContact CG1-CD1 4.01Å; V587-I602 HydrophobicContact CG1-CG1 3.74Å; V587-I602 HydrophobicContact CG2-CG1 4.4Å; V587-L605 HydrophobicContact CG2-CD1 3.78Å
588E96.3Very high93.6Very high45 Ų4539.1 Ų39.121%0.2122%0.215CC..EExtended strand (participates in β ladder)trans-86.1131163.9-65.6167-161.400108.2H579 K580 L582 V597H579-E588 HydrophobicContact CB-CB 4.4Å; H579-E588 WeakPolarHBondContact CB-O 3.39Å; H579-E588 IonicContact CD2-OE2 2.63Å; H579-E588 PolarHBondContact N-O 2.78Å; K580-E588 HydrophobicContact CB-CB 4.28Å; K580-E588 VanDerWaalsContact CD-OE2 3.3Å; K580-E588 WeakPolarHBondContact CD-OE2 3.43Å; K580-E588 PolarHBondContact N-O 2.76Å; K580-E588 IonicContact NZ-OE1 3.72Å; K580-E588 PolarHBondContact NZ-OE1 2.93Å; K580-E588 IonicContact NZ-OE2 2.72Å; K580-E588 PolarHBondContact O-N 2.73Å; L582-E588 HydrophobicContact CD1-CG 4.06Å; L582-E588 HydrophobicContact CD2-CG 4.3Å; L582-E588 WeakPolarHBondContact CD2-OE1 3.28Å; L582-E588 HydrophobicContact CG-CG 4.26Å; E588-V597 HydrophobicContact CB-CG1 3.97Å
589V95.8Very high93.6Very high0 Ų044.3 Ų44.30%024%0.242CC..EExtended strand (participates in β ladder)trans-124.3139.7177.4-56.30000111.6V576 V577 I578 V587 Y591 V597 T598 V600 L605V576-V589 HydrophobicContact CB-CB 4.03Å; V576-V589 HydrophobicContact CB-CG2 4.11Å; V576-V589 HydrophobicContact CG1-CB 4.31Å; V576-V589 HydrophobicContact CG1-CG2 3.87Å; V576-V589 HydrophobicContact CG2-CB 4.43Å; V576-V589 HydrophobicContact CG2-CG2 4.43Å; V577-V589 CarbonylContact O-C 3.54Å; V577-V589 VanDerWaalsContact O-CA 3.29Å; V577-V589 WeakPolarHBondContact O-CA 3.44Å; I578-V589 HydrophobicContact CG1-CG1 4.35Å; V587-V589 HydrophobicContact CG2-CG1 3.71Å; V589-Y591 HydrophobicContact CG2-CD2 4.34Å; V589-Y591 HydrophobicContact CG2-CE2 3.72Å; V589-V597 VanDerWaalsContact O-CA 3.3Å; V589-V597 WeakPolarHBondContact O-CA 3.29Å; V589-T598 PolarHBondContact N-O 3.04Å; V589-T598 PolarHBondContact O-N 3.3Å; V589-V600 HydrophobicContact CB-CG2 4.33Å; V589-V600 HydrophobicContact CG1-CG2 3.62Å; V589-V600 HydrophobicContact CG2-CG1 4.09Å; V589-V600 HydrophobicContact CG2-CG2 3.72Å; V589-L605 HydrophobicContact CG1-CD2 4.33Å
590F94.9Very high93.8Very high1 Ų142.4 Ų42.40%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-96.4126.1177.8175.9-110.5000110.5Y519 V576 V577 H579 V592 G595 D596 V597 P705 M710Y519-F590 HydrophobicContact CE1-CE2 4.16Å; Y519-F590 AromaticContact CE1-CZ 3.83Å; Y519-F590 HydrophobicContact CE1-CZ 3.83Å; Y519-F590 HydrophobicContact CE2-CE2 4.48Å; Y519-F590 AromaticContact CZ-CE2 3.85Å; Y519-F590 AromaticContact CZ-CZ 3.98Å; V576-F590 CarbonylContact C-O 3.56Å; V576-F590 VanDerWaalsContact CA-O 3.25Å; V576-F590 WeakPolarHBondContact CA-O 3.34Å; V577-F590 PolarHBondContact N-O 3.09Å; V577-F590 PolarHBondContact O-N 3.43Å; H579-F590 HydrophobicContact CB-CB 4.34Å; F590-V592 HydrophobicContact CD1-CG1 4Å; F590-V592 HydrophobicContact CE1-CG1 4.3Å; F590-V592 PolarHBondContact O-N 3.49Å; F590-G595 WeakPolarHBondContact CE2-O 3.31Å; F590-D596 WeakPolarHBondContact CA-O 3.33Å; F590-D596 WeakPolarHBondContact CD2-O 3.33Å; F590-V597 HydrophobicContact CB-CG2 4.25Å; F590-V597 HydrophobicContact CD2-CG2 3.81Å; F590-P705 HydrophobicContact CD1-CB 3.98Å; F590-P705 HydrophobicContact CD2-CB 4.06Å; F590-P705 HydrophobicContact CD2-CG 4.24Å; F590-P705 HydrophobicContact CE1-CB 3.93Å; F590-P705 HydrophobicContact CE2-CB 3.99Å; F590-P705 HydrophobicContact CE2-CG 4.12Å; F590-P705 HydrophobicContact CG-CB 4.05Å; F590-P705 HydrophobicContact CZ-CB 3.94Å; F590-P705 HydrophobicContact CZ-CG 4.46Å; F590-M710 HydrophobicContact CE1-CE 3.82Å
591Y94.8Very high93.9Very high13 Ų1340.8 Ų40.85%0.05123%0.233CC..  trans-84.193.1179.5-76.3-116.8000108.9V566 P568 Y574 V576 V589 D593 F594 G595 D596 T598V566-Y591 HydrophobicContact CG1-CE1 4.2Å; V566-Y591 WeakPolarHBondContact CG1-OH 3.46Å; P568-Y591 VanDerWaalsContact CG-OH 3.23Å; P568-Y591 WeakPolarHBondContact CG-OH 3.35Å; Y574-Y591 HydrophobicContact CD1-CD1 4.14Å; Y574-Y591 HydrophobicContact CD1-CE1 4.21Å; Y574-Y591 HydrophobicContact CD2-CE1 4.03Å; Y574-Y591 AromaticContact CG-CD1 3.97Å; Y574-Y591 HydrophobicContact CG-CD1 3.97Å; Y574-Y591 AromaticContact CG-CE1 3.68Å; Y574-Y591 HydrophobicContact CG-CE1 3.68Å; V576-Y591 HydrophobicContact CG1-CD1 3.97Å; V576-Y591 HydrophobicContact CG1-CD2 3.62Å; V576-Y591 HydrophobicContact CG1-CE1 4.04Å; V576-Y591 HydrophobicContact CG1-CE2 3.65Å; V576-Y591 HydrophobicContact CG1-CG 3.76Å; V589-Y591 HydrophobicContact CG2-CD2 4.34Å; V589-Y591 HydrophobicContact CG2-CE2 3.72Å; Y591-D593 PolarHBondContact O-N 2.86Å; Y591-F594 PolarHBondContact O-N 3.3Å; Y591-G595 PolarHBondContact O-N 3.48Å; Y591-D596 WeakPolarHBondContact CB-OD1 3.28Å; Y591-D596 WeakPolarHBondContact CD2-OD2 3.49Å; Y591-D596 PolarHBondContact N-O 2.88Å; Y591-T598 WeakPolarHBondContact CE2-OG1 3.06Å
592V94.7Very high94Very high0 Ų038.8 Ų38.80%022%0.22CC..THydrogen-bonded Turntrans-56-20.1-173.8-60.90000114.8L493 R575 V577 F590 A617 Q618 A619 M710L493-V592 HydrophobicContact CD1-CB 4.27Å; L493-V592 HydrophobicContact CD1-CG1 3.96Å; L493-V592 HydrophobicContact CD1-CG2 3.83Å; R575-V592 HydrophobicContact CB-CG2 3.61Å; V577-V592 HydrophobicContact CB-CG1 4.49Å; V577-V592 HydrophobicContact CG2-CG1 3.77Å; F590-V592 HydrophobicContact CD1-CG1 4Å; F590-V592 HydrophobicContact CE1-CG1 4.3Å; F590-V592 PolarHBondContact O-N 3.49Å; V592-A617 HydrophobicContact CB-CB 4.06Å; V592-Q618 PolarHBondContact O-N 2.83Å; V592-A619 WeakPolarHBondContact O-CB 3.47Å; V592-A619 PolarHBondContact O-N 2.93Å; V592-A619 VanDerWaalsContact O-N 3.12Å; V592-M710 HydrophobicContact CB-CE 3.75Å; V592-M710 HydrophobicContact CG1-CE 3.72Å
593D94.2Very high94Very high3 Ų339 Ų392%0.01623%0.232CC..THydrogen-bonded Turntrans-101.4-9.3-179.3-64.1-44.2000114.1R521 L531 R575 Y591 Q618R521-D593 WeakPolarHBondContact CD-O 3.29Å; L531-D593 HydrophobicContact CD1-CB 3.73Å; L531-D593 HydrophobicContact CD2-CB 4.17Å; R575-D593 IonicContact CZ-OD1 3.55Å; R575-D593 IonicContact CZ-OD2 2.88Å; R575-D593 IonicContact NE-OD1 3.65Å; R575-D593 IonicContact NE-OD2 3.44Å; R575-D593 PolarHBondContact NE-OD2 3.44Å; R575-D593 IonicContact NH2-OD1 2.68Å; R575-D593 PolarHBondContact NH2-OD1 2.99Å; R575-D593 IonicContact NH2-OD2 3.17Å; R575-D593 PolarHBondContact NH2-OD2 2.96Å; Y591-D593 PolarHBondContact O-N 2.86Å; D593-Q618 HydrophobicContact CB-CB 4.15Å; D593-Q618 PolarHBondContact OD1-N 3.42Å
594F91.1Very high94Very high20 Ų2037 Ų379%0.08822%0.224CC..THydrogen-bonded Turntrans-131-22-174.9-64.1-87.3000114.7E510 Q511 L531 M535 Y574 Y591 D596E510-F594 WeakPolarHBondContact CB-O 3.22Å; Q511-F594 WeakPolarHBondContact CG-O 3.41Å; L531-F594 HydrophobicContact CD2-CE2 4.49Å; L531-F594 HydrophobicContact CD2-CZ 4.15Å; M535-F594 HydrophobicContact CE-CZ 4.42Å; M535-F594 HydrophobicContact SD-CE2 4.25Å; M535-F594 HydrophobicContact SD-CZ 3.9Å; Y574-F594 HydrophobicContact CD1-CD2 4.1Å; Y574-F594 AromaticContact CD1-CE2 3.68Å; Y574-F594 HydrophobicContact CD1-CE2 3.68Å; Y574-F594 HydrophobicContact CD1-CZ 4.42Å; Y574-F594 HydrophobicContact CE1-CD2 4.47Å; Y574-F594 AromaticContact CE1-CE2 3.91Å; Y574-F594 HydrophobicContact CE1-CE2 3.91Å; Y574-F594 HydrophobicContact CE1-CZ 4.22Å; Y591-F594 PolarHBondContact O-N 3.3Å; F594-D596 WeakPolarHBondContact CB-OD1 3.46Å
595G90Very high94.3Very high6 Ų632.4 Ų32.46%0.06219%0.192CC..  trans93.8-4172.800000115.7Y519 F590 Y591Y519-G595 VanDerWaalsContact CE2-O 3.3Å; Y519-G595 WeakPolarHBondContact CE2-O 3.43Å; F590-G595 WeakPolarHBondContact CE2-O 3.31Å; Y591-G595 PolarHBondContact O-N 3.48Å
596D89.3Confident94.4Very high32 Ų3229.6 Ų29.617%0.17117%0.173CC..  trans-8415717858.8-68.6000113.3Q511 F590 Y591 F594 T598Q511-D596 HydrophobicContact CG-CB 3.96Å; F590-D596 WeakPolarHBondContact CA-O 3.33Å; F590-D596 WeakPolarHBondContact CD2-O 3.33Å; Y591-D596 WeakPolarHBondContact CB-OD1 3.28Å; Y591-D596 WeakPolarHBondContact CD2-OD2 3.49Å; Y591-D596 PolarHBondContact N-O 2.88Å; F594-D596 WeakPolarHBondContact CB-OD1 3.46Å; D596-T598 WeakPolarHBondContact OD2-CG2 3.37Å
597V91.6Very high94.4Very high66 Ų6626.5 Ų26.540%0.416%0.159SC..EExtended strand (participates in β ladder)trans-115.7125.3167179.40000107.9H579 E588 V589 F590H579-V597 HydrophobicContact CB-CG1 4.5Å; E588-V597 HydrophobicContact CB-CG1 3.97Å; V589-V597 VanDerWaalsContact O-CA 3.3Å; V589-V597 WeakPolarHBondContact O-CA 3.29Å; F590-V597 HydrophobicContact CB-CG2 4.25Å; F590-V597 HydrophobicContact CD2-CG2 3.81Å
598T91.6Very high94.4Very high42 Ų4226.5 Ų26.526%0.25816%0.159SC..EExtended strand (participates in β ladder)trans-131154.2175.7610000112.8V589 Y591 D596V589-T598 PolarHBondContact N-O 3.04Å; V589-T598 PolarHBondContact O-N 3.3Å; Y591-T598 WeakPolarHBondContact CE2-OG1 3.06Å; D596-T598 WeakPolarHBondContact OD2-CG2 3.37Å
599L96Very high94.4Very high110 Ų11026.4 Ų26.458%0.57616%0.158SC*.EExtended strand (participates in β ladder)trans-82.1124.3176.9177.462.9000109.8L582 H586L582-L599 HydrophobicContact CD1-CD1 3.61Å; H586-L599 HydrophobicContact CB-CD1 3.96Å
600V95.6Very high94.2Very high7 Ų728.5 Ų28.54%0.04217%0.172CC..EExtended strand (participates in β ladder)trans-134.6147.7179.4-60.10000112.2V566 V587 V589 L605V566-V600 HydrophobicContact CG2-CB 4.43Å; V566-V600 HydrophobicContact CG2-CG1 4.22Å; V587-V600 HydrophobicContact CG2-CG2 4.01Å; V587-V600 PolarHBondContact N-O 2.98Å; V587-V600 PolarHBondContact O-N 3.43Å; V589-V600 HydrophobicContact CB-CG2 4.33Å; V589-V600 HydrophobicContact CG1-CG2 3.62Å; V589-V600 HydrophobicContact CG2-CG1 4.09Å; V589-V600 HydrophobicContact CG2-CG2 3.72Å; V600-L605 HydrophobicContact CG2-CD2 3.92Å; V600-L605 HydrophobicContact CG2-CG 4.48Å
601P95.8Very high94.1Very high61 Ų6131.5 Ų31.540%0.39619%0.193SC..EExtended strand (participates in β ladder)trans-68.8139.1171.4-15.829.6000111T585 A603 S604T585-P601 CarbonylContact O-C 3.55Å; T585-P601 WeakPolarHBondContact O-CA 3.18Å; P601-A603 PolarHBondContact O-N 3.35Å; P601-S604 WeakPolarHBondContact O-CB 3.4Å; P601-S604 PolarHBondContact O-N 3.41Å; P601-S604 PolarHBondContact O-OG 2.93Å
602I95.8Very high94.2Very high23 Ų2331.7 Ų31.712%0.11819%0.194CC..G310 helixtrans-55.6-40.3178.7-71.5164.2000111.4V558 T585 V587 S604 L605V558-I602 HydrophobicContact CG1-CD1 3.76Å; V558-I602 HydrophobicContact CG1-CG1 3.93Å; V558-I602 HydrophobicContact CG1-CG2 4.38Å; V558-I602 HydrophobicContact CG2-CG2 3.71Å; T585-I602 PolarHBondContact O-N 3.3Å; V587-I602 HydrophobicContact CG1-CD1 4.01Å; V587-I602 HydrophobicContact CG1-CG1 3.74Å; V587-I602 HydrophobicContact CG2-CG1 4.4Å; I602-S604 PolarHBondContact O-N 3.11Å; I602-S604 VanDerWaalsContact O-N 3.08Å; I602-L605 WeakPolarHBondContact O-CB 3.37Å; I602-L605 PolarHBondContact O-N 3.38Å
603A93.5Very high94.1Very high76 Ų7632.9 Ų32.963%0.62820%0.203SC*.G310 helixtrans-59.9-19.4177.700000114.3Q552 P601Q552-A603 PolarHBondContact NE2-O 3.35Å; Q552-A603 VanDerWaalsContact NE2-O 3.13Å; Q552-A603 PolarHBondContact OE1-O 3.34Å; P601-A603 PolarHBondContact O-N 3.35Å
604S94.3Very high94Very high34 Ų3437.7 Ų37.724%0.23823%0.232CC..G310 helixtrans-75.1-28.5174.572.20000112.9V566 P601 I602 K606V566-S604 WeakPolarHBondContact CG2-OG 3.41Å; P601-S604 WeakPolarHBondContact O-CB 3.4Å; P601-S604 PolarHBondContact O-N 3.41Å; P601-S604 PolarHBondContact O-OG 2.93Å; I602-S604 PolarHBondContact O-N 3.11Å; I602-S604 VanDerWaalsContact O-N 3.08Å; S604-K606 PolarHBondContact O-NZ 2.92Å; S604-K606 VanDerWaalsContact O-NZ 3.09Å
605L96.7Very high94.2Very high0 Ų037.9 Ų37.90%023%0.234CC..  trans-72.9144.9-170.6-60.2-177.9000113.1Q552 L553 C565 V566 V576 I578 V587 V589 V600 I602Q552-L605 PolarHBondContact NE2-O 2.64Å; Q552-L605 PolarHBondContact OE1-O 3.22Å; L553-L605 HydrophobicContact CB-CB 3.92Å; L553-L605 HydrophobicContact CD2-CB 3.78Å; L553-L605 HydrophobicContact CD2-CD1 3.73Å; L553-L605 HydrophobicContact CD2-CG 4.42Å; L553-L605 PolarHBondContact N-O 3.33Å; L553-L605 VanDerWaalsContact N-O 3.11Å; C565-L605 WeakPolarHBondContact O-CA 3.07Å; V566-L605 HydrophobicContact CB-CD2 3.84Å; V566-L605 HydrophobicContact CG2-CD2 4Å; V576-L605 HydrophobicContact CG2-CD2 4.49Å; I578-L605 HydrophobicContact CD1-CD1 4Å; I578-L605 HydrophobicContact CG1-CD1 4.24Å; V587-L605 HydrophobicContact CG2-CD1 3.78Å; V589-L605 HydrophobicContact CG1-CD2 4.33Å; V600-L605 HydrophobicContact CG2-CD2 3.92Å; V600-L605 HydrophobicContact CG2-CG 4.48Å; I602-L605 WeakPolarHBondContact O-CB 3.37Å; I602-L605 PolarHBondContact O-N 3.38Å
606K96.6Very high94.4Very high17 Ų1738.7 Ų38.77%0.07424%0.238CC..EExtended strand (participates in β ladder)trans-129.8151.2170.6-78.3129.2-166.7670111Y542 S548 Y551 C564 C565 F573 S604 L608Y542-K606 HydrophobicContact CD1-CB 4.39Å; Y542-K606 HydrophobicContact CD1-CD 4.43Å; Y542-K606 HydrophobicContact CE1-CB 4.19Å; S548-K606 WeakPolarHBondContact O-CE 3.47Å; S548-K606 WeakPolarHBondContact OG-CE 3.45Å; Y551-K606 CarbonylContact O-C 3.53Å; Y551-K606 WeakPolarHBondContact O-CA 3.48Å; Y551-K606 WeakPolarHBondContact O-CB 3.21Å; Y551-K606 WeakPolarHBondContact O-CG 3.21Å; C564-K606 CarbonylContact C-O 3.57Å; C564-K606 VanDerWaalsContact CA-O 3.31Å; C564-K606 WeakPolarHBondContact CA-O 3.3Å; C564-K606 WeakPolarHBondContact CB-O 3.44Å; C565-K606 PolarHBondContact N-O 3.39Å; C565-K606 PolarHBondContact O-N 2.98Å; F573-K606 HydrophobicContact CE1-CD 4.13Å; S604-K606 PolarHBondContact O-NZ 2.92Å; S604-K606 VanDerWaalsContact O-NZ 3.09Å; K606-L608 PolarHBondContact O-N 3.14Å
607F97Very high94.6Very high0 Ų037.1 Ų37.10%023%0.23CC..EExtended strand (participates in β ladder)trans-57131.4169.2-71.7-78.8000110.6L483 A487 M488 Y542 Y551 Q552 L553 L554 F557 K609L483-F607 HydrophobicContact CD1-CZ 4.35Å; L483-F607 HydrophobicContact CD2-CD2 4.15Å; L483-F607 HydrophobicContact CD2-CE2 3.35Å; L483-F607 HydrophobicContact CD2-CZ 3.64Å; A487-F607 HydrophobicContact CB-CB 3.75Å; A487-F607 HydrophobicContact CB-CD1 4.36Å; A487-F607 HydrophobicContact CB-CG 4.04Å; M488-F607 WeakPolarHBondContact O-CD1 3.37Å; Y542-F607 PolarHBondContact OH-O 3.46Å; Y551-F607 HydrophobicContact CD1-CB 4.23Å; Y551-F607 WeakPolarHBondContact O-CD2 3.47Å; Y551-F607 PolarHBondContact O-N 2.87Å; Q552-F607 WeakPolarHBondContact O-CD2 3.42Å; Q552-F607 VanDerWaalsContact O-CE2 3.3Å; Q552-F607 WeakPolarHBondContact O-CE2 3.34Å; L553-F607 HydrophobicContact CD1-CD1 3.72Å; L553-F607 HydrophobicContact CD1-CD2 4.28Å; L553-F607 HydrophobicContact CD1-CE1 3.55Å; L553-F607 HydrophobicContact CD1-CE2 4.1Å; L553-F607 HydrophobicContact CD1-CG 4.11Å; L553-F607 HydrophobicContact CD1-CZ 3.76Å; L554-F607 HydrophobicContact CG-CE2 4.29Å; F557-F607 HydrophobicContact CB-CE1 3.83Å; F557-F607 HydrophobicContact CB-CZ 3.9Å; F557-F607 AromaticContact CD1-CE1 3.67Å; F557-F607 HydrophobicContact CD1-CE1 3.67Å; F557-F607 HydrophobicContact CD1-CZ 4.02Å; F557-F607 HydrophobicContact CD2-CE1 4.24Å; F557-F607 AromaticContact CD2-CZ 3.74Å; F557-F607 HydrophobicContact CD2-CZ 3.74Å; F557-F607 HydrophobicContact CE1-CE1 4.29Å; F557-F607 HydrophobicContact CE2-CZ 4.28Å; F557-F607 AromaticContact CG-CE1 3.64Å; F557-F607 HydrophobicContact CG-CE1 3.64Å; F557-F607 AromaticContact CG-CZ 3.6Å; F557-F607 HydrophobicContact CG-CZ 3.6Å; F607-K609 PolarHBondContact O-N 2.84Å
608L97.2Very high94.7Very high0 Ų034.5 Ų34.50%021%0.213CC..PPolyproline II helixtrans-71.7127.7172.9-170.664.9000109M488 L493 M538 Y542 V563 C565 R575 K606 F612M488-L608 WeakPolarHBondContact CB-O 3.44Å; M488-L608 WeakPolarHBondContact CG-O 3.32Å; M488-L608 PolarHBondContact N-O 3.21Å; M488-L608 HydrophobicContact SD-CB 3.92Å; M488-L608 HydrophobicContact SD-CD2 3.75Å; M488-L608 HydrophobicContact SD-CG 4Å; L493-L608 HydrophobicContact CD2-CD2 4.18Å; M538-L608 HydrophobicContact CE-CD1 3.66Å; M538-L608 HydrophobicContact SD-CD1 4.15Å; Y542-L608 WeakPolarHBondContact OH-CA 3.37Å; V563-L608 HydrophobicContact CG1-CB 4.02Å; V563-L608 HydrophobicContact CG1-CD2 3.6Å; V563-L608 HydrophobicContact CG1-CG 4.45Å; C565-L608 HydrophobicContact CB-CD1 4.04Å; R575-L608 HydrophobicContact CB-CD2 4.5Å; R575-L608 HydrophobicContact CG-CD1 4.07Å; R575-L608 HydrophobicContact CG-CD2 4.11Å; K606-L608 PolarHBondContact O-N 3.14Å; L608-F612 HydrophobicContact CD1-CB 3.73Å; L608-F612 HydrophobicContact CD1-CD2 4.19Å; L608-F612 HydrophobicContact CD1-CG 4.47Å; L608-F612 HydrophobicContact CG-CB 4.13Å
609K95.1Very high94.9Very high43 Ų4332.6 Ų32.619%0.18720%0.201CC..BIsolated β-bridgetrans-71.3132.5174.8-172.4-175.3-175.963.50108.8D486 Y542 Y551 F607 S611 F612D486-K609 CarbonylContact O-C 3.51Å; D486-K609 WeakPolarHBondContact O-CA 3.25Å; D486-K609 IonicContact OD1-NZ 3.96Å; D486-K609 IonicContact OD2-NZ 3.13Å; D486-K609 PolarHBondContact OD2-NZ 2.94Å; Y542-K609 PolarHBondContact OH-N 3.42Å; Y551-K609 HydrophobicContact CE1-CB 4.07Å; Y551-K609 HydrophobicContact CE1-CG 4.17Å; Y551-K609 PolarHBondContact OH-NZ 3.2Å; F607-K609 PolarHBondContact O-N 2.84Å; K609-S611 WeakPolarHBondContact CD-OG 3.35Å; K609-S611 PolarHBondContact O-N 2.92Å; K609-F612 HydrophobicContact CB-CD2 3.64Å; K609-F612 HydrophobicContact CB-CE2 3.83Å; K609-F612 HydrophobicContact CB-CG 4.46Å; K609-F612 HydrophobicContact CD-CD2 4.41Å; K609-F612 HydrophobicContact CD-CE2 3.86Å; K609-F612 HydrophobicContact CD-CZ 4.16Å; K609-F612 HydrophobicContact CG-CE2 4.46Å; K609-F612 WeakPolarHBondContact O-CA 3.33Å; K609-F612 VanDerWaalsContact O-CB 3.3Å; K609-F612 WeakPolarHBondContact O-CB 3.45Å; K609-F612 PolarHBondContact O-N 2.93Å
610S93.3Very high94.7Very high44 Ų4427.5 Ų27.531%0.30818%0.175SC..G310 helixtrans-61.5-20.4-172.761.60000114.5D486 F612 S613D486-S610 PolarHBondContact O-N 2.89Å; D486-S610 PolarHBondContact O-OG 3.38Å; S610-F612 PolarHBondContact O-N 2.97Å; S610-S613 PolarHBondContact O-N 2.71Å; S610-S613 PolarHBondContact O-OG 2.77Å
611S92.9Very high94.6Very high64 Ų6427.3 Ų27.345%0.44817%0.174SC..G310 helixtrans-62.8-20.9168.555.80000113.8K609K609-S611 WeakPolarHBondContact CD-OG 3.35Å; K609-S611 PolarHBondContact O-N 2.92Å
612F95.3Very high94.5Very high17 Ų1724.5 Ų24.58%0.07516%0.156CC..G310 helixtrans-97.7-3.1-178.8-55.7-34.9000113.3L534 D537 M538 C541 Y542 R575 L608 K609 S610L534-F612 HydrophobicContact CD1-CB 3.75Å; L534-F612 HydrophobicContact CD1-CD1 3.46Å; L534-F612 VanDerWaalsContact CD1-CD1 3.46Å; L534-F612 HydrophobicContact CD1-CE1 4.37Å; L534-F612 HydrophobicContact CD1-CG 3.89Å; D537-F612 HydrophobicContact CB-CE1 4.09Å; M538-F612 HydrophobicContact CB-CE2 4.48Å; M538-F612 HydrophobicContact CG-CB 4.26Å; M538-F612 HydrophobicContact CG-CD1 4.03Å; M538-F612 HydrophobicContact CG-CD2 3.52Å; M538-F612 HydrophobicContact CG-CE1 4.23Å; M538-F612 HydrophobicContact CG-CE2 3.76Å; M538-F612 HydrophobicContact CG-CG 3.68Å; M538-F612 HydrophobicContact CG-CZ 4.1Å; M538-F612 HydrophobicContact SD-CB 4.21Å; M538-F612 HydrophobicContact SD-CD2 4.36Å; M538-F612 HydrophobicContact SD-CG 4.28Å; C541-F612 HydrophobicContact CB-CE2 4.05Å; C541-F612 HydrophobicContact CB-CZ 3.82Å; Y542-F612 HydrophobicContact CD2-CE2 4.45Å; Y542-F612 AromaticContact CE2-CD2 3.91Å; Y542-F612 HydrophobicContact CE2-CD2 3.91Å; Y542-F612 AromaticContact CE2-CE2 3.67Å; Y542-F612 HydrophobicContact CE2-CE2 3.67Å; R575-F612 VanDerWaalsContact CD-O 3.29Å; R575-F612 WeakPolarHBondContact CD-O 3.25Å; R575-F612 PolarHBondContact NH1-O 3.03Å; L608-F612 HydrophobicContact CD1-CB 3.73Å; L608-F612 HydrophobicContact CD1-CD2 4.19Å; L608-F612 HydrophobicContact CD1-CG 4.47Å; L608-F612 HydrophobicContact CG-CB 4.13Å; K609-F612 HydrophobicContact CB-CD2 3.64Å; K609-F612 HydrophobicContact CB-CE2 3.83Å; K609-F612 HydrophobicContact CB-CG 4.46Å; K609-F612 HydrophobicContact CD-CD2 4.41Å; K609-F612 HydrophobicContact CD-CE2 3.86Å; K609-F612 HydrophobicContact CD-CZ 4.16Å; K609-F612 HydrophobicContact CG-CE2 4.46Å; K609-F612 WeakPolarHBondContact O-CA 3.33Å; K609-F612 VanDerWaalsContact O-CB 3.3Å; K609-F612 WeakPolarHBondContact O-CB 3.45Å; K609-F612 PolarHBondContact O-N 2.93Å; S610-F612 PolarHBondContact O-N 2.97Å
613S93.1Very high94.4Very high26 Ų2624 Ų2418%0.18215%0.153CC..SBendtrans-86.9-12.5174.373.30000114.1M488 S610 L615M488-S613 WeakPolarHBondContact SD-CB 3.25Å; S610-S613 PolarHBondContact O-N 2.71Å; S610-S613 PolarHBondContact O-OG 2.77Å; S613-L615 PolarHBondContact O-N 3.31Å
614V93.1Very high94.5Very high103 Ų10320.5 Ų20.562%0.62412%0.124SC*.SBendtrans-63.1-41.1-172.4-178.60000112.3N494N494-V614 PolarHBondContact ND2-O 3Å
615L93.7Very high94.4Very high24 Ų2418.9 Ų18.913%0.12611%0.112CC..SBendtrans-66.9132.5176.4-172.970.9000110E527 A530 L531 L534 R575 S613 Q618E527-L615 HydrophobicContact CB-CD1 4.24Å; E527-L615 HydrophobicContact CG-CD1 4.49Å; A530-L615 HydrophobicContact CB-CD1 3.64Å; A530-L615 HydrophobicContact CB-CD2 4.49Å; L531-L615 HydrophobicContact CB-CD2 4Å; L531-L615 HydrophobicContact CD1-CD2 4.23Å; L534-L615 HydrophobicContact CD2-CB 4.02Å; L534-L615 HydrophobicContact CD2-CD2 3.65Å; L534-L615 HydrophobicContact CD2-CG 4.49Å; R575-L615 PolarHBondContact NH1-O 2.84Å; R575-L615 PolarHBondContact NH2-O 3.47Å; S613-L615 PolarHBondContact O-N 3.31Å; L615-Q618 HydrophobicContact CD2-CG 4.21Å
616P94.1Very high94.1Very high23 Ų2319.3 Ų19.315%0.14912%0.117CC..PPolyproline II helixtrans-51.2150.3167.9-28.438.2000112.7R575 Q618R575-P616 PolarHBondContact NH2-O 3.33Å; P616-Q618 PolarHBondContact O-N 3.18Å; P616-Q618 PolarHBondContact O-NE2 3.39Å
617A94.4Very high93.9Very high0 Ų018.8 Ų18.80%012%0.115CC..PPolyproline II helixtrans-58.7130.4167.200000109.7N494 P496 V592 M710N494-A617 PolarHBondContact O-N 3.01Å; P496-A617 WeakPolarHBondContact CA-O 3.43Å; P496-A617 VanDerWaalsContact CB-O 3.25Å; P496-A617 WeakPolarHBondContact CB-O 3.36Å; P496-A617 HydrophobicContact CG-CB 4.32Å; P496-A617 WeakPolarHBondContact CG-O 3.36Å; V592-A617 HydrophobicContact CB-CB 4.06Å; A617-M710 HydrophobicContact CB-CE 3.42Å; A617-M710 VanDerWaalsContact CB-CE 3.42Å; A617-M710 HydrophobicContact CB-SD 3.42Å; A617-M710 WeakPolarHBondContact CB-SD 3.39Å
618Q94.8Very high93.7Very high11 Ų1121.5 Ų21.55%0.05113%0.128CC..  trans-90.5-17.7-169.3-63.6-66.6-75.700114.7E527 L531 V592 D593 L615 P616 V620E527-Q618 VanDerWaalsContact CB-OE1 3.27Å; E527-Q618 PolarHBondContact OE2-NE2 2.73Å; L531-Q618 HydrophobicContact CB-CG 4.23Å; L531-Q618 HydrophobicContact CD1-CG 4.26Å; L531-Q618 HydrophobicContact CD2-CB 4.17Å; L531-Q618 HydrophobicContact CD2-CG 4.08Å; L531-Q618 HydrophobicContact CG-CG 4.41Å; V592-Q618 PolarHBondContact O-N 2.83Å; D593-Q618 HydrophobicContact CB-CB 4.15Å; D593-Q618 PolarHBondContact OD1-N 3.42Å; L615-Q618 HydrophobicContact CD2-CG 4.21Å; P616-Q618 PolarHBondContact O-N 3.18Å; P616-Q618 PolarHBondContact O-NE2 3.39Å; Q618-V620 PolarHBondContact O-N 3.1Å
619A94Very high93.5Very high1 Ų122.3 Ų22.31%0.00813%0.133CC..  trans-81.8110.2178.300000111.9P496 Y519 V592 P621P496-A619 WeakPolarHBondContact CG-O 3.38Å; Y519-A619 HydrophobicContact CD1-CB 3.87Å; Y519-A619 HydrophobicContact CG-CB 4.47Å; V592-A619 WeakPolarHBondContact O-CB 3.47Å; V592-A619 PolarHBondContact O-N 2.93Å; V592-A619 VanDerWaalsContact O-N 3.12Å; A619-P621 WeakPolarHBondContact O-CD 3.31Å
620V93.6Very high93.3Very high3 Ų323 Ų232%0.01815%0.147CC..EExtended strand (participates in β ladder)trans-91.8115.3177.6-177.40000109.2P496 Y519 I520 F522 Q618 S622 L663P496-V620 HydrophobicContact CB-CG2 3.76Å; Y519-V620 VanDerWaalsContact CA-O 3.31Å; Y519-V620 WeakPolarHBondContact CA-O 3.36Å; I520-V620 HydrophobicContact CG1-CB 3.78Å; I520-V620 HydrophobicContact CG1-CG1 4.33Å; I520-V620 HydrophobicContact CG1-CG2 4.46Å; I520-V620 PolarHBondContact N-O 3.02Å; I520-V620 PolarHBondContact O-N 3.38Å; F522-V620 HydrophobicContact CD2-CG2 4.31Å; F522-V620 HydrophobicContact CE2-CG2 3.66Å; F522-V620 HydrophobicContact CZ-CG2 4.15Å; Q618-V620 PolarHBondContact O-N 3.1Å; V620-S622 PolarHBondContact O-OG 2.88Å; V620-L663 HydrophobicContact CG1-CB 3.82Å; V620-L663 HydrophobicContact CG1-CD2 4.07Å
621P93.1Very high92.9Very high4 Ų423.9 Ų23.93%0.02615%0.153CC..EExtended strand (participates in β ladder)trans-68136.7174.327-32.6000109.9F518 Y519 A619 V662 L663 T704 V706F518-P621 CarbonylContact O-C 3.38Å; Y519-P621 HydrophobicContact CD1-CB 4.09Å; Y519-P621 HydrophobicContact CE1-CB 3.72Å; Y519-P621 HydrophobicContact CE1-CG 4.4Å; A619-P621 WeakPolarHBondContact O-CD 3.31Å; P621-V662 HydrophobicContact CB-CG2 4.48Å; P621-V662 WeakPolarHBondContact O-CA 3.36Å; P621-L663 PolarHBondContact O-N 3.41Å; P621-T704 HydrophobicContact CB-CG2 4.29Å; P621-V706 HydrophobicContact CG-CB 4.24Å; P621-V706 HydrophobicContact CG-CG2 3.81Å
622S93.4Very high92.5Very high2 Ų229 Ų291%0.01418%0.175CC..EExtended strand (participates in β ladder)trans-144.5154.4-163.8-67.70000114.6F518 V620 L663F518-S622 WeakPolarHBondContact CD1-O 3.5Å; F518-S622 VanDerWaalsContact CE2-CB 3.47Å; F518-S622 PolarHBondContact N-O 3.08Å; F518-S622 VanDerWaalsContact N-O 3.13Å; F518-S622 PolarHBondContact O-N 3.33Å; V620-S622 PolarHBondContact O-OG 2.88Å; S622-L663 CarbonylContact C-O 3.45Å; S622-L663 WeakPolarHBondContact CA-O 3.48Å
623I93.3Very high92.3Very high13 Ų1333 Ų337%0.06720%0.201CC..EExtended strand (participates in β ladder)trans-132.1137176.8-67.2174.1000108.8A625 V662 L663 L665 C700I623-A625 PolarHBondContact O-N 3.45Å; I623-V662 HydrophobicContact CD1-CG1 3.82Å; I623-V662 HydrophobicContact CG1-CG1 3.78Å; I623-L663 PolarHBondContact N-O 3.4Å; I623-L665 PolarHBondContact O-N 2.94Å; I623-L665 VanDerWaalsContact O-N 3.11Å; I623-C700 HydrophobicContact CD1-CB 3.76Å
624L94.9Very high92.3Very high1 Ų134 Ų341%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-77116.5177.9-176.360.2000109.6P515 F518 I627 F642 L665 L667 I678 H679 L682P515-L624 HydrophobicContact CB-CB 4.39Å; P515-L624 HydrophobicContact CB-CD2 4.31Å; P515-L624 WeakPolarHBondContact O-CB 3.38Å; P515-L624 PolarHBondContact O-N 3.46Å; F518-L624 HydrophobicContact CE1-CB 4.01Å; F518-L624 HydrophobicContact CZ-CB 4.4Å; L624-I627 HydrophobicContact CB-CG2 4.2Å; L624-I627 HydrophobicContact CD2-CG2 3.88Å; L624-I627 HydrophobicContact CG-CG2 3.84Å; L624-F642 HydrophobicContact CD2-CD2 4.16Å; L624-F642 HydrophobicContact CD2-CE2 3.9Å; L624-L665 WeakPolarHBondContact CA-O 3.46Å; L624-L667 HydrophobicContact CD1-CB 4.07Å; L624-L667 HydrophobicContact CD1-CD1 4.31Å; L624-L667 HydrophobicContact CD1-CG 4.15Å; L624-I678 HydrophobicContact CD2-CG2 4.36Å; L624-H679 HydrophobicContact CD1-CB 4.28Å; L624-H679 HydrophobicContact CD2-CB 4.1Å; L624-H679 HydrophobicContact CG-CB 4.06Å; L624-L682 HydrophobicContact CD2-CD1 3.75Å
625A93.1Very high92.5Very high0 Ų031.9 Ų31.90%019%0.189CC..THydrogen-bonded Turntrans-70.2152.3-175.700000113I623 I627 Q664 L665 F666I623-A625 PolarHBondContact O-N 3.45Å; A625-I627 VanDerWaalsContact C-N 3.28Å; A625-I627 PolarHBondContact O-N 3.18Å; A625-Q664 HydrophobicContact CB-CG 3.72Å; A625-L665 PolarHBondContact N-O 3.04Å; A625-F666 HydrophobicContact CB-CD1 3.81Å; A625-F666 HydrophobicContact CB-CD2 3.77Å; A625-F666 HydrophobicContact CB-CE1 3.69Å; A625-F666 HydrophobicContact CB-CE2 3.62Å; A625-F666 HydrophobicContact CB-CG 3.86Å; A625-F666 HydrophobicContact CB-CZ 3.59Å; A625-F666 WeakPolarHBondContact O-CD1 3.43Å; A625-F666 WeakPolarHBondContact O-CE1 3.49Å
626G90.1Very high92.6Very high10 Ų1034.8 Ų34.810%0.10322%0.216CC..THydrogen-bonded Turntrans73.27.5173.400000116.2A690 C691G626-A690 WeakPolarHBondContact O-CA 3.42Å; G626-C691 PolarHBondContact O-N 3.33Å; G626-C691 VanDerWaalsContact O-N 3.15Å
627I92.9Very high92.7Very high6 Ų640.4 Ų40.43%0.03124%0.241CC..EExtended strand (participates in β ladder)trans-137.5138.2178.8-164.8-175.1000111.9L624 A625 W634 H679 L682 I683 I689 C691L624-I627 HydrophobicContact CB-CG2 4.2Å; L624-I627 HydrophobicContact CD2-CG2 3.88Å; L624-I627 HydrophobicContact CG-CG2 3.84Å; A625-I627 VanDerWaalsContact C-N 3.28Å; A625-I627 PolarHBondContact O-N 3.18Å; I627-W634 HydrophobicContact CB-CH2 4.44Å; I627-W634 HydrophobicContact CD1-CH2 3.88Å; I627-W634 HydrophobicContact CD1-CZ3 4.24Å; I627-W634 HydrophobicContact CG1-CH2 3.88Å; I627-W634 HydrophobicContact CG2-CH2 4.01Å; I627-W634 HydrophobicContact CG2-CZ2 4.45Å; I627-H679 HydrophobicContact CB-CB 4.24Å; I627-H679 HydrophobicContact CG2-CB 4.08Å; I627-L682 HydrophobicContact CD1-CB 3.57Å; I627-L682 HydrophobicContact CD1-CD1 4.25Å; I627-I683 HydrophobicContact CB-CD1 4.41Å; I627-I683 HydrophobicContact CD1-CD1 4.36Å; I627-I683 HydrophobicContact CD1-CG1 3.68Å; I627-I683 HydrophobicContact CG1-CD1 4.1Å; I627-I683 HydrophobicContact CG1-CG1 3.75Å; I627-I689 WeakPolarHBondContact CA-O 3.3Å; I627-C691 PolarHBondContact N-SG 3.33Å
628Q92.8Very high92.8Very high56 Ų5640.4 Ų40.426%0.26224%0.241SC..EExtended strand (participates in β ladder)trans-119.6158.3169.470.5-174.414.200109.6G688 I689 C691 L699Q628-G688 CarbonylContact O-C 3.49Å; Q628-G688 WeakPolarHBondContact O-CA 3.24Å; Q628-I689 HydrophobicContact CG-CB 4.29Å; Q628-I689 PolarHBondContact N-O 3.37Å; Q628-I689 PolarHBondContact O-N 2.83Å; Q628-C691 HydrophobicContact CB-CB 4.03Å; Q628-C691 HydrophobicContact CG-CB 3.91Å; Q628-L699 HydrophobicContact CB-CD1 3.81Å
629P93.2Very high92.8Very high18 Ų1840.6 Ų40.612%0.11724%0.243CC..EExtended strand (participates in β ladder)trans-60.1152.1176.124.7-33.1000111.8S631 T633 W634P629-S631 VanDerWaalsContact CB-O 3.26Å; P629-S631 WeakPolarHBondContact CB-O 3.38Å; P629-S631 VanDerWaalsContact CG-O 3.23Å; P629-S631 WeakPolarHBondContact CG-O 3.46Å; P629-S631 PolarHBondContact O-N 3.47Å; P629-T633 WeakPolarHBondContact CB-O 3.3Å; P629-W634 HydrophobicContact CB-CD2 3.7Å; P629-W634 HydrophobicContact CB-CE3 3.8Å; P629-W634 HydrophobicContact CB-CG 4.06Å; P629-W634 HydrophobicContact CB-CZ2 4.47Å; P629-W634 HydrophobicContact CB-CZ3 4.25Å; P629-W634 HydrophobicContact CG-CD2 4.26Å; P629-W634 HydrophobicContact CG-CG 4.46Å
630A89.6Confident92.9Very high57 Ų5743.1 Ų43.147%0.47126%0.263SS..SBendtrans-74.6-4.9177.700000113.8I689A630-I689 HydrophobicContact CB-CG1 4.33Å
631S85.4Confident93.1Very high63 Ų6343 Ų4344%0.44126%0.263SS..SBendtrans-140.2178.6177.145.30000108.7P629 T633P629-S631 VanDerWaalsContact CB-O 3.26Å; P629-S631 WeakPolarHBondContact CB-O 3.38Å; P629-S631 VanDerWaalsContact CG-O 3.23Å; P629-S631 WeakPolarHBondContact CG-O 3.46Å; P629-S631 PolarHBondContact O-N 3.47Å; S631-T633 PolarHBondContact O-N 2.86Å; S631-T633 PolarHBondContact OG-O 3.36Å
632D85.5Confident93.2Very high170 Ų17042.9 Ų42.991%0.90926%0.262SS*.SBendtrans-56.5-21.6-179-56.3-45.2000114.4
633T90.6Very high93.3Very high102 Ų10249 Ų4963%0.62629%0.285SS*.SBendtrans-136.6157.4177.958.50000112.1P629 S631P629-T633 WeakPolarHBondContact CB-O 3.3Å; S631-T633 PolarHBondContact O-N 2.86Å; S631-T633 PolarHBondContact OG-O 3.36Å
634W93.8Very high93.4Very high46 Ų4655.7 Ų55.717%0.17431%0.309CS..  trans-68.5130.5170.9-68.2109.3000111.1P515 I627 P629 A638 H687P515-W634 HydrophobicContact CB-CD2 4.15Å; P515-W634 HydrophobicContact CB-CE3 4.28Å; P515-W634 HydrophobicContact CB-CH2 3.88Å; P515-W634 HydrophobicContact CB-CZ2 3.74Å; P515-W634 HydrophobicContact CB-CZ3 4.15Å; P515-W634 HydrophobicContact CG-CD2 3.89Å; P515-W634 HydrophobicContact CG-CE3 3.76Å; P515-W634 HydrophobicContact CG-CH2 4.17Å; P515-W634 HydrophobicContact CG-CZ2 4.3Å; P515-W634 HydrophobicContact CG-CZ3 3.91Å; I627-W634 HydrophobicContact CB-CH2 4.44Å; I627-W634 HydrophobicContact CD1-CH2 3.88Å; I627-W634 HydrophobicContact CD1-CZ3 4.24Å; I627-W634 HydrophobicContact CG1-CH2 3.88Å; I627-W634 HydrophobicContact CG2-CH2 4.01Å; I627-W634 HydrophobicContact CG2-CZ2 4.45Å; P629-W634 HydrophobicContact CB-CD2 3.7Å; P629-W634 HydrophobicContact CB-CE3 3.8Å; P629-W634 HydrophobicContact CB-CG 4.06Å; P629-W634 HydrophobicContact CB-CZ2 4.47Å; P629-W634 HydrophobicContact CB-CZ3 4.25Å; P629-W634 HydrophobicContact CG-CD2 4.26Å; P629-W634 HydrophobicContact CG-CG 4.46Å; W634-A638 HydrophobicContact CE3-CB 3.96Å; W634-H687 WeakPolarHBondContact CZ3-O 3.45Å
635T95.5Very high93.3Very high59 Ų5957.5 Ų57.536%0.36232%0.318SS..  trans-76.8156.9177.568.90000111.6E637 A638 T639T635-E637 PolarHBondContact O-N 3.09Å; T635-A638 WeakPolarHBondContact O-CB 3.47Å; T635-A638 PolarHBondContact O-N 3.13Å; T635-A638 VanDerWaalsContact O-N 3.1Å; T635-A638 WeakPolarHBondContact OG1-CB 3.17Å; T635-A638 PolarHBondContact OG1-N 3.32Å; T635-A638 VanDerWaalsContact OG1-N 3.11Å; T635-T639 PolarHBondContact O-N 3.33Å
636A95.6Very high93.3Very high86 Ų8657.8 Ų57.871%0.71132%0.321SS*.Hα-helixtrans-58.9-31.8174.300000112.4A640A636-A640 VanDerWaalsContact O-CB 3.26Å; A636-A640 WeakPolarHBondContact O-CB 3.37Å; A636-A640 PolarHBondContact O-N 3.13Å
637E96.8Very high92.9Very high141 Ų14160.2 Ų60.266%0.65934%0.336SS*.Hα-helixtrans-67.7-43.8173.9-62.3-177.5165.900111.9T635 T639 A640 S641T635-E637 PolarHBondContact O-N 3.09Å; E637-T639 PolarHBondContact O-N 3.28Å; E637-A640 PolarHBondContact O-N 2.88Å; E637-S641 WeakPolarHBondContact O-CB 3.49Å; E637-S641 PolarHBondContact O-N 3.37Å
638A96.1Very high91.6Very high0 Ų068.2 Ų68.20%038%0.379CS..Hα-helixtrans-59.7-46.7174.700000111.6W634 T635 S641 F642 H687W634-A638 HydrophobicContact CE3-CB 3.96Å; T635-A638 WeakPolarHBondContact O-CB 3.47Å; T635-A638 PolarHBondContact O-N 3.13Å; T635-A638 VanDerWaalsContact O-N 3.1Å; T635-A638 WeakPolarHBondContact OG1-CB 3.17Å; T635-A638 PolarHBondContact OG1-N 3.32Å; T635-A638 VanDerWaalsContact OG1-N 3.11Å; A638-S641 PolarHBondContact O-N 2.87Å; A638-F642 WeakPolarHBondContact O-CB 3.37Å; A638-F642 PolarHBondContact O-N 2.92Å; A638-H687 HydrophobicContact CB-CB 3.69Å
639T96Very high90.9Very high15 Ų1569.7 Ų69.79%0.09239%0.386CS..Hα-helixtrans-61.4-44.8174.2-68.30000111.9V512 E513 S514 T635 E637 S641 F642 R643V512-T639 HydrophobicContact CG1-CG2 4.35Å; E513-T639 WeakPolarHBondContact O-CG2 3.23Å; E513-T639 PolarHBondContact O-OG1 3.04Å; S514-T639 WeakPolarHBondContact CA-OG1 3.25Å; T635-T639 PolarHBondContact O-N 3.33Å; E637-T639 PolarHBondContact O-N 3.28Å; T639-S641 VanDerWaalsContact C-N 3.33Å; T639-S641 PolarHBondContact O-N 3.13Å; T639-F642 PolarHBondContact O-N 3.34Å; T639-R643 WeakPolarHBondContact O-CB 3.44Å; T639-R643 WeakPolarHBondContact O-CG 3.44Å; T639-R643 PolarHBondContact O-N 3.4Å
640A96.2Very high90.8Very high53 Ų5370.9 Ų70.944%0.43839%0.392SS..Hα-helixtrans-64.6-37.117800000112.2A636 E637 R644A636-A640 VanDerWaalsContact O-CB 3.26Å; A636-A640 WeakPolarHBondContact O-CB 3.37Å; A636-A640 PolarHBondContact O-N 3.13Å; E637-A640 PolarHBondContact O-N 2.88Å; A640-R644 WeakPolarHBondContact O-CB 3.37Å; A640-R644 PolarHBondContact O-N 3.17Å; A640-R644 VanDerWaalsContact O-N 3.08Å
641S96.6Very high91.1Very high2 Ų268.2 Ų68.21%0.01437%0.37CS..Hα-helixtrans-70.5-42.6177.2-150.10000111.9E637 A638 T639 R644 L645 Q685 H687E637-S641 WeakPolarHBondContact O-CB 3.49Å; E637-S641 PolarHBondContact O-N 3.37Å; A638-S641 PolarHBondContact O-N 2.87Å; T639-S641 VanDerWaalsContact C-N 3.33Å; T639-S641 PolarHBondContact O-N 3.13Å; S641-R644 PolarHBondContact O-N 3.29Å; S641-R644 PolarHBondContact OG-NH1 3.13Å; S641-R644 PolarHBondContact OG-NH2 3.03Å; S641-R644 VanDerWaalsContact OG-NH2 3.16Å; S641-L645 WeakPolarHBondContact O-CB 3.22Å; S641-L645 VanDerWaalsContact O-CG 3.28Å; S641-L645 WeakPolarHBondContact O-CG 3.35Å; S641-L645 PolarHBondContact O-N 2.98Å; S641-Q685 PolarHBondContact OG-OE1 3.35Å; S641-H687 WeakPolarHBondContact CB-NE2 3.29Å
642F96.7Very high91.6Very high0 Ų067.2 Ų67.20%036%0.361CS..Hα-helixtrans-62-44.9174.6178.5-125.9000112.3V512 P515 F518 L624 A638 T639 R644 L645 C646 L667 I678 L682V512-F642 HydrophobicContact CG1-CD1 3.48Å; V512-F642 VanDerWaalsContact CG1-CD1 3.48Å; V512-F642 HydrophobicContact CG1-CE1 3.74Å; V512-F642 HydrophobicContact CG2-CE1 4.3Å; P515-F642 HydrophobicContact CB-CD1 4.12Å; P515-F642 HydrophobicContact CB-CE1 4.48Å; P515-F642 HydrophobicContact CB-CG 4.24Å; P515-F642 HydrophobicContact CG-CB 3.84Å; P515-F642 HydrophobicContact CG-CD1 3.92Å; P515-F642 HydrophobicContact CG-CG 3.88Å; F518-F642 HydrophobicContact CB-CE1 4.26Å; F518-F642 AromaticContact CD1-CE1 3.55Å; F518-F642 HydrophobicContact CD1-CE1 3.55Å; F518-F642 AromaticContact CD1-CZ 3.73Å; F518-F642 HydrophobicContact CD1-CZ 3.73Å; F518-F642 HydrophobicContact CD2-CE1 4.48Å; F518-F642 HydrophobicContact CD2-CZ 4.3Å; F518-F642 AromaticContact CE1-CE1 3.9Å; F518-F642 HydrophobicContact CE1-CE1 3.9Å; F518-F642 AromaticContact CE1-CZ 3.6Å; F518-F642 HydrophobicContact CE1-CZ 3.6Å; F518-F642 HydrophobicContact CE2-CZ 4.19Å; F518-F642 AromaticContact CG-CE1 3.88Å; F518-F642 HydrophobicContact CG-CE1 3.88Å; F518-F642 HydrophobicContact CG-CZ 4.09Å; F518-F642 AromaticContact CZ-CZ 3.85Å; F518-F642 HydrophobicContact CZ-CZ 3.85Å; L624-F642 HydrophobicContact CD2-CD2 4.16Å; L624-F642 HydrophobicContact CD2-CE2 3.9Å; A638-F642 WeakPolarHBondContact O-CB 3.37Å; A638-F642 PolarHBondContact O-N 2.92Å; T639-F642 PolarHBondContact O-N 3.34Å; F642-R644 PolarHBondContact O-N 2.89Å; F642-L645 PolarHBondContact O-N 3.45Å; F642-C646 WeakPolarHBondContact CE2-SG 3.46Å; F642-C646 PolarHBondContact O-N 2.96Å; F642-C646 PolarHBondContact O-SG 2.94Å; F642-L667 HydrophobicContact CE2-CD1 3.91Å; F642-L667 HydrophobicContact CZ-CD1 3.96Å; F642-I678 HydrophobicContact CD2-CG2 3.67Å; F642-I678 HydrophobicContact CE2-CG2 3.85Å; F642-L682 HydrophobicContact CB-CD1 4.07Å; F642-L682 HydrophobicContact CB-CD2 4.21Å; F642-L682 HydrophobicContact CD2-CD1 4.01Å; F642-L682 HydrophobicContact CG-CD1 4.31Å
643R95.4Very high92Very high131 Ų13159.1 Ų59.149%0.49432%0.318SS..Hα-helixtrans-55.2-50.5172.1-76177.8-176.5179.42.3111.6V512 T639 L645 C646 S647V512-R643 HydrophobicContact CB-CG 3.72Å; V512-R643 HydrophobicContact CG1-CG 3.7Å; V512-R643 HydrophobicContact CG2-CG 4.18Å; V512-R643 PolarHBondContact O-NE 2.56Å; V512-R643 VanDerWaalsContact O-NE 3.1Å; V512-R643 PolarHBondContact O-NH2 3.27Å; T639-R643 WeakPolarHBondContact O-CB 3.44Å; T639-R643 WeakPolarHBondContact O-CG 3.44Å; T639-R643 PolarHBondContact O-N 3.4Å; R643-L645 VanDerWaalsContact C-N 3.28Å; R643-L645 PolarHBondContact O-N 3.19Å; R643-C646 CarbonylContact O-C 3.58Å; R643-C646 PolarHBondContact O-N 2.72Å; R643-S647 PolarHBondContact O-N 2.79Å; R643-S647 VanDerWaalsContact O-N 3.1Å; R643-S647 PolarHBondContact O-OG 3.44Å
644R94.4Very high92.2Very high154 Ų15455.6 Ų55.658%0.58130%0.3SS*.Hα-helixtrans-59.1-38.8179.2-162.4-156.5-4299.80.1112.4A640 S641 F642 C646A640-R644 WeakPolarHBondContact O-CB 3.37Å; A640-R644 PolarHBondContact O-N 3.17Å; A640-R644 VanDerWaalsContact O-N 3.08Å; S641-R644 PolarHBondContact O-N 3.29Å; S641-R644 PolarHBondContact OG-NH1 3.13Å; S641-R644 PolarHBondContact OG-NH2 3.03Å; S641-R644 VanDerWaalsContact OG-NH2 3.16Å; F642-R644 PolarHBondContact O-N 2.89Å; R644-C646 PolarHBondContact O-N 3.46Å
645L93.5Very high92.2Very high38 Ų3853.6 Ų53.620%0.19929%0.292CS..Hα-helixtrans-73.2-10.4178.2-75169.4000114S641 F642 R643 I678 A681 L682S641-L645 WeakPolarHBondContact O-CB 3.22Å; S641-L645 VanDerWaalsContact O-CG 3.28Å; S641-L645 WeakPolarHBondContact O-CG 3.35Å; S641-L645 PolarHBondContact O-N 2.98Å; F642-L645 PolarHBondContact O-N 3.45Å; R643-L645 VanDerWaalsContact C-N 3.28Å; R643-L645 PolarHBondContact O-N 3.19Å; L645-I678 HydrophobicContact CB-CD1 4.25Å; L645-I678 HydrophobicContact CB-CG2 4.02Å; L645-I678 HydrophobicContact CD1-CG2 4.17Å; L645-A681 HydrophobicContact CD1-CB 3.93Å; L645-A681 HydrophobicContact CD2-CB 4.42Å; L645-L682 HydrophobicContact CD1-CD2 4.02Å; L645-L682 HydrophobicContact CD1-CG 4.25Å
646C91.8Very high91.9Very high7 Ų753 Ų535%0.04729%0.287CS..THydrogen-bonded Turntrans-123.411.7179.7-50.90000113.4V509 F642 R643 R644 L651V509-C646 HydrophobicContact CB-CB 3.88Å; V509-C646 HydrophobicContact CG1-CB 4.19Å; V509-C646 HydrophobicContact CG2-CB 3.87Å; F642-C646 WeakPolarHBondContact CE2-SG 3.46Å; F642-C646 PolarHBondContact O-N 2.96Å; F642-C646 PolarHBondContact O-SG 2.94Å; R643-C646 CarbonylContact O-C 3.58Å; R643-C646 PolarHBondContact O-N 2.72Å; R644-C646 PolarHBondContact O-N 3.46Å; C646-L651 HydrophobicContact CB-CD1 3.93Å
647S82.4Confident91.6Very high61 Ų6151 Ų5143%0.42727%0.267SS..SBendtrans-78.8135.2-172.2-650000112.5R643 Q649R643-S647 PolarHBondContact O-N 2.79Å; R643-S647 VanDerWaalsContact O-N 3.1Å; R643-S647 PolarHBondContact O-OG 3.44Å; S647-Q649 PolarHBondContact O-N 2.76Å
648D65.9Low91.2Very high174 Ų17446.8 Ų46.893%0.9325%0.245SC*.SBendtrans54.319168-57-28.7000117
649Q79.1Confident90.7Very high87 Ų8749 Ų4941%0.40726%0.259SS..SBendtrans-137.8143.1-176.6-66.8-175.54.700112.4S647 L651 H671S647-Q649 PolarHBondContact O-N 2.76Å; Q649-L651 PolarHBondContact O-N 2.99Å; Q649-H671 PolarHBondContact OE1-CD2 2.89Å
650T90.9Very high90.1Very high42 Ų4251.2 Ų51.226%0.25829%0.285SS..  trans-73.2121.8169.8-49.70000109.7E506 V507 H671E506-T650 HydrophobicContact CB-CG2 3.64Å; E506-T650 HydrophobicContact CG-CG2 4.12Å; V507-T650 WeakPolarHBondContact O-CA 3Å; T650-H671 PolarHBondContact O-NE2 2.83Å
651L94.9Very high89.6Confident2 Ų250 Ų501%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-97.9160.4177.2-58.2-178.4000110.9E506 V507 V509 C646 Q649 L667 D669 I678E506-L651 CarbonylContact C-O 3.53Å; E506-L651 WeakPolarHBondContact CA-O 3.26Å; V507-L651 HydrophobicContact CG2-CB 4.07Å; V507-L651 PolarHBondContact N-O 3.03Å; V507-L651 PolarHBondContact O-N 2.8Å; V509-L651 HydrophobicContact CG2-CD1 4.14Å; C646-L651 HydrophobicContact CB-CD1 3.93Å; Q649-L651 PolarHBondContact O-N 2.99Å; L651-L667 HydrophobicContact CB-CD2 4.44Å; L651-L667 HydrophobicContact CD1-CB 4.18Å; L651-L667 HydrophobicContact CD1-CD1 4.2Å; L651-L667 HydrophobicContact CD1-CD2 4.28Å; L651-L667 HydrophobicContact CD1-CG 4.46Å; L651-D669 HydrophobicContact CD2-CB 3.8Å; L651-I678 HydrophobicContact CD1-CG1 4.45Å
652V95.3Very high89.2Confident41 Ų4150.2 Ų50.225%0.24828%0.276CS..EExtended strand (participates in β ladder)trans-86115.9164.3-1800000108.4L504 C668 T670L504-V652 HydrophobicContact CD2-CG1 4.48Å; V652-C668 HydrophobicContact CB-CB 4.48Å; V652-C668 PolarHBondContact N-O 2.96Å; V652-C668 PolarHBondContact O-N 3.09Å; V652-T670 HydrophobicContact CB-CG2 4.33Å; V652-T670 HydrophobicContact CG2-CG2 3.75Å
653G95.3Very high89Confident0 Ų050.3 Ų50.30%028%0.277CS..EExtended strand (participates in β ladder)trans-91.4120.7170.100000110.7V505 F666V505-G653 PolarHBondContact N-O 3.37Å; V505-G653 PolarHBondContact O-N 2.91Å; G653-F666 WeakPolarHBondContact CA-O 3.34Å
654A94.3Very high88.8Confident29 Ų2944.2 Ų44.224%0.2425%0.254CS..EExtended strand (participates in β ladder)trans-101106.317000000109L504 L665 F666L504-A654 HydrophobicContact CD2-CB 3.46Å; L504-A654 VanDerWaalsContact CD2-CB 3.46Å; A654-L665 WeakPolarHBondContact O-CA 3.47Å; A654-L665 WeakPolarHBondContact O-CB 3.4Å; A654-F666 HydrophobicContact CB-CB 4.32Å; A654-F666 PolarHBondContact N-O 3.47Å; A654-F666 PolarHBondContact O-N 3Å
655L93.2Very high88.8Confident4 Ų436.9 Ų36.92%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-75.3129.2-170.6-81.953.2000110.6H499 R502 E503 V505 F522 L663 L665H499-L655 HydrophobicContact CB-CD2 3.38Å; R502-L655 WeakPolarHBondContact CA-O 3.38Å; R502-L655 PolarHBondContact N-O 2.87Å; E503-L655 HydrophobicContact CB-CD2 4.48Å; E503-L655 PolarHBondContact O-N 2.91Å; E503-L655 VanDerWaalsContact O-N 3.14Å; V505-L655 HydrophobicContact CG2-CD1 3.59Å; V505-L655 HydrophobicContact CG2-CD2 4.45Å; F522-L655 HydrophobicContact CE1-CD2 4.3Å; L655-L663 HydrophobicContact CB-CD1 4.31Å; L655-L663 HydrophobicContact CD1-CD2 4.45Å; L655-L663 HydrophobicContact CD2-CD1 4.33Å; L655-L663 HydrophobicContact CD2-CD2 4.42Å; L655-L663 HydrophobicContact CG-CD1 3.87Å; L655-L663 HydrophobicContact CG-CD2 4.04Å; L655-L665 HydrophobicContact CD1-CB 4.36Å; L655-L665 HydrophobicContact CD1-CD1 4.22Å
656D89.5Confident88.9Confident45 Ų4538 Ų3824%0.24123%0.23CC..EExtended strand (participates in β ladder)trans-96.3-69178175.342.7000110.4A501 Q664 F666A501-D656 VanDerWaalsContact CB-O 3.22Å; A501-D656 WeakPolarHBondContact CB-O 3.16Å; D656-Q664 HydrophobicContact CB-CB 4.47Å; D656-Q664 HydrophobicContact CB-CG 4.29Å; D656-Q664 WeakPolarHBondContact CB-O 3.3Å; D656-Q664 PolarHBondContact N-O 3.25Å; D656-Q664 PolarHBondContact OD2-NE2 2.94Å; D656-F666 HydrophobicContact CB-CE2 4.39Å
657C89.4Confident89.1Confident45 Ų4537.7 Ų37.730%0.30423%0.227SC..EExtended strand (participates in β ladder)trans-156.1170.9-178.664.50000112.9Q664C657-Q664 PolarHBondContact N-O 3.12Å; C657-Q664 PolarHBondContact O-N 2.96Å
658Y88.6Confident89.7Confident52 Ų5235.3 Ų35.320%0.20421%0.211CC..EExtended strand (participates in β ladder)trans-111116.4171.6-77-92.3000111R498 H499 V662 L663R498-Y658 WeakPolarHBondContact CA-OH 3.46Å; R498-Y658 HydrophobicContact CB-CE2 4.04Å; R498-Y658 HydrophobicContact CG-CD1 4.49Å; R498-Y658 HydrophobicContact CG-CE1 4.12Å; R498-Y658 HydrophobicContact CG-CE2 4.31Å; H499-Y658 PolarHBondContact N-OH 3.14Å; H499-Y658 WeakPolarHBondContact O-CE2 3.5Å; Y658-V662 CarbonylContact C-O 3.55Å; Y658-V662 VanDerWaalsContact CA-O 3.3Å; Y658-V662 WeakPolarHBondContact CA-O 3.49Å; Y658-L663 HydrophobicContact CD1-CB 4.05Å; Y658-L663 HydrophobicContact CD1-CD1 4.32Å; Y658-L663 HydrophobicContact CD2-CD1 4.14Å; Y658-L663 HydrophobicContact CE1-CB 3.74Å; Y658-L663 HydrophobicContact CE1-CD1 4.01Å; Y658-L663 HydrophobicContact CE1-CG 4.35Å; Y658-L663 HydrophobicContact CE2-CD1 3.8Å; Y658-L663 HydrophobicContact CG-CD1 4.39Å
659T85.4Confident91Very high46 Ų4627.9 Ų27.928%0.28217%0.171SC..EExtended strand (participates in β ladder)trans-92.5100.8172.1-64.70000108.8A661 V662 C700T659-A661 PolarHBondContact O-N 3.19Å; T659-V662 PolarHBondContact N-O 2.95Å; T659-V662 PolarHBondContact O-N 3.12Å; T659-C700 HydrophobicContact CG2-CB 3.97Å
660G83.7Confident91.6Very high62 Ų6225.7 Ų25.764%0.63916%0.164SC*.THydrogen-bonded Turntrans66-103-172.400000111.3R498R498-G660 VanDerWaalsContact CZ-O 3.29Å; R498-G660 PolarHBondContact NH1-O 2.9Å; R498-G660 PolarHBondContact NH2-O 3.22Å
661A84.6Confident91.4Very high27 Ų2728.8 Ų28.822%0.22318%0.175CC..THydrogen-bonded Turntrans-110-6.5173.800000113.8T659 V706T659-A661 PolarHBondContact O-N 3.19Å; A661-V706 HydrophobicContact CB-CG1 4.04Å
662V89Confident90.9Very high8 Ų831.4 Ų31.45%0.04819%0.191CC..EExtended strand (participates in β ladder)trans-91.1133.8-175.8-174.70000109.9P621 I623 Y658 T659 T704P621-V662 HydrophobicContact CB-CG2 4.48Å; P621-V662 WeakPolarHBondContact O-CA 3.36Å; I623-V662 HydrophobicContact CD1-CG1 3.82Å; I623-V662 HydrophobicContact CG1-CG1 3.78Å; Y658-V662 CarbonylContact C-O 3.55Å; Y658-V662 VanDerWaalsContact CA-O 3.3Å; Y658-V662 WeakPolarHBondContact CA-O 3.49Å; T659-V662 PolarHBondContact N-O 2.95Å; T659-V662 PolarHBondContact O-N 3.12Å; V662-T704 HydrophobicContact CG2-CG2 3.76Å
663L92.2Very high90.4Very high1 Ų137.7 Ų37.71%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-88.8124.9176.6174.564.2000111I520 F522 V620 P621 S622 I623 L655 Y658 L665I520-L663 HydrophobicContact CD1-CD2 3.75Å; F522-L663 HydrophobicContact CZ-CD2 4.37Å; V620-L663 HydrophobicContact CG1-CB 3.82Å; V620-L663 HydrophobicContact CG1-CD2 4.07Å; P621-L663 PolarHBondContact O-N 3.41Å; S622-L663 CarbonylContact C-O 3.45Å; S622-L663 WeakPolarHBondContact CA-O 3.48Å; I623-L663 PolarHBondContact N-O 3.4Å; L655-L663 HydrophobicContact CB-CD1 4.31Å; L655-L663 HydrophobicContact CD1-CD2 4.45Å; L655-L663 HydrophobicContact CD2-CD1 4.33Å; L655-L663 HydrophobicContact CD2-CD2 4.42Å; L655-L663 HydrophobicContact CG-CD1 3.87Å; L655-L663 HydrophobicContact CG-CD2 4.04Å; Y658-L663 HydrophobicContact CD1-CB 4.05Å; Y658-L663 HydrophobicContact CD1-CD1 4.32Å; Y658-L663 HydrophobicContact CD2-CD1 4.14Å; Y658-L663 HydrophobicContact CE1-CB 3.74Å; Y658-L663 HydrophobicContact CE1-CD1 4.01Å; Y658-L663 HydrophobicContact CE1-CG 4.35Å; Y658-L663 HydrophobicContact CE2-CD1 3.8Å; Y658-L663 HydrophobicContact CG-CD1 4.39Å; L663-L665 HydrophobicContact CD2-CB 4.39Å; L663-L665 HydrophobicContact CD2-CD1 4.16Å; L663-L665 HydrophobicContact CD2-CD2 4.25Å; L663-L665 HydrophobicContact CG-CB 4.26Å; L663-L665 HydrophobicContact CG-CD2 4.22Å
664Q91.9Very high90Very high3 Ų345.2 Ų45.21%0.01426%0.259CS..EExtended strand (participates in β ladder)trans-91.3123165.5-172.4160.2-65.500108.2A625 D656 C657 P693A625-Q664 HydrophobicContact CB-CG 3.72Å; D656-Q664 HydrophobicContact CB-CB 4.47Å; D656-Q664 HydrophobicContact CB-CG 4.29Å; D656-Q664 WeakPolarHBondContact CB-O 3.3Å; D656-Q664 PolarHBondContact N-O 3.25Å; D656-Q664 PolarHBondContact OD2-NE2 2.94Å; C657-Q664 PolarHBondContact N-O 3.12Å; C657-Q664 PolarHBondContact O-N 2.96Å; Q664-P693 PolarHBondContact NE2-O 2.66Å
665L94.9Very high89.9Confident0 Ų047.4 Ų47.40%027%0.266CS..EExtended strand (participates in β ladder)trans-146.6151.1179.178.3168.5000112.4F518 I520 I623 L624 A625 A654 L655 L663 L667F518-L665 HydrophobicContact CE2-CD2 4.24Å; F518-L665 HydrophobicContact CZ-CD2 3.99Å; I520-L665 HydrophobicContact CD1-CD1 3.73Å; I623-L665 PolarHBondContact O-N 2.94Å; I623-L665 VanDerWaalsContact O-N 3.11Å; L624-L665 WeakPolarHBondContact CA-O 3.46Å; A625-L665 PolarHBondContact N-O 3.04Å; A654-L665 WeakPolarHBondContact O-CA 3.47Å; A654-L665 WeakPolarHBondContact O-CB 3.4Å; L655-L665 HydrophobicContact CD1-CB 4.36Å; L655-L665 HydrophobicContact CD1-CD1 4.22Å; L663-L665 HydrophobicContact CD2-CB 4.39Å; L663-L665 HydrophobicContact CD2-CD1 4.16Å; L663-L665 HydrophobicContact CD2-CD2 4.25Å; L663-L665 HydrophobicContact CG-CB 4.26Å; L663-L665 HydrophobicContact CG-CD2 4.22Å; L665-L667 HydrophobicContact CD1-CD2 3.85Å; L665-L667 HydrophobicContact CG-CD2 4.24Å; L665-L667 HydrophobicContact CG-CG 4.47Å
666F95.3Very high89.9Confident62 Ų6250.1 Ų50.127%0.27228%0.28SS..EExtended strand (participates in β ladder)trans-85.2143163.7-58.7-89.9000109.2A625 G653 A654 D656 H679A625-F666 HydrophobicContact CB-CD1 3.81Å; A625-F666 HydrophobicContact CB-CD2 3.77Å; A625-F666 HydrophobicContact CB-CE1 3.69Å; A625-F666 HydrophobicContact CB-CE2 3.62Å; A625-F666 HydrophobicContact CB-CG 3.86Å; A625-F666 HydrophobicContact CB-CZ 3.59Å; A625-F666 WeakPolarHBondContact O-CD1 3.43Å; A625-F666 WeakPolarHBondContact O-CE1 3.49Å; G653-F666 WeakPolarHBondContact CA-O 3.34Å; A654-F666 HydrophobicContact CB-CB 4.32Å; A654-F666 PolarHBondContact N-O 3.47Å; A654-F666 PolarHBondContact O-N 3Å; D656-F666 HydrophobicContact CB-CE2 4.39Å; F666-H679 AromaticContact CD1-CE1 3.74Å; F666-H679 AromaticContact CD1-ND1 3.74Å
667L96.3Very high90.2Very high0 Ų053.8 Ų53.80%029%0.291CS..EExtended strand (participates in β ladder)trans-110.1141.1172-67.4174.1000110V507 V509 F518 L624 F642 L651 L665 I678V507-L667 HydrophobicContact CG2-CD2 3.54Å; V509-L667 HydrophobicContact CG2-CD1 3.91Å; F518-L667 HydrophobicContact CE2-CD1 3.99Å; F518-L667 HydrophobicContact CZ-CD1 3.96Å; L624-L667 HydrophobicContact CD1-CB 4.07Å; L624-L667 HydrophobicContact CD1-CD1 4.31Å; L624-L667 HydrophobicContact CD1-CG 4.15Å; F642-L667 HydrophobicContact CE2-CD1 3.91Å; F642-L667 HydrophobicContact CZ-CD1 3.96Å; L651-L667 HydrophobicContact CB-CD2 4.44Å; L651-L667 HydrophobicContact CD1-CB 4.18Å; L651-L667 HydrophobicContact CD1-CD1 4.2Å; L651-L667 HydrophobicContact CD1-CD2 4.28Å; L651-L667 HydrophobicContact CD1-CG 4.46Å; L665-L667 HydrophobicContact CD1-CD2 3.85Å; L665-L667 HydrophobicContact CG-CD2 4.24Å; L665-L667 HydrophobicContact CG-CG 4.47Å; L667-I678 HydrophobicContact CB-CB 4.08Å; L667-I678 HydrophobicContact CB-CG1 3.72Å; L667-I678 WeakPolarHBondContact O-CG1 3.48Å; L667-I678 PolarHBondContact O-N 3.4Å
668C94.8Very high90.5Very high12 Ų1251.7 Ų51.78%0.08128%0.277CS..EExtended strand (participates in β ladder)trans-136.3126.5175.8-167.70000110.4V652 I676 Y677V652-C668 HydrophobicContact CB-CB 4.48Å; V652-C668 PolarHBondContact N-O 2.96Å; V652-C668 PolarHBondContact O-N 3.09Å; C668-I676 WeakPolarHBondContact CA-O 3.44Å; C668-Y677 HydrophobicContact CB-CD1 4.27Å; C668-Y677 HydrophobicContact CB-CE1 4.37Å
669D93Very high90.8Very high17 Ų1750.7 Ų50.79%0.09127%0.274CS..EExtended strand (participates in β ladder)trans-82.4121.1165.7162.126.4000108.8L651 H671 D675 I676 I678L651-D669 HydrophobicContact CD2-CB 3.8Å; D669-H671 WeakPolarHBondContact OD1-CB 3.17Å; D669-H671 IonicContact OD1-CD2 2.71Å; D669-H671 PolarHBondContact OD1-CD2 3.07Å; D669-H671 VanDerWaalsContact OD1-CD2 3.31Å; D669-H671 IonicContact OD1-CG 2.78Å; D669-H671 PolarHBondContact OD1-N 2.93Å; D669-D675 CarbonylContact O-C 3.58Å; D669-D675 WeakPolarHBondContact O-CA 3.45Å; D669-I676 HydrophobicContact CB-CB 4.2Å; D669-I676 PolarHBondContact N-O 3.47Å; D669-I676 PolarHBondContact O-N 2.9Å; D669-I678 HydrophobicContact CB-CD1 4.03Å
670T91Very high91.3Very high42 Ų4251.1 Ų51.126%0.25828%0.277SS..  trans-113.319.8179620000112.3V652 D675 K866V652-T670 HydrophobicContact CB-CG2 4.33Å; V652-T670 HydrophobicContact CG2-CG2 3.75Å; T670-D675 HydrophobicContact CG2-CB 4.38Å; T670-K866 WeakPolarHBondContact O-CE 3.39Å; T670-K866 PolarHBondContact O-NZ 3.48Å
671H86.6Confident91.9Very high107 Ų10748.9 Ų48.950%0.49525%0.252SS..SBendtrans-86.4-19.5178.7-64.6-71.3000113.6Q649 T650 D669Q649-H671 PolarHBondContact OE1-CD2 2.89Å; T650-H671 PolarHBondContact O-NE2 2.83Å; D669-H671 WeakPolarHBondContact OD1-CB 3.17Å; D669-H671 IonicContact OD1-CD2 2.71Å; D669-H671 PolarHBondContact OD1-CD2 3.07Å; D669-H671 VanDerWaalsContact OD1-CD2 3.31Å; D669-H671 IonicContact OD1-CG 2.78Å; D669-H671 PolarHBondContact OD1-N 2.93Å
672T84.3Confident92.4Very high57 Ų5747.6 Ų47.635%0.3524%0.242SC..SBendtrans-90.5170.1176.6108.20000112.7Q674 I676 K866T672-Q674 PolarHBondContact O-N 3.06Å; T672-Q674 PolarHBondContact OG1-N 2.86Å; T672-Q674 PolarHBondContact OG1-O 2.82Å; T672-I676 HydrophobicContact CG2-CD1 3.67Å; T672-I676 HydrophobicContact CG2-CG1 4.37Å; T672-K866 PolarHBondContact O-NZ 2.75Å
673D85.1Confident92.8Very high173 Ų17349.5 Ų49.593%0.92525%0.251SS*.SBendtrans-64.5-18.2176.7-66.6-44.3000113.4
674Q88Confident93Very high158 Ų15855.8 Ų55.874%0.73829%0.285SS*.SBendtrans-121.2141.3169.2-64.1-176.4-100109.5T672 I676T672-Q674 PolarHBondContact O-N 3.06Å; T672-Q674 PolarHBondContact OG1-N 2.86Å; T672-Q674 PolarHBondContact OG1-O 2.82Å; Q674-I676 PolarHBondContact O-N 2.66Å
675D91.9Very high93.2Very high75 Ų7559.5 Ų59.540%0.40130%0.302SS..  trans-79.4118.4-178.4-58.4-33.7000109.8D669 T670 Y677 K866D669-D675 CarbonylContact O-C 3.58Å; D669-D675 WeakPolarHBondContact O-CA 3.45Å; T670-D675 HydrophobicContact CG2-CB 4.38Å; D675-Y677 HydrophobicContact CB-CE2 4.34Å; D675-Y677 WeakPolarHBondContact O-CD2 3.35Å; D675-K866 IonicContact OD1-NZ 3.62Å; D675-K866 PolarHBondContact OD1-NZ 3.38Å
676I92.8Very high93.2Very high60 Ų6062 Ų6231%0.30833%0.329SS..EExtended strand (participates in β ladder)trans-95.2104-171.9-58.5178.7000109.4C668 D669 T672 Q674 I678 A681C668-I676 WeakPolarHBondContact CA-O 3.44Å; D669-I676 HydrophobicContact CB-CB 4.2Å; D669-I676 PolarHBondContact N-O 3.47Å; D669-I676 PolarHBondContact O-N 2.9Å; T672-I676 HydrophobicContact CG2-CD1 3.67Å; T672-I676 HydrophobicContact CG2-CG1 4.37Å; Q674-I676 PolarHBondContact O-N 2.66Å; I676-I678 HydrophobicContact CG2-CD1 4.41Å; I676-I678 WeakPolarHBondContact O-CD1 3.43Å; I676-I678 PolarHBondContact O-N 3.05Å; I676-A681 HydrophobicContact CG2-CB 4.2Å
677Y95.2Very high93.2Very high123 Ų12360.6 Ų60.648%0.48232%0.323SS..EExtended strand (participates in β ladder)trans-74.1112.9174.1-65.2-91.2000110.3C668 D675 H679 T680 A681C668-Y677 HydrophobicContact CB-CD1 4.27Å; C668-Y677 HydrophobicContact CB-CE1 4.37Å; D675-Y677 HydrophobicContact CB-CE2 4.34Å; D675-Y677 WeakPolarHBondContact O-CD2 3.35Å; Y677-H679 VanDerWaalsContact C-N 3.33Å; Y677-H679 PolarHBondContact O-N 2.99Å; Y677-T680 WeakPolarHBondContact CB-OG1 3.16Å; Y677-T680 WeakPolarHBondContact O-CB 3.29Å; Y677-T680 PolarHBondContact O-N 2.98Å; Y677-T680 VanDerWaalsContact O-N 3.09Å; Y677-A681 PolarHBondContact O-N 3.19Å
678I95.9Very high93.1Very high0 Ų060.9 Ų60.90%033%0.325CS..Hα-helixtrans-64.4-37.4-166.8-52.3-51.1000112L624 F642 L645 L651 L667 D669 I676 A681 L682L624-I678 HydrophobicContact CD2-CG2 4.36Å; F642-I678 HydrophobicContact CD2-CG2 3.67Å; F642-I678 HydrophobicContact CE2-CG2 3.85Å; L645-I678 HydrophobicContact CB-CD1 4.25Å; L645-I678 HydrophobicContact CB-CG2 4.02Å; L645-I678 HydrophobicContact CD1-CG2 4.17Å; L651-I678 HydrophobicContact CD1-CG1 4.45Å; L667-I678 HydrophobicContact CB-CB 4.08Å; L667-I678 HydrophobicContact CB-CG1 3.72Å; L667-I678 WeakPolarHBondContact O-CG1 3.48Å; L667-I678 PolarHBondContact O-N 3.4Å; D669-I678 HydrophobicContact CB-CD1 4.03Å; I676-I678 HydrophobicContact CG2-CD1 4.41Å; I676-I678 WeakPolarHBondContact O-CD1 3.43Å; I676-I678 PolarHBondContact O-N 3.05Å; I678-A681 PolarHBondContact O-N 3.15Å; I678-L682 WeakPolarHBondContact O-CG 3.47Å; I678-L682 PolarHBondContact O-N 3.11Å
679H95Very high93.1Very high31 Ų3164.6 Ų64.614%0.14434%0.343CS..Hα-helixtrans-62.6-44.6174.872.3-76.5000111.8L624 I627 F666 Y677 A681 L682 I683L624-H679 HydrophobicContact CD1-CB 4.28Å; L624-H679 HydrophobicContact CD2-CB 4.1Å; L624-H679 HydrophobicContact CG-CB 4.06Å; I627-H679 HydrophobicContact CB-CB 4.24Å; I627-H679 HydrophobicContact CG2-CB 4.08Å; F666-H679 AromaticContact CD1-CE1 3.74Å; F666-H679 AromaticContact CD1-ND1 3.74Å; Y677-H679 VanDerWaalsContact C-N 3.33Å; Y677-H679 PolarHBondContact O-N 2.99Å; H679-A681 PolarHBondContact O-N 2.95Å; H679-L682 PolarHBondContact O-N 3.04Å; H679-I683 WeakPolarHBondContact O-CG1 3.47Å; H679-I683 PolarHBondContact O-N 2.76Å
680T95.5Very high93Very high55 Ų5567.1 Ų67.134%0.33737%0.366SS..Hα-helixtrans-63.8-39.8175.8-39.50000111.6Y677 L682 I683 N684Y677-T680 WeakPolarHBondContact CB-OG1 3.16Å; Y677-T680 WeakPolarHBondContact O-CB 3.29Å; Y677-T680 PolarHBondContact O-N 2.98Å; Y677-T680 VanDerWaalsContact O-N 3.09Å; T680-L682 PolarHBondContact O-N 3.09Å; T680-I683 PolarHBondContact O-N 3.13Å; T680-N684 WeakPolarHBondContact O-CB 3.42Å; T680-N684 PolarHBondContact O-N 2.86Å; T680-N684 PolarHBondContact O-ND2 3.34Å
681A95.8Very high92.9Very high15 Ų1566.1 Ų66.112%0.12436%0.361CS..Hα-helixtrans-61.8-42.2176.400000112.2L645 I676 Y677 I678 H679 Q685L645-A681 HydrophobicContact CD1-CB 3.93Å; L645-A681 HydrophobicContact CD2-CB 4.42Å; I676-A681 HydrophobicContact CG2-CB 4.2Å; Y677-A681 PolarHBondContact O-N 3.19Å; I678-A681 PolarHBondContact O-N 3.15Å; H679-A681 PolarHBondContact O-N 2.95Å; A681-Q685 WeakPolarHBondContact O-CG 3.46Å; A681-Q685 PolarHBondContact O-N 2.87Å; A681-Q685 VanDerWaalsContact O-N 3.15Å; A681-Q685 PolarHBondContact O-NE2 2.84Å
682L96.6Very high92.5Very high0 Ų065.2 Ų65.20%036%0.36CS..Hα-helixtrans-67.6-39.1175.4-68.6173.9000112.7P515 L624 I627 F642 L645 I678 H679 T680 Q685 G686 H687P515-L682 HydrophobicContact CB-CD1 4.26Å; P515-L682 HydrophobicContact CG-CD1 4.02Å; L624-L682 HydrophobicContact CD2-CD1 3.75Å; I627-L682 HydrophobicContact CD1-CB 3.57Å; I627-L682 HydrophobicContact CD1-CD1 4.25Å; F642-L682 HydrophobicContact CB-CD1 4.07Å; F642-L682 HydrophobicContact CB-CD2 4.21Å; F642-L682 HydrophobicContact CD2-CD1 4.01Å; F642-L682 HydrophobicContact CG-CD1 4.31Å; L645-L682 HydrophobicContact CD1-CD2 4.02Å; L645-L682 HydrophobicContact CD1-CG 4.25Å; I678-L682 WeakPolarHBondContact O-CG 3.47Å; I678-L682 PolarHBondContact O-N 3.11Å; H679-L682 PolarHBondContact O-N 3.04Å; T680-L682 PolarHBondContact O-N 3.09Å; L682-Q685 PolarHBondContact O-N 2.98Å; L682-G686 PolarHBondContact O-N 3.19Å; L682-H687 HydrophobicContact CB-CB 4.35Å; L682-H687 HydrophobicContact CD2-CB 4.33Å; L682-H687 WeakPolarHBondContact O-CB 3.45Å; L682-H687 PolarHBondContact O-N 3.17Å
683I96.3Very high91.8Very high49 Ų4965.5 Ų65.525%0.25136%0.363SS..Hα-helixtrans-62.7-46.6174.8-67.8161.7000110.4I627 H679 T680 Q685 G686 A690I627-I683 HydrophobicContact CB-CD1 4.41Å; I627-I683 HydrophobicContact CD1-CD1 4.36Å; I627-I683 HydrophobicContact CD1-CG1 3.68Å; I627-I683 HydrophobicContact CG1-CD1 4.1Å; I627-I683 HydrophobicContact CG1-CG1 3.75Å; H679-I683 WeakPolarHBondContact O-CG1 3.47Å; H679-I683 PolarHBondContact O-N 2.76Å; T680-I683 PolarHBondContact O-N 3.13Å; I683-Q685 PolarHBondContact O-N 3.29Å; I683-G686 PolarHBondContact O-N 2.84Å; I683-A690 HydrophobicContact CD1-CB 4.03Å
684N96.1Very high91Very high132 Ų13260.7 Ų60.771%0.70635%0.347SS*.Hα-helixtrans-64.9-20.7178.1-69.7-12.2000113.3T680 G686T680-N684 WeakPolarHBondContact O-CB 3.42Å; T680-N684 PolarHBondContact O-N 2.86Å; T680-N684 PolarHBondContact O-ND2 3.34Å; N684-G686 VanDerWaalsContact C-N 3.35Å
685Q96.4Very high90.1Very high81 Ų8155.8 Ų55.838%0.37933%0.328SS..THydrogen-bonded Turntrans-87.8-0.9173-69.5160.417.100113S641 A681 L682 I683 H687S641-Q685 PolarHBondContact OG-OE1 3.35Å; A681-Q685 WeakPolarHBondContact O-CG 3.46Å; A681-Q685 PolarHBondContact O-N 2.87Å; A681-Q685 VanDerWaalsContact O-N 3.15Å; A681-Q685 PolarHBondContact O-NE2 2.84Å; L682-Q685 PolarHBondContact O-N 2.98Å; I683-Q685 PolarHBondContact O-N 3.29Å; Q685-H687 PolarHBondContact O-N 2.99Å; Q685-H687 PolarHBondContact OE1-CD2 3.48Å; Q685-H687 VanDerWaalsContact OE1-CD2 3.28Å
686G95.6Very high88.8Confident54 Ų5452.3 Ų52.356%0.55731%0.31SS*.THydrogen-bonded Turntrans73.411.6-176.500000114.5L682 I683 N684L682-G686 PolarHBondContact O-N 3.19Å; I683-G686 PolarHBondContact O-N 2.84Å; N684-G686 VanDerWaalsContact C-N 3.35Å
687H95.6Very high87.5Confident32 Ų3250.7 Ų50.715%0.14831%0.306CS..SBendtrans-80.5-17.6-177.5-68.1-30.2000113.8W634 A638 S641 L682 Q685W634-H687 WeakPolarHBondContact CZ3-O 3.45Å; A638-H687 HydrophobicContact CB-CB 3.69Å; S641-H687 WeakPolarHBondContact CB-NE2 3.29Å; L682-H687 HydrophobicContact CB-CB 4.35Å; L682-H687 HydrophobicContact CD2-CB 4.33Å; L682-H687 WeakPolarHBondContact O-CB 3.45Å; L682-H687 PolarHBondContact O-N 3.17Å; Q685-H687 PolarHBondContact O-N 2.99Å; Q685-H687 PolarHBondContact OE1-CD2 3.48Å; Q685-H687 VanDerWaalsContact OE1-CD2 3.28Å
688G93.9Very high86.1Confident5 Ų548.9 Ų48.95%0.05232%0.316CS..EExtended strand (participates in β ladder)trans-159.7171.4178.900000112.7Q628Q628-G688 CarbonylContact O-C 3.49Å; Q628-G688 WeakPolarHBondContact O-CA 3.24Å
689I93.8Very high84.6Confident90 Ų9053.8 Ų53.846%0.46234%0.342SS..EExtended strand (participates in β ladder)trans-117.2144.3180-58169.7000107.8I627 Q628 A630 C691I627-I689 WeakPolarHBondContact CA-O 3.3Å; Q628-I689 HydrophobicContact CG-CB 4.29Å; Q628-I689 PolarHBondContact N-O 3.37Å; Q628-I689 PolarHBondContact O-N 2.83Å; A630-I689 HydrophobicContact CB-CG1 4.33Å; I689-C691 PolarHBondContact O-N 2.79Å
690A92.6Very high83.1Confident70 Ų7053.2 Ų53.258%0.57934%0.341SS*.EExtended strand (participates in β ladder)trans-61.5131.8172.900000110.8G626 I683G626-A690 WeakPolarHBondContact O-CA 3.42Å; I683-A690 HydrophobicContact CD1-CB 4.03Å
691C87.2Confident81.3Confident22 Ų2253.3 Ų53.315%0.14934%0.343CS..  trans-130.5161.2177.368.50000111.3G626 I627 Q628 I689 T695G626-C691 PolarHBondContact O-N 3.33Å; G626-C691 VanDerWaalsContact O-N 3.15Å; I627-C691 PolarHBondContact N-SG 3.33Å; Q628-C691 HydrophobicContact CB-CB 4.03Å; Q628-C691 HydrophobicContact CG-CB 3.91Å; I689-C691 PolarHBondContact O-N 2.79Å; C691-T695 HydrophobicContact CB-CG2 4.38Å
692D79.9Confident79.3Confident87 Ų8762.7 Ų62.747%0.46538%0.38SS..  trans-76.8157.5172.869.947.5000111.9A694 T695 A696D692-A694 PolarHBondContact O-N 2.91Å; D692-A694 VanDerWaalsContact O-N 3.16Å; D692-A694 WeakPolarHBondContact OD1-CB 3.46Å; D692-A694 PolarHBondContact OD1-N 2.77Å; D692-A694 VanDerWaalsContact OD1-N 3.08Å; D692-T695 VanDerWaalsContact CG-OG1 3.3Å; D692-T695 PolarHBondContact O-N 3.2Å; D692-T695 WeakPolarHBondContact OD1-CB 3.41Å; D692-T695 PolarHBondContact OD1-N 3.11Å; D692-T695 PolarHBondContact OD1-OG1 3.05Å; D692-T695 PolarHBondContact OD2-OG1 2.57Å; D692-A696 PolarHBondContact O-N 3.47Å; D692-A696 VanDerWaalsContact O-N 3.1Å
693P67.9Low77.3Confident63 Ų6367.2 Ų67.241%0.40941%0.408SS..Hα-helixtrans-60.5-24.4-178-27.336.6000114.9Q664 A697Q664-P693 PolarHBondContact NE2-O 2.66Å; P693-A697 WeakPolarHBondContact O-CB 3.46Å; P693-A697 PolarHBondContact O-N 2.75Å; P693-A697 VanDerWaalsContact O-N 3.15Å
694A68.1Low75.6Confident73 Ų7365.6 Ų65.660%0.60340%0.4SS*.Hα-helixtrans-79.3-35.3179.800000111.7D692 A697 A698D692-A694 PolarHBondContact O-N 2.91Å; D692-A694 VanDerWaalsContact O-N 3.16Å; D692-A694 WeakPolarHBondContact OD1-CB 3.46Å; D692-A694 PolarHBondContact OD1-N 2.77Å; D692-A694 VanDerWaalsContact OD1-N 3.08Å; A694-A697 PolarHBondContact O-N 2.92Å; A694-A698 WeakPolarHBondContact O-CB 3.32Å; A694-A698 PolarHBondContact O-N 3.07Å
695T70.1Confident73.9Confident54 Ų5460.3 Ų60.333%0.33137%0.373SS..Hα-helixtrans-68.8-42.5174.1-56.10000110.6C691 D692 A697 A698 L699C691-T695 HydrophobicContact CB-CG2 4.38Å; D692-T695 VanDerWaalsContact CG-OG1 3.3Å; D692-T695 PolarHBondContact O-N 3.2Å; D692-T695 WeakPolarHBondContact OD1-CB 3.41Å; D692-T695 PolarHBondContact OD1-N 3.11Å; D692-T695 PolarHBondContact OD1-OG1 3.05Å; D692-T695 PolarHBondContact OD2-OG1 2.57Å; T695-A697 PolarHBondContact O-N 3.45Å; T695-A698 PolarHBondContact O-N 3.39Å; T695-L699 WeakPolarHBondContact O-CG 3.47Å; T695-L699 PolarHBondContact O-N 3.29Å
696A64.8Low72.3Confident3 Ų356.8 Ų56.83%0.02536%0.357CS..Hα-helixtrans-57.6-45.9170.500000112D692 A698 L699D692-A696 PolarHBondContact O-N 3.47Å; D692-A696 VanDerWaalsContact O-N 3.1Å; A696-A698 VanDerWaalsContact C-N 3.31Å; A696-A698 PolarHBondContact O-N 2.85Å; A696-L699 PolarHBondContact O-N 3.16Å
697A64.5Low70.8Confident26 Ų2657.4 Ų57.422%0.21535%0.353CS..Hα-helixtrans-64.9-30.7176.600000113.4P693 A694 T695 L699 C700P693-A697 WeakPolarHBondContact O-CB 3.46Å; P693-A697 PolarHBondContact O-N 2.75Å; P693-A697 VanDerWaalsContact O-N 3.15Å; A694-A697 PolarHBondContact O-N 2.92Å; T695-A697 PolarHBondContact O-N 3.45Å; A697-L699 VanDerWaalsContact C-N 3.33Å; A697-C700 WeakPolarHBondContact O-CB 3.38Å; A697-C700 PolarHBondContact O-N 2.99Å
698A66.5Low69.4Low85 Ų8559.4 Ų59.470%0.70236%0.364SS*.Hα-helixtrans-71.4-25.7175.500000113.4A694 T695 A696 C700A694-A698 WeakPolarHBondContact O-CB 3.32Å; A694-A698 PolarHBondContact O-N 3.07Å; T695-A698 PolarHBondContact O-N 3.39Å; A696-A698 VanDerWaalsContact C-N 3.31Å; A696-A698 PolarHBondContact O-N 2.85Å; A698-C700 VanDerWaalsContact C-N 3.29Å
699L65.4Low68.2Low103 Ų10359.5 Ų59.554%0.53936%0.363SS..THydrogen-bonded Turntrans-80.8-6.2173.3-65.8170.7000113.3Q628 T695 A696 A697Q628-L699 HydrophobicContact CB-CD1 3.81Å; T695-L699 WeakPolarHBondContact O-CG 3.47Å; T695-L699 PolarHBondContact O-N 3.29Å; A696-L699 PolarHBondContact O-N 3.16Å; A697-L699 VanDerWaalsContact C-N 3.33Å
700C62.7Low67.4Low18 Ų1855.6 Ų55.612%0.12234%0.343CS..SBendtrans-60.8123.4-178.1-175.80000111.7I623 T659 A697 A698 K702I623-C700 HydrophobicContact CD1-CB 3.76Å; T659-C700 HydrophobicContact CG2-CB 3.97Å; A697-C700 WeakPolarHBondContact O-CB 3.38Å; A697-C700 PolarHBondContact O-N 2.99Å; A698-C700 VanDerWaalsContact C-N 3.29Å; C700-K702 PolarHBondContact O-N 2.84Å
701P58.2Low66.2Low58 Ų5853.2 Ų53.238%0.37733%0.325SS..  trans-63.7132.7-179.924.9-32.8000111.1V703P701-V703 PolarHBondContact O-N 2.99Å; P701-V703 VanDerWaalsContact O-N 3.14Å
702K54.2Low64.8Low211 Ų21161.1 Ų61.192%0.91736%0.36SS*.SBendtrans-72-7.6-167.2-68.8-178.1178.7175.20115.6C700C700-K702 PolarHBondContact O-N 2.84Å
703V53.4Low63.9Low96 Ų9659.7 Ų59.758%0.58237%0.366SS*.  trans-138.1122.9179.2-1800000108.1P701 L708P701-V703 PolarHBondContact O-N 2.99Å; P701-V703 VanDerWaalsContact O-N 3.14Å; V703-L708 HydrophobicContact CG1-CD1 3.97Å; V703-L708 HydrophobicContact CG1-CD2 4.17Å; V703-L708 HydrophobicContact CG1-CG 4.08Å
704T61.4Low63.8Low15 Ų1562.3 Ų62.39%0.09237%0.374CS..  trans-120.9150.8164.551.10000109.4P621 V662 V706 S707P621-T704 HydrophobicContact CB-CG2 4.29Å; V662-T704 HydrophobicContact CG2-CG2 3.76Å; T704-V706 PolarHBondContact O-N 2.7Å; T704-S707 PolarHBondContact O-N 3.24Å; T704-S707 PolarHBondContact O-OG 2.85Å
705P59.1Low63.7Low21 Ų2159.9 Ų59.914%0.13635%0.351CS..Hα-helixtrans-50.5-33.5178.9-30.636.3000114.3Y519 F590 S707 L708 Y709Y519-P705 WeakPolarHBondContact OH-CD 3.36Å; F590-P705 HydrophobicContact CD1-CB 3.98Å; F590-P705 HydrophobicContact CD2-CB 4.06Å; F590-P705 HydrophobicContact CD2-CG 4.24Å; F590-P705 HydrophobicContact CE1-CB 3.93Å; F590-P705 HydrophobicContact CE2-CB 3.99Å; F590-P705 HydrophobicContact CE2-CG 4.12Å; F590-P705 HydrophobicContact CG-CB 4.05Å; F590-P705 HydrophobicContact CZ-CB 3.94Å; F590-P705 HydrophobicContact CZ-CG 4.46Å; P705-S707 PolarHBondContact O-N 2.8Å; P705-L708 PolarHBondContact O-N 3.1Å; P705-Y709 HydrophobicContact CB-CD2 4.02Å; P705-Y709 HydrophobicContact CB-CE2 4.02Å; P705-Y709 WeakPolarHBondContact O-CD2 3.09Å; P705-Y709 PolarHBondContact O-N 3.01Å
706V63Low63.4Low6 Ų666.6 Ų66.64%0.03638%0.379CS..Hα-helixtrans-56-44.6176.31720000112.4P621 A661 T704 L708 M710P621-V706 HydrophobicContact CG-CB 4.24Å; P621-V706 HydrophobicContact CG-CG2 3.81Å; A661-V706 HydrophobicContact CB-CG1 4.04Å; T704-V706 PolarHBondContact O-N 2.7Å; V706-L708 VanDerWaalsContact C-N 3.32Å; V706-L708 PolarHBondContact O-N 3.42Å; V706-M710 HydrophobicContact CB-SD 4.1Å; V706-M710 HydrophobicContact CG1-CB 4.47Å; V706-M710 HydrophobicContact CG1-SD 3.79Å; V706-M710 HydrophobicContact CG2-CE 4.03Å; V706-M710 HydrophobicContact CG2-SD 3.88Å; V706-M710 VanDerWaalsContact O-CB 3.29Å; V706-M710 WeakPolarHBondContact O-CB 3.38Å; V706-M710 PolarHBondContact O-N 2.87Å
707S64.4Low63.4Low67 Ų6768 Ų6847%0.46939%0.386SS..Hα-helixtrans-75-20.3-179.659.50000113.8T704 P705T704-S707 PolarHBondContact O-N 3.24Å; T704-S707 PolarHBondContact O-OG 2.85Å; P705-S707 PolarHBondContact O-N 2.8Å
708L65.6Low63.6Low74 Ų7471.4 Ų71.439%0.38741%0.406SS..Hα-helixtrans-77.1-47.8174.5-62.1174.6000110.7R492 V703 P705 V706R492-L708 PolarHBondContact NH1-O 2.65Å; V703-L708 HydrophobicContact CG1-CD1 3.97Å; V703-L708 HydrophobicContact CG1-CD2 4.17Å; V703-L708 HydrophobicContact CG1-CG 4.08Å; P705-L708 PolarHBondContact O-N 3.1Å; V706-L708 VanDerWaalsContact C-N 3.32Å; V706-L708 PolarHBondContact O-N 3.42Å
709Y69.7Low63.2Low7 Ų776.8 Ų76.83%0.02742%0.416CS..Hα-helixtrans-107.6-14.3-161.1-54.4-45.3000115.6Q560 V577 H579 P705Q560-Y709 HydrophobicContact CG-CE1 3.95Å; Q560-Y709 PolarHBondContact NE2-OH 2.91Å; V577-Y709 HydrophobicContact CB-CG 4.37Å; V577-Y709 HydrophobicContact CG1-CD1 3.86Å; V577-Y709 HydrophobicContact CG1-CD2 4.22Å; V577-Y709 HydrophobicContact CG1-CG 3.71Å; H579-Y709 HydrophobicContact CB-CE2 4.5Å; H579-Y709 AromaticContact ND1-CE2 3.62Å; H579-Y709 AromaticContact ND1-CZ 3.99Å; H579-Y709 PolarHBondContact ND1-OH 2.69Å; H579-Y709 PolarHBondContact O-OH 3.24Å; P705-Y709 HydrophobicContact CB-CD2 4.02Å; P705-Y709 HydrophobicContact CB-CE2 4.02Å; P705-Y709 WeakPolarHBondContact O-CD2 3.09Å; P705-Y709 PolarHBondContact O-N 3.01Å
710M76.5Confident63.4Low8 Ų873.8 Ų73.84%0.03940%0.401CS..BIsolated β-bridgetrans-112.5167.3-177.5-52.4176-173.700110.7R492 L493 P495 P496 F590 V592 A617 V706R492-M710 PolarHBondContact NH1-O 2.67Å; L493-M710 WeakPolarHBondContact O-CA 3.18Å; L493-M710 WeakPolarHBondContact O-CB 3.45Å; P495-M710 HydrophobicContact CB-CB 3.98Å; P496-M710 HydrophobicContact CG-SD 4.49Å; F590-M710 HydrophobicContact CE1-CE 3.82Å; V592-M710 HydrophobicContact CB-CE 3.75Å; V592-M710 HydrophobicContact CG1-CE 3.72Å; A617-M710 HydrophobicContact CB-CE 3.42Å; A617-M710 VanDerWaalsContact CB-CE 3.42Å; A617-M710 HydrophobicContact CB-SD 3.42Å; A617-M710 WeakPolarHBondContact CB-SD 3.39Å; V706-M710 HydrophobicContact CB-SD 4.1Å; V706-M710 HydrophobicContact CG1-CB 4.47Å; V706-M710 HydrophobicContact CG1-SD 3.79Å; V706-M710 HydrophobicContact CG2-CE 4.03Å; V706-M710 HydrophobicContact CG2-SD 3.88Å; V706-M710 VanDerWaalsContact O-CB 3.29Å; V706-M710 WeakPolarHBondContact O-CB 3.38Å; V706-M710 PolarHBondContact O-N 2.87Å
711G68.1Low63.7Low20 Ų2077.3 Ų77.321%0.20642%0.418CS..SBendtrans131-174.7179.500000112.8R492 L493R492-G711 VanDerWaalsContact CB-O 3.25Å; R492-G711 WeakPolarHBondContact CB-O 3.27Å; L493-G711 PolarHBondContact O-N 2.94Å; L493-G711 VanDerWaalsContact O-N 3.14Å
712E58Low63.7Low189 Ų18981.7 Ų81.788%0.88343%0.434SS*.SBendtrans-83.4145.5179.9-62.9-171.516900112.2
713G61.3Low64Low56 Ų5678.3 Ų78.358%0.57742%0.421SS*.SBendtrans85.3-155.8171.500000115.4R492R492-G713 PolarHBondContact N-O 3.13Å; R492-G713 VanDerWaalsContact N-O 3.14Å
714M64.1Low64.4Low118 Ų11878.5 Ų78.558%0.58142%0.418SS*.BIsolated β-bridgetrans-88.8160.9179.1-61.8-63-17800111N490 E491 R492N490-M714 VanDerWaalsContact C-SD 3.59Å; N490-M714 HydrophobicContact CB-CB 4.47Å; N490-M714 HydrophobicContact CB-SD 3.73Å; N490-M714 CarbonylContact O-C 3.56Å; N490-M714 WeakPolarHBondContact O-CA 3.43Å; E491-M714 HydrophobicContact CB-SD 4.37Å; E491-M714 HydrophobicContact CG-CE 3.97Å; E491-M714 HydrophobicContact CG-SD 3.84Å; R492-M714 PolarHBondContact NE-O 3.03Å
715V67.1Low64.6Low22 Ų2278.8 Ų78.813%0.13342%0.419CS..  trans-88.8135.1161-171.50000108.3N490 R492 L717N490-V715 PolarHBondContact O-N 3.45Å; R492-V715 HydrophobicContact CG-CG2 3.46Å; R492-V715 VanDerWaalsContact CG-CG2 3.46Å; V715-L717 VanDerWaalsContact C-N 3.31Å; V715-L717 HydrophobicContact CB-CD1 4.09Å; V715-L717 HydrophobicContact CB-CD2 4.17Å; V715-L717 HydrophobicContact CB-CG 3.77Å; V715-L717 HydrophobicContact CG1-CD1 4.38Å; V715-L717 HydrophobicContact CG1-CD2 3.54Å; V715-L717 HydrophobicContact CG1-CG 3.66Å; V715-L717 PolarHBondContact O-N 3.05Å
716E63.3Low64.4Low196 Ų19681.8 Ų81.892%0.91643%0.434SS*.  trans-68.993.1163.1-71.6-176.8167.100108.2
717L64.4Low64Low31 Ų3185 Ų8516%0.16246%0.456CS..  trans-106.9152.8174.6-62.9172.3000108.7R559 Q560 V715 E719R559-L717 HydrophobicContact CG-CD1 4.37Å; R559-L717 HydrophobicContact CG-CD2 4.33Å; Q560-L717 WeakPolarHBondContact O-CD2 3.46Å; V715-L717 VanDerWaalsContact C-N 3.31Å; V715-L717 HydrophobicContact CB-CD1 4.09Å; V715-L717 HydrophobicContact CB-CD2 4.17Å; V715-L717 HydrophobicContact CB-CG 3.77Å; V715-L717 HydrophobicContact CG1-CD1 4.38Å; V715-L717 HydrophobicContact CG1-CD2 3.54Å; V715-L717 HydrophobicContact CG1-CG 3.66Å; V715-L717 PolarHBondContact O-N 3.05Å; L717-E719 PolarHBondContact O-N 2.86Å
718P70Confident63.6Low98 Ų9887.1 Ų87.164%0.63646%0.462SS*.PPolyproline II helixtrans-50.7132.6174.7-27.135.2000111.2R559 I720R559-P718 PolarHBondContact NH1-O 2.98Å; P718-I720 PolarHBondContact O-N 3.2Å
719E58.2Low62.5Low198 Ų19889.3 Ų89.393%0.92547%0.468SS*.PPolyproline II helixtrans-59.5133176.9-65.8-173.7153.400109.5L717L717-E719 PolarHBondContact O-N 2.86Å
720I67.7Low61.1Low40 Ų4094.7 Ų94.721%0.20551%0.507CS..PPolyproline II helixtrans-96124.6178.6-64.1169.5000107.4P556 F557 P718 E722 I725P556-I720 HydrophobicContact CB-CD1 4.31Å; P556-I720 HydrophobicContact CB-CG1 4.35Å; P556-I720 HydrophobicContact CB-CG2 3.59Å; P556-I720 WeakPolarHBondContact O-CD1 3.27Å; P556-I720 WeakPolarHBondContact O-CG1 3.35Å; F557-I720 HydrophobicContact CB-CD1 4.45Å; F557-I720 HydrophobicContact CD1-CD1 3.42Å; F557-I720 VanDerWaalsContact CD1-CD1 3.42Å; F557-I720 HydrophobicContact CD2-CD1 3.81Å; F557-I720 HydrophobicContact CE1-CD1 3.4Å; F557-I720 HydrophobicContact CE2-CD1 3.77Å; F557-I720 HydrophobicContact CE2-CG2 4.42Å; F557-I720 HydrophobicContact CG-CD1 3.63Å; F557-I720 HydrophobicContact CZ-CD1 3.57Å; P718-I720 PolarHBondContact O-N 3.2Å; I720-E722 PolarHBondContact O-N 3.07Å; I720-I725 HydrophobicContact CG2-CD1 3.76Å; I720-I725 HydrophobicContact CG2-CG1 3.92Å
721D69.3Low59.1Low92 Ų9297.8 Ų97.849%0.49254%0.541SS..PPolyproline II helixtrans-64120175.1-166.6-27.5000110.5E723 L724D721-E723 PolarHBondContact O-N 3.49Å; D721-E723 WeakPolarHBondContact OD1-CB 3Å; D721-E723 PolarHBondContact OD1-N 3.09Å; D721-L724 HydrophobicContact CB-CD1 4.06Å; D721-L724 HydrophobicContact CB-CG 4.09Å; D721-L724 PolarHBondContact O-N 3.17Å
722E59.3Low57.3Low150 Ų150104.6 Ų104.670%0.70157%0.572SS**Hα-helixtrans-65.1-24179.2-65.7-161.9162.700112.3I720 L724 I725 L726I720-E722 PolarHBondContact O-N 3.07Å; E722-L724 VanDerWaalsContact C-N 3.3Å; E722-L724 PolarHBondContact O-N 2.81Å; E722-I725 PolarHBondContact O-N 3.31Å; E722-L726 WeakPolarHBondContact O-CG 3.3Å; E722-L726 PolarHBondContact O-N 3.23Å; E722-L726 VanDerWaalsContact O-N 3.08Å
723E59.7Low56.4Low140 Ų14099.3 Ų99.365%0.65457%0.569SS**Hα-helixtrans-66.5-33.2176.8-168.5159.8-135.900111.4D721 L726 S727D721-E723 PolarHBondContact O-N 3.49Å; D721-E723 WeakPolarHBondContact OD1-CB 3Å; D721-E723 PolarHBondContact OD1-N 3.09Å; E723-L726 PolarHBondContact O-N 3.37Å; E723-S727 WeakPolarHBondContact O-CB 3.34Å; E723-S727 PolarHBondContact O-N 3.05Å; E723-S727 PolarHBondContact O-OG 3.08Å
724L63Low55Low100 Ų100101.4 Ų101.452%0.52457%0.574SS.*Hα-helixtrans-68.1-39.9172.3-62.9176.7000112.1D721 E722 L726 S727D721-L724 HydrophobicContact CB-CD1 4.06Å; D721-L724 HydrophobicContact CB-CG 4.09Å; D721-L724 PolarHBondContact O-N 3.17Å; E722-L724 VanDerWaalsContact C-N 3.3Å; E722-L724 PolarHBondContact O-N 2.81Å; L724-L726 VanDerWaalsContact C-N 3.27Å; L724-L726 PolarHBondContact O-N 3.47Å; L724-S727 PolarHBondContact O-N 3.26Å
725I63.9Low53.8Low21 Ų2199.8 Ų99.811%0.10859%0.588CS.*Hα-helixtrans-64.1-34.5177.7-59.8177.7000111.1P482 F557 I720 E722P482-I725 HydrophobicContact CG-CG2 3.59Å; F557-I725 HydrophobicContact CE2-CD1 3.98Å; F557-I725 HydrophobicContact CE2-CG1 4.34Å; F557-I725 HydrophobicContact CZ-CD1 3.9Å; I720-I725 HydrophobicContact CG2-CD1 3.76Å; I720-I725 HydrophobicContact CG2-CG1 3.92Å; E722-I725 PolarHBondContact O-N 3.31Å
726L55Low51.9Low85 Ų85107.6 Ų107.645%0.44562%0.62SS.*Hα-helixtrans-80.1-34.5178.7-67.4172.7000113E722 E723 L724 L728E722-L726 WeakPolarHBondContact O-CG 3.3Å; E722-L726 PolarHBondContact O-N 3.23Å; E722-L726 VanDerWaalsContact O-N 3.08Å; E723-L726 PolarHBondContact O-N 3.37Å; L724-L726 VanDerWaalsContact C-N 3.27Å; L724-L726 PolarHBondContact O-N 3.47Å; L726-L728 VanDerWaalsContact C-N 3.27Å; L726-L728 PolarHBondContact O-N 3.36Å
727S54.3Low50.2Low72 Ų72104.5 Ų104.550%0.50362%0.619SS.*Hα-helixtrans-65.8-24.1-177.2-65.20000114.3E723 L724 K729E723-S727 WeakPolarHBondContact O-CB 3.34Å; E723-S727 PolarHBondContact O-N 3.05Å; E723-S727 PolarHBondContact O-OG 3.08Å; L724-S727 PolarHBondContact O-N 3.26Å; S727-K729 PolarHBondContact O-N 3.36Å
728L56.8Low48.4Very low112 Ų112111.5 Ų111.559%0.58665%0.648SS**THydrogen-bonded Turntrans-64.84.1179-72.1167000115.4L554 L726L554-L728 HydrophobicContact CD1-CD1 4.18Å; L726-L728 VanDerWaalsContact C-N 3.27Å; L726-L728 PolarHBondContact O-N 3.36Å
729K43.8Very low46.7Very low121 Ų121111.8 Ų111.853%0.52665%0.648SS.*THydrogen-bonded Turntrans-97.9-10-175.6-72.5-176.8177.4175.40115.9S727 G731S727-K729 PolarHBondContact O-N 3.36Å; K729-G731 PolarHBondContact O-N 3.27Å
730S39.6Very low45.4Very low119 Ų119109.2 Ų109.283%0.83264%0.64SS**  trans-92.670.3-179.960.50000112.4
731G33.6Very low43.8Very low74 Ų74114 Ų11476%0.76367%0.666SS**  trans-147.569.4-177.200000113.5K729K729-G731 PolarHBondContact O-N 3.27Å
732D32.1Very low42.1Very low162 Ų162116 Ų11687%0.86668%0.681SS**  trans-88.4144.9170-169.717.8000111.5S734D732-S734 PolarHBondContact O-N 3.28Å
733G37.6Very low40.9Very low78 Ų78116.1 Ų116.180%0.80469%0.687SS**  trans-81.371-165.900000114.8
734S32.9Very low40Very low100 Ų100117 Ų11770%0.69970%0.696SS**  trans-11378.2176.4-174.80000112.6D732 K736D732-S734 PolarHBondContact O-N 3.28Å; S734-K736 PolarHBondContact O-N 3.16Å
735G38.8Very low38.7Very low84 Ų84119.8 Ų119.887%0.86671%0.712SS**  trans-70.886.9173.500000112.7
736K27.4Very low37.2Very low186 Ų186127 Ų12781%0.80975%0.745SS**  trans-134.399.6165.2-81-173.9176.4176.30110.6S734 K738S734-K736 PolarHBondContact O-N 3.16Å; K736-K738 PolarHBondContact O-N 3.39Å
737C27.7Very low36.5Very low132 Ų132131.1 Ų131.189%0.89276%0.764SS**PPolyproline II helixtrans-59.9121.9163.3-56.30000108.5
738K26.1Very low35.7Very low178 Ų178132.3 Ų132.377%0.77477%0.77SS**PPolyproline II helixtrans-85.4128.6155.3-88-167.6165.2-160.60107.9K736K736-K738 PolarHBondContact O-N 3.39Å
739V33.8Very low34.5Very low104 Ų104132.7 Ų132.763%0.6378%0.779SS**PPolyproline II helixtrans-80.4135.9154.8-178.10000106.1D741V739-D741 VanDerWaalsContact CG1-OD1 3.29Å; V739-D741 WeakPolarHBondContact CG1-OD1 3.42Å
740D30.5Very low34.3Very low143 Ų143135 Ų13577%0.76580%0.797SS**  trans-123.9106.8157.3-76-57.1000105.2
741D34.1Very low33.7Very low141 Ų141137.5 Ų137.575%0.75480%0.795SS**  trans-77.7140.6-178.7-57.6-77000111.1V739V739-D741 VanDerWaalsContact CG1-OD1 3.29Å; V739-D741 WeakPolarHBondContact CG1-OD1 3.42Å
742V34.3Very low33.7Very low133 Ų133140.7 Ų140.781%0.80679%0.794SS**  trans-140.4109.3155.9-175.90000109.2
743D33.7Very low33.7Very low154 Ų154138.6 Ų138.682%0.82478%0.781SS**  trans-1141.6166.5-54.4-64.9000121.8
744D40.8Very low33.5Very low157 Ų157142.3 Ų142.384%0.8478%0.778SS**  trans-60.7152.8157.5-61.1-78.5000112.1
745D35.4Very low33.4Very low160 Ų160144.6 Ų144.686%0.85678%0.782SS**  -168.3164.7111.7-131.1-35.3000114.9
746E33.6Very low33.2Very low172 Ų172144.7 Ų144.780%0.80477%0.77SS**  trans60.8106.7154.6-158.4160.1-137.100121
747M40.3Very low33.2Very low172 Ų172144.4 Ų144.485%0.84777%0.771SS**  trans-124118.3165.6-179.2-142.270.300111.6
748P37.5Very low33.2Very low96 Ų96146.5 Ų146.562%0.62377%0.765SS**  trans-147174.6146.940.5-26000113.7
749P32Very low33.6Very low120 Ų120143.9 Ų143.978%0.77976%0.758SS**  -125.6175.2-51.638.4-25.2000111.7
750L38Very low34.3Very low171 Ų171144.1 Ų144.190%0.89576%0.762SS**  trans-101.1129169.8-74.2171.2000111.6
751E28.3Very low34.3Very low170 Ų170144.6 Ų144.679%0.79476%0.76SS**  trans-137.2120.2151.5-74.9-160.9148.600107.6
752L32.6Very low34.3Very low142 Ų142143.7 Ų143.774%0.74375%0.753SS**  70.8138.497-60.5169.5000112.9
753I32.5Very low34Very low117 Ų117144.6 Ų144.660%0.675%0.749SS**  cis-160.315714.2-141.7163.8000113.1
754E32.7Very low33.7Very low156 Ų156143.1 Ų143.173%0.72975%0.745SS**  trans59.5155159.4-74.8140-155.700119.6
755D31Very low33Very low149 Ų149141.8 Ų141.880%0.79774%0.743SS**  cis-147.1150.729.3-140.1-20.9000117
756S34.4Very low32.7Very low86 Ų86142 Ų14260%0.60174%0.739SS**  trans32.1146164.8-134.20000128.6
757E29Very low32.4Very low180 Ų180141 Ų14184%0.84174%0.738SS**  trans82.6105.1143.5-88153.1-102.600124.5
758F27.1Very low31.8Very low176 Ų176138.5 Ų138.577%0.77273%0.733SS**  trans-77.1147.5163.6-104.7-131.1000111.5
759I35.1Very low31.9Very low122 Ų122139.2 Ų139.263%0.62674%0.737SS**  58.711466.1-55.2166.7000114
760P46.8Very low31.6Very low109 Ų109139.3 Ų139.371%0.70874%0.739SS**  -137.2157.1120.517.92.6000112.2
761H30.8Very low31.2Very low154 Ų154137.6 Ų137.671%0.71374%0.742SS**  cis-176.9175.60.1-97.7-10.2000105.8
762I33.6Very low31Very low121 Ų121133.1 Ų133.162%0.62174%0.741SS**  cis-173147.9-8.5-101.7168.1000103.3
763Q28.7Very low30.8Very low152 Ų152134 Ų13471%0.7175%0.746SS**  cis-154.1167.6-10.1-96.9170.6-29.100106.2
764V26.9Very low30.6Very low123 Ų123135 Ų13575%0.74575%0.752SS**  cis73.7135.340.2-168.90000110.4
765T26.6Very low30.3Very low130 Ų130135 Ų13580%0.79875%0.754SS**  cis-153.5167.228.8-20.20000113.3
766E28.6Very low30.1Very low165 Ų165134 Ų13477%0.77175%0.748SS**  trans-81.6171.6150.8-62.5-174.9136.500110.6
767L27.9Very low29.7Very low150 Ų150137.4 Ų137.479%0.78575%0.754SS**  -169.7173.558.8-85170.8000113
768T27.5Very low29.6Very low120 Ų120134.7 Ų134.774%0.73675%0.751SS**  trans-60-178.817352.10000117.7
769P39.6Very low30.4Very low110 Ų110131.8 Ų131.871%0.71475%0.749SS**  cis-139.6170.5-40.637.7-19.6000116.5
770C26.8Very low30.9Very low122 Ų122131 Ų13182%0.82475%0.752SS**  trans24.5123.1152.8-62.30000124.4
771S28Very low29.9Very low135 Ų135131.3 Ų131.394%0.94476%0.756SS**  -176.5150.7125.2-840000113.3
772G25.8Very low29.9Very low76 Ų76129.1 Ų129.178%0.78476%0.757SS**  trans11884.5154.700000120.6
773L27.6Very low29.6Very low160 Ų160129.4 Ų129.484%0.83876%0.76SS**  trans27.3128.9142.6-56.5177.3000123.8
774L27.2Very low29.8Very low140 Ų140130.6 Ų130.673%0.73377%0.766SS**  trans76.7134.1135.3-98.874.9000123.8
775M27.3Very low29.7Very low155 Ų155128 Ų12876%0.76476%0.764SS**  trans79.697.9143.9-64.8-58.7171.700122.8
776D26.4Very low29.8Very low127 Ų127126.4 Ų126.468%0.67976%0.764SS**  98.2147.3106.1-150.925.4000121.1
777Q26.4Very low29.6Very low158 Ų158122.7 Ų122.774%0.73876%0.761SS**  trans71.695.7164.3-43.5-147.515.900122
778T27.2Very low29.5Very low124 Ų124124.3 Ų124.376%0.76176%0.762SS**  -40172.3129.6470000115.7
779P43.3Very low29.5Very low115 Ų115123.4 Ų123.475%0.74776%0.757SS**  cis-131.4-137.1-15.135.1-11000108.9
780P46.6Very low28.8Very low106 Ų106124.2 Ų124.269%0.68876%0.755SS**  cis-131.3-177.5-2235.1-14.3000115.9
781C25.8Very low28.8Very low115 Ų115126.1 Ų126.178%0.77775%0.752SS**  trans9.9153.8150-49.10000120.6
782S29.3Very low28.8Very low107 Ų107125.8 Ų125.875%0.74874%0.739SS**  cis-165.1140.642.3-36.40000108.6
783D28.8Very low28.8Very low128 Ų128127.3 Ų127.368%0.68473%0.733SS**  87.213778.6-164.329.9000115
784Q31.8Very low28.8Very low177 Ų177126.2 Ų126.283%0.82773%0.727SS**  trans59.1151.2174.1-65.4162.464.100118.4
785G26Very low28.7Very low68 Ų68127.5 Ų127.570%0.70173%0.729SS**  cis161.5157.9-700000112.6
786A27.6Very low28.5Very low96 Ų96126 Ų12679%0.79373%0.729SS**  trans61.2123.2173.800000117.3
787A25.1Very low28.5Very low87 Ų87125 Ų12572%0.71973%0.732SS**  91.1166.953.400000113.8
788F25.5Very low28.7Very low185 Ų185121.9 Ų121.981%0.81173%0.734SS**  trans78.2135-173.5-60.6-81.7000116.7
789T26.8Very low29.5Very low101 Ų101121.1 Ų121.162%0.6273%0.731SS**  cis-170176.8-28.7160000110.1
790D26Very low28.7Very low127 Ų127124.1 Ų124.168%0.67974%0.739SS**  trans77.4132.2153.9-57.1-23.8000118.3
791E26.9Very low27.9Very low161 Ų161123.3 Ų123.375%0.75274%0.742SS**  cis78.213948.8-81.4-139.4130.600113.4
792L28.1Very low29.5Very low129 Ų129123.4 Ų123.468%0.67574%0.741SS**  cis-134.4-166.4-9.7-61.298.4000108.2
793T25.3Very low30.3Very low107 Ų107124.7 Ų124.766%0.65675%0.747SS**  cis-161.5-175.63.4-13.40000109.6
794L26.9Very low30.3Very low137 Ų137125.4 Ų125.472%0.71775%0.751SS**  trans78.5109.4164-46.5-173.3000115.9
795Q25Very low30.2Very low167 Ų167123.5 Ų123.578%0.7875%0.745SS**  62.4131.557.5-52.3176.7-23.700111.8
796T23.6Very low30.5Very low123 Ų123127 Ų12776%0.75575%0.746SS**  cis-165.1168.344-44.80000111.8
797S27Very low30.6Very low107 Ų107128.9 Ų128.975%0.74874%0.739SS**  trans63111.5152.654.10000121.4
798A30.6Very low30.8Very low93 Ų93130.2 Ų130.277%0.76974%0.738SS**  trans-76.9167.813200000109.1
799P43.1Very low31.2Very low107 Ų107131 Ų13170%0.69574%0.736SS**  -157.8176.173.743.5-23.6000118.3
800L27.2Very low31.4Very low178 Ų178132.2 Ų132.293%0.93274%0.739SS**  trans69.9168.4151.4-74.7159.1000119.6
801A30.6Very low31.5Very low89 Ų89131.3 Ų131.374%0.73674%0.738SS**  trans-130.7-149.8-156.500000114
802P58.3Low31.6Very low117 Ų117130 Ų13076%0.7674%0.741SS**  -91.1178.8-114.241.9-34.6000115
803P46.1Very low31.7Very low134 Ų134128.3 Ų128.387%0.8775%0.746SS**  -138.7-173.9129.740.2-28.1000114.3
804D28.3Very low32Very low144 Ų144127.7 Ų127.777%0.7775%0.752SS**  trans-122.1174.4-162.7-159.9-6.2000112.8
805L30.1Very low32.1Very low136 Ų136125.7 Ų125.771%0.71276%0.755SS**  trans81.2143.4153-76166.2000124.2
806I31.7Very low32.3Very low141 Ų141122.1 Ų122.172%0.72375%0.754SS**  trans78.5125.6150.8-71.2158.4000116.9
807Q30.8Very low32.4Very low137 Ų137124.2 Ų124.264%0.6476%0.76SS**  cis-144-149.25.1-136.8-170.7102.100111.1
808T30.1Very low32.3Very low115 Ų115124.4 Ų124.471%0.70676%0.76SS**  cis-160.7157.520.6-25.20000113.5
809R32.1Very low32.2Very low200 Ų200129 Ų12976%0.75577%0.765SS**  trans-7.5155.1150.1-66.8179.2168.1148.4-1.2120.2
810N31.3Very low31.5Very low128 Ų128130.6 Ų130.668%0.68477%0.773SS**  cis-164.5176.11.7-107.6-3.2000108.3
811T27.8Very low31.8Very low108 Ų108131.1 Ų131.166%0.66377%0.77SS**  cis-164.2135.833.2-25.70000111.8
812T29.3Very low31.7Very low132 Ų132131.6 Ų131.681%0.8177%0.774SS**  trans42.8149.1148.653.10000122.6
813A31.1Very low30.4Very low94 Ų94133.1 Ų133.178%0.77778%0.776SS**  cis179.3-174.2-12.300000105.5
814A30.6Very low29.6Very low95 Ų95134.7 Ų134.779%0.78577%0.772SS**  cis-168.9166.7-8.200000105.9
815A29.5Very low29.7Very low94 Ų94134.1 Ų134.178%0.77777%0.773SS**  cis-171.4-173.3-16.400000108.2
816A28.4Very low29.6Very low92 Ų92131.8 Ų131.876%0.7677%0.774SS**  trans73.7140.6175.200000117.1
817L26.8Very low29.4Very low168 Ų168133.7 Ų133.788%0.8878%0.782SS**  cis-155.3167.2-11.2-117172.5000109.8
818C23.6Very low29.3Very low111 Ų111131.5 Ų131.575%0.7579%0.787SS**  trans-129.8177.2-174.7-68.70000113.5
819Q30.3Very low29.3Very low190 Ų190131.6 Ų131.689%0.88879%0.792SS**  trans83.3144.7172.7-54.8177.1-7.800114.1
820T27.7Very low30Very low139 Ų139127.3 Ų127.385%0.85379%0.79SS**  cis-135.2178.338.9510000116.4
821E32.9Very low30.4Very low189 Ų189126.8 Ų126.888%0.88379%0.794SS**  trans-99164.5-173.9-52.8159.5115.300113.7
822A28.4Very low30.4Very low99 Ų99128 Ų12882%0.81880%0.801SS**  168.1115.6128.500000115.8
823N31.7Very low30.6Very low149 Ų149127.7 Ų127.780%0.79780%0.8SS**  trans21.3145.9140.4-88.513.9000126.9
824E28.9Very low31.4Very low167 Ų167128.7 Ų128.778%0.7880%0.799SS**  trans98.6125.6132.4-86.2-170.3146.400124.9
825V29.8Very low31.3Very low132 Ų132129.2 Ų129.280%0.880%0.796SS**  trans70140.3143.9179.30000120.1
826A28.9Very low31.5Very low87 Ų87129.5 Ų129.572%0.71979%0.793SS**  trans-103.9156.5-178.300000113.1
827M28.5Very low31.3Very low181 Ų181131.7 Ų131.789%0.89279%0.792SS**  trans-167.5146.8154.7-111.5-59.4-175.600114.5
828A27.7Very low31.5Very low91 Ų91128.2 Ų128.275%0.75278%0.781SS**  trans69158145.400000122.8
829S29.4Very low31.8Very low117 Ų117127.7 Ų127.782%0.81878%0.779SS**  trans-100.1175.4-172.5-42.10000112.6
830P46.6Very low31.7Very low110 Ų110124.4 Ų124.471%0.71478%0.777SS**  trans-95.6164.3-16638-36.2000115.5
831P40.9Very low31.7Very low118 Ų118123.1 Ų123.177%0.76677%0.774SS**  trans-81.5144155.634.5-31.4000110.5
832T28.3Very low31.4Very low132 Ų132118.8 Ų118.881%0.8176%0.764SS**  cis104.6141.533.2-63.40000112.6
833T33.7Very low31.4Very low126 Ų126121 Ų12177%0.77377%0.767SS**  trans-87.1-176-166.959.30000113.4
834P46Very low31.1Very low116 Ų116121.3 Ų121.375%0.75376%0.764SS**  -128-164.576.243.9-33.8000110.7
835S29.9Very low31Very low106 Ų106122.6 Ų122.674%0.74177%0.77SS**  cis-172.4158-8.727.20000106
836S32.5Very low30.9Very low100 Ų100123.3 Ų123.370%0.69977%0.765SS**  cis-164-159.1-15.751.30000105.7
837D25.2Very low30.8Very low138 Ų138125.5 Ų125.574%0.73876%0.763SS**  cis-162-17111.2-138.4-59.7000111.9
838S30.1Very low30.7Very low94 Ų94123.7 Ų123.766%0.65776%0.757SS**  trans4.7144.4158.268.20000122.5
839S29.8Very low30.6Very low100 Ų100128 Ų12870%0.69976%0.762SS**  cis-179.7143-11.150.40000112.7
840S28.8Very low30.8Very low121 Ų121128.3 Ų128.385%0.84676%0.761SS**  trans64.7158.6157.474.60000118.4
841S27.5Very low29.9Very low113 Ų113127.5 Ų127.579%0.7976%0.764SS**  cis-138.1154.57.960.10000114.1
842S26.9Very low29.3Very low97 Ų97131.6 Ų131.668%0.67877%0.769SS**  trans-70.2152.3-178.652.20000116.7
843V27.6Very low29.3Very low147 Ų147131.8 Ų131.889%0.89177%0.77SS**  -133.3139.8125-179.70000107.6
844Q26.4Very low28.9Very low154 Ų154133.7 Ų133.772%0.7278%0.775SS**  trans-114.8152.2171.4-67.6171-101.400109.1
845E26.4Very low27.9Very low195 Ų195134.1 Ų134.191%0.91178%0.775SS**  trans-147.7131.3135.2-145.7164.5-161.700110
846E27.8Very low27.6Very low147 Ų147133.4 Ų133.469%0.68777%0.771SS**  trans-89174.3169.1-68.9-17982.300108.2
847L27.5Very low27.3Very low132 Ų132135.3 Ų135.369%0.69177%0.772SS**  cis-170174.841.2-165.870.6000110.5
848N25Very low27.3Very low144 Ų144136 Ų13677%0.7777%0.769SS**  trans92.285.8163-60.9-34.9000118.9
849Q27.2Very low27.1Very low180 Ų180138.3 Ų138.384%0.84178%0.779SS**  trans-43.2163.5132.6-85.7-173.244.900113.5
850P33Very low26.9Very low124 Ų124138.9 Ų138.981%0.80577%0.771SS**  cis-138172.841.140.5-21.6000118.5
851A27.8Very low26.9Very low93 Ų93138 Ų13877%0.76976%0.762SS**  trans-65.7155.6-17600000114.2
852K27.2Very low26.7Very low204 Ų204138.3 Ų138.389%0.88776%0.764SS**  trans-132.9131154.9-145.8175.7-171.5-178.10108.9
853V28.4Very low26.8Very low136 Ų136138.5 Ų138.582%0.82477%0.766SS**  trans-66.4135.2173.9176.20000108.7
854L25.9Very low27Very low166 Ų166139.1 Ų139.187%0.86976%0.762SS**  trans-136.4140.9159.5-104.6175000110.7
855T24.6Very low27.1Very low125 Ų125139.5 Ų139.577%0.76777%0.768SS**  trans-79.7161.8-170.1-36.20000111.6
856S24.5Very low27Very low92 Ų92135.1 Ų135.164%0.64375%0.746SS**  trans-75.9172.6178.348.10000114.3
857L24.7Very low27.1Very low139 Ų139138.4 Ų138.473%0.72875%0.752SS**  trans104.6113.6154.6-52.1-171.7000118.6
858F25.7Very low27Very low154 Ų154139.4 Ų139.468%0.67576%0.758SS**  trans45.294138.8-62.9-67.6000120.4
859T27Very low27Very low141 Ų141139 Ų13987%0.86576%0.755SS**  trans-64.5137.2138.8-10.10000110.6
860E26Very low27Very low113 Ų113139.6 Ų139.653%0.52876%0.758SS.*  trans-152.2155.4160.9-97.8-72.111400107.4R502R502-E860 HydrophobicContact CB-CG 4.45Å; R502-E860 WeakPolarHBondContact CB-OE2 3.4Å
861P27.6Very low26.6Very low102 Ų102137.4 Ų137.466%0.66276%0.758SS**  trans-103.5171.9-157.239-34.7000115.9
862S23.9Very low26.4Very low119 Ų119138.8 Ų138.883%0.83276%0.76SS**  trans-91.9163.9176.243.50000113.9
863S28.6Very low26.3Very low102 Ų102135.5 Ų135.571%0.71376%0.758SS**  trans-94.5178.5-165.449.20000115.8
864I32.1Very low26.3Very low159 Ų159136.9 Ų136.982%0.81576%0.759SS**  trans-97.6151-159.9-71.2170.9000114.3
865L27.6Very low26.2Very low162 Ų162132.7 Ų132.785%0.84876%0.755SS**  trans-30.8147.2166.3-73.6150.1000118.3
866K25.9Very low26.2Very low103 Ų103132.7 Ų132.745%0.44876%0.761SS.*  trans-130.3157.4157.2-89.1174.6172.7170.70110.6T670 T672 D675T670-K866 WeakPolarHBondContact O-CE 3.39Å; T670-K866 PolarHBondContact O-NZ 3.48Å; T672-K866 PolarHBondContact O-NZ 2.75Å; D675-K866 IonicContact OD1-NZ 3.62Å; D675-K866 PolarHBondContact OD1-NZ 3.38Å
867R29.2Very low26.2Very low216 Ų216137.2 Ų137.282%0.81577%0.772SS**  trans120.2141.8170.6-72.2-167-79.1-171.10.9112.8
868L25.9Very low26.2Very low154 Ų154139.8 Ų139.881%0.80678%0.782SS**  cis-148.1163.84.7-126.8169.8000111.2
869N23.6Very low26.1Very low135 Ų135137.7 Ų137.772%0.72279%0.787SS**  trans-127.1136.8-178.9177.94.4000109.6
870Q28.3Very low26.3Very low193 Ų193137 Ų13790%0.90279%0.785SS**  trans171.3144.6139.5-98.2171.242.400113.4
871G24.8Very low26.2Very low77 Ų77139.7 Ų139.779%0.79480%0.802SS**  trans124.272.3133.300000120.2
872C23.8Very low26.1Very low122 Ų122142.8 Ų142.882%0.82481%0.812SS**  -163.8136.1128.2-156.90000112.1
873T24.9Very low26.2Very low135 Ų135143.1 Ų143.183%0.82881%0.809SS**  trans-124.7123176.951.40000111.4
874I28.3Very low25.9Very low166 Ų166149.8 Ų149.885%0.85182%0.818SS**  trans-133.6126.2160.4-59.2-178.8000107.1
875G23.1Very low25.8Very low77 Ų77149.8 Ų149.879%0.79482%0.82SS**  trans-96.8157.2-175.400000114
876S24.8Very low25.8Very low126 Ų126147.6 Ų147.688%0.88182%0.818SS**  trans-144.8143.8163.6-172.50000109.1
877Q24.3Very low26Very low186 Ų186146.2 Ų146.287%0.86983%0.833SS**  trans-92.1139.5179.9-67.7179.5-21.400111.2
878M24.4Very low26Very low194 Ų194142.1 Ų142.196%0.95683%0.826SS**  trans-148.7153.5142.2-94-149.2162.800111.6
879S24.7Very low26.1Very low110 Ų110140.9 Ų140.977%0.76983%0.827SS**  trans-94.8164.7-173.2-55.40000111.6
880P30Very low26.7Very low127 Ų127139.7 Ų139.783%0.82582%0.816SS**  trans-80154.6-162.932.2-36.3000114.3
881L24.6Very low27Very low168 Ų168134.7 Ų134.788%0.8880%0.8SS**  trans-129.1156.8166.2-75.3175.5000110.7
882L24.8Very low27.1Very low167 Ų167137.6 Ų137.687%0.87480%0.802SS**  trans-71.4144.1-162.1-87.164.3000114.6
883V25.7Very low27.4Very low127 Ų127139.5 Ų139.577%0.7780%0.797SS**  trans-63.1138.6160.2176.90000109.9
884R23.9Very low27.4Very low242 Ų242136 Ų13691%0.91379%0.788SS**  trans-139.3127162.3-136.7178.2-171.5-172.41.7109.5
885N29.9Very low27.3Very low158 Ų158133.1 Ų133.185%0.84579%0.788SS**  trans-76.1126.9-172.8-73.1-8.6000112.7
886S26.6Very low27.5Very low117 Ų117144.7 Ų144.782%0.81881%0.808SS**  trans-149.1126.8150.754.30000107.2
887G30.8Very low27.7Very low73 Ų73145.6 Ų145.675%0.75380%0.804SS**  trans-79.4-170.2-166.500000116
888I27.9Very low27.8Very low130 Ų130143.5 Ų143.567%0.66780%0.801SS**  trans75.488.8-174.8-45.5172.8000113.4F890I888-F890 HydrophobicContact CB-CE2 4.48Å; I888-F890 HydrophobicContact CG2-CD2 3.87Å; I888-F890 HydrophobicContact CG2-CE1 4.45Å; I888-F890 HydrophobicContact CG2-CE2 3.48Å; I888-F890 VanDerWaalsContact CG2-CE2 3.48Å; I888-F890 HydrophobicContact CG2-CZ 3.81Å; I888-F890 PolarHBondContact O-N 3.39Å
889P29.9Very low28Very low129 Ų129140.7 Ų140.784%0.83879%0.792SS**  trans-77.5115.5163.731.6-30.1000109.9
890F34.7Very low28.2Very low109 Ų109142.5 Ų142.548%0.47879%0.793SS.*  trans-89.3150.5163.3-73.3-79.1000110I888 V892I888-F890 HydrophobicContact CB-CE2 4.48Å; I888-F890 HydrophobicContact CG2-CD2 3.87Å; I888-F890 HydrophobicContact CG2-CE1 4.45Å; I888-F890 HydrophobicContact CG2-CE2 3.48Å; I888-F890 VanDerWaalsContact CG2-CE2 3.48Å; I888-F890 HydrophobicContact CG2-CZ 3.81Å; I888-F890 PolarHBondContact O-N 3.39Å; F890-V892 PolarHBondContact O-N 3.22Å
891P34.7Very low28.1Very low88 Ų88143.4 Ų143.457%0.57179%0.791SS**  trans-67.3104.7179.126.2-33.9000111.6F893P891-F893 HydrophobicContact CB-CE2 4.45Å; P891-F893 PolarHBondContact O-N 3.38Å
892V28.1Very low28.4Very low138 Ų138141.8 Ų141.884%0.83679%0.786SS**  trans-8791.8176.6-178.30000109.6F890 G894F890-V892 PolarHBondContact O-N 3.22Å; V892-G894 PolarHBondContact O-N 3.43Å
893F29.5Very low28.6Very low163 Ų163140 Ų14072%0.71578%0.779SS**  trans-69.899.7169-84.1-84.9000110.8P891P891-F893 HydrophobicContact CB-CE2 4.45Å; P891-F893 PolarHBondContact O-N 3.38Å
894G25.5Very low28.8Very low62 Ų62141 Ų14164%0.63978%0.78SS**  trans-116.4130.1174.900000112.5V892V892-G894 PolarHBondContact O-N 3.43Å
895A25.3Very low29.3Very low104 Ų104132.6 Ų132.686%0.8677%0.769SS**  trans47.2105163.500000119
896R28.2Very low29.2Very low320 Ų320130.3 Ų130.3100%1.20876%0.762SS**  trans-102.20131.8-74.8-171.6177.4-167.10108

Retrieved 896 of 896 residues in 181 ms (Link to these results)

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