A0A087Y439_POEFO Loading...

Rap guanine nucleotide exchange factor 3

AlphaFold DB , UniProt , Accession A0A087Y439, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 835 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
1M40.5Very low68.8Low196 Ų19697.5 Ų97.597%0.96646%0.46SS*.  0-51.50-157.7176.2-77.600112.5Q3 F4 L5M1-Q3 PolarHBondContact O-N 2.94Å; M1-F4 PolarHBondContact O-N 3.19Å; M1-L5 PolarHBondContact O-N 3.47Å; M1-L5 VanDerWaalsContact O-N 3.14Å
2K47.4Very low70.2Confident142 Ų14289.7 Ų89.762%0.61742%0.424SS*.Hα-helixtrans-52.9-47174.4-94-175.5176.2178.40114.3F4 L5 S6K2-F4 PolarHBondContact O-N 3Å; K2-L5 PolarHBondContact O-N 3.48Å; K2-S6 PolarHBondContact O-N 3.46Å
3Q55.7Low71.5Confident159 Ų15982.8 Ų82.874%0.74339%0.391SS*.Hα-helixtrans-62.8-41.9-178.7-162.3162.16.800112.5M1 L5 S6 D7M1-Q3 PolarHBondContact O-N 2.94Å; Q3-L5 PolarHBondContact O-N 2.91Å; Q3-S6 WeakPolarHBondContact O-CB 3.11Å; Q3-S6 PolarHBondContact O-N 3.19Å; Q3-D7 VanDerWaalsContact O-CG 3.22Å; Q3-D7 PolarHBondContact O-N 3Å
4F57.9Low72.4Confident138 Ų13883.5 Ų83.561%0.60539%0.389SS*.Hα-helixtrans-63.9-36.4175.1-178.8-97.2000113.6M1 K2 R8M1-F4 PolarHBondContact O-N 3.19Å; K2-F4 PolarHBondContact O-N 3Å; F4-R8 HydrophobicContact CE1-CG 4.47Å; F4-R8 WeakPolarHBondContact O-CG 3.41Å; F4-R8 PolarHBondContact O-N 3.45Å
5L64.9Low73.2Confident72 Ų7278.3 Ų78.338%0.37737%0.365SS..Hα-helixtrans-70.1-42.3175-77.1166.5000111.2M1 K2 Q3 D7 R8 V9M1-L5 PolarHBondContact O-N 3.47Å; M1-L5 VanDerWaalsContact O-N 3.14Å; K2-L5 PolarHBondContact O-N 3.48Å; Q3-L5 PolarHBondContact O-N 2.91Å; L5-D7 VanDerWaalsContact C-N 3.33Å; L5-D7 PolarHBondContact O-N 3.34Å; L5-R8 PolarHBondContact O-N 3.31Å; L5-V9 WeakPolarHBondContact O-CG2 3.47Å; L5-V9 PolarHBondContact O-N 3Å
6S74.7Confident74.1Confident32 Ų3273.4 Ų73.422%0.22434%0.343CS..Hα-helixtrans-58.7-44.3174.6-169.70000111.1K2 Q3 R8 V9 V10 E74K2-S6 PolarHBondContact O-N 3.46Å; Q3-S6 WeakPolarHBondContact O-CB 3.11Å; Q3-S6 PolarHBondContact O-N 3.19Å; S6-R8 VanDerWaalsContact C-N 3.3Å; S6-R8 PolarHBondContact O-N 2.97Å; S6-V9 PolarHBondContact O-N 2.77Å; S6-V9 VanDerWaalsContact O-N 3.08Å; S6-V10 WeakPolarHBondContact O-CG2 3.16Å; S6-V10 PolarHBondContact O-N 2.9Å; S6-E74 WeakPolarHBondContact CB-OE2 3.46Å; S6-E74 PolarHBondContact OG-OE2 3.25Å
7D79.3Confident74.9Confident98 Ų9870.9 Ų70.952%0.52433%0.329SS..Hα-helixtrans-59.2-38.5176.1-66.6-25.1000113Q3 L5 V10 K11Q3-D7 VanDerWaalsContact O-CG 3.22Å; Q3-D7 PolarHBondContact O-N 3Å; L5-D7 VanDerWaalsContact C-N 3.33Å; L5-D7 PolarHBondContact O-N 3.34Å; D7-V10 PolarHBondContact O-N 2.86Å; D7-K11 PolarHBondContact O-N 2.87Å
8R82.3Confident75.4Confident110 Ų11067.8 Ų67.842%0.41532%0.317SS..Hα-helixtrans-68.9-38.5175.8-71.4-179.166.8-157.91.6112.2F4 L5 S6 K11 A12 L122F4-R8 HydrophobicContact CE1-CG 4.47Å; F4-R8 WeakPolarHBondContact O-CG 3.41Å; F4-R8 PolarHBondContact O-N 3.45Å; L5-R8 PolarHBondContact O-N 3.31Å; S6-R8 VanDerWaalsContact C-N 3.3Å; S6-R8 PolarHBondContact O-N 2.97Å; R8-K11 PolarHBondContact O-N 3.38Å; R8-A12 WeakPolarHBondContact O-CB 3.37Å; R8-A12 PolarHBondContact O-N 3.5Å; R8-L122 HydrophobicContact CB-CD2 3.82Å
9V85.4Confident75.8Confident4 Ų464.3 Ų64.32%0.02430%0.301CS..Hα-helixtrans-66.8-40.7175.9177.90000110.4L5 S6 K11 A12 A13 V70 L71 E74 I76 L126L5-V9 WeakPolarHBondContact O-CG2 3.47Å; L5-V9 PolarHBondContact O-N 3Å; S6-V9 PolarHBondContact O-N 2.77Å; S6-V9 VanDerWaalsContact O-N 3.08Å; V9-K11 PolarHBondContact O-N 2.98Å; V9-A12 PolarHBondContact O-N 3.4Å; V9-A13 WeakPolarHBondContact O-CB 3.48Å; V9-A13 PolarHBondContact O-N 3.24Å; V9-V70 HydrophobicContact CG1-CG1 3.93Å; V9-V70 HydrophobicContact CG2-CG1 4.21Å; V9-L71 HydrophobicContact CG1-CD2 3.73Å; V9-E74 HydrophobicContact CB-CG 4.4Å; V9-E74 HydrophobicContact CG1-CB 4.48Å; V9-E74 HydrophobicContact CG1-CG 3.98Å; V9-I76 HydrophobicContact CG1-CD1 3.99Å; V9-L126 HydrophobicContact CG2-CD1 3.62Å
10V85.1Confident76.3Confident20 Ų2061.1 Ų61.112%0.12129%0.286CS..Hα-helixtrans-60.4-45.3173.8173.20000111.1S6 D7 A12 A13 R14 I76 F101S6-V10 WeakPolarHBondContact O-CG2 3.16Å; S6-V10 PolarHBondContact O-N 2.9Å; D7-V10 PolarHBondContact O-N 2.86Å; V10-A12 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 3.24Å; V10-A13 PolarHBondContact O-N 3.02Å; V10-R14 PolarHBondContact O-N 3.01Å; V10-I76 HydrophobicContact CB-CD1 4.48Å; V10-I76 HydrophobicContact CG2-CD1 3.85Å; V10-I76 HydrophobicContact CG2-CG1 4.44Å; V10-F101 HydrophobicContact CB-CD1 4.49Å; V10-F101 HydrophobicContact CG1-CB 4.25Å; V10-F101 HydrophobicContact CG1-CD1 3.97Å; V10-F101 HydrophobicContact CG2-CD1 3.65Å; V10-F101 HydrophobicContact CG2-CE1 3.88Å
11K83.9Confident76.6Confident101 Ų10161.3 Ų61.344%0.43929%0.291SS..Hα-helixtrans-58.6-46.9174.5-170.8-174178.6-167.90111.3D7 R8 V9 A13 R14 S15D7-K11 PolarHBondContact O-N 2.87Å; R8-K11 PolarHBondContact O-N 3.38Å; V9-K11 PolarHBondContact O-N 2.98Å; K11-A13 VanDerWaalsContact C-N 3.35Å; K11-A13 PolarHBondContact O-N 3.03Å; K11-R14 WeakPolarHBondContact O-CB 3.19Å; K11-R14 PolarHBondContact O-N 3.32Å; K11-S15 PolarHBondContact O-N 3.24Å; K11-S15 VanDerWaalsContact O-N 3.14Å; K11-S15 PolarHBondContact O-OG 2.83Å
12A85.4Confident78.5Confident4 Ų456 Ų563%0.03326%0.264CS..Hα-helixtrans-61.4-42.7178.600000112.2R8 V9 V10 R14 S15 V16 A119 L122 L123R8-A12 WeakPolarHBondContact O-CB 3.37Å; R8-A12 PolarHBondContact O-N 3.5Å; V9-A12 PolarHBondContact O-N 3.4Å; V10-A12 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 3.24Å; A12-R14 VanDerWaalsContact C-N 3.31Å; A12-R14 PolarHBondContact O-N 2.82Å; A12-S15 PolarHBondContact O-N 2.92Å; A12-V16 WeakPolarHBondContact O-CG2 3.38Å; A12-V16 PolarHBondContact O-N 2.87Å; A12-A119 HydrophobicContact CB-CB 3.63Å; A12-A119 WeakPolarHBondContact O-CB 3.44Å; A12-L122 HydrophobicContact CB-CD2 4.18Å; A12-L123 HydrophobicContact CB-CG 4.49Å
13A86.9Confident80.1Confident0 Ų054.1 Ų54.10%026%0.256CS..Hα-helixtrans-62.4-38.4176.800000112V9 V10 K11 V16 Y17 L71 I76V9-A13 WeakPolarHBondContact O-CB 3.48Å; V9-A13 PolarHBondContact O-N 3.24Å; V10-A13 PolarHBondContact O-N 3.02Å; K11-A13 VanDerWaalsContact C-N 3.35Å; K11-A13 PolarHBondContact O-N 3.03Å; A13-V16 PolarHBondContact O-N 3.45Å; A13-Y17 VanDerWaalsContact O-CB 3.27Å; A13-Y17 WeakPolarHBondContact O-CB 3.43Å; A13-Y17 PolarHBondContact O-N 2.95Å; A13-L71 HydrophobicContact CB-CD1 4.31Å; A13-L71 HydrophobicContact CB-CD2 3.78Å; A13-I76 HydrophobicContact CB-CD1 3.92Å; A13-I76 HydrophobicContact CB-CG2 3.77Å
14R84.2Confident81.4Confident93 Ų9349.4 Ų49.435%0.35124%0.236SC..Hα-helixtrans-60.7-48.9174.7-171.3-178.3-64.3141.85111.8V10 K11 A12 V16 Y17 S18 F101 G102 L103V10-R14 PolarHBondContact O-N 3.01Å; K11-R14 WeakPolarHBondContact O-CB 3.19Å; K11-R14 PolarHBondContact O-N 3.32Å; A12-R14 VanDerWaalsContact C-N 3.31Å; A12-R14 PolarHBondContact O-N 2.82Å; R14-V16 VanDerWaalsContact C-N 3.34Å; R14-V16 PolarHBondContact O-N 3.26Å; R14-Y17 PolarHBondContact O-N 2.92Å; R14-S18 PolarHBondContact O-N 3.07Å; R14-S18 PolarHBondContact O-OG 3.46Å; R14-F101 PolarHBondContact NH2-O 3.42Å; R14-G102 PolarHBondContact NE-O 3.49Å; R14-G102 PolarHBondContact NH2-O 3.1Å; R14-L103 HydrophobicContact CB-CD2 3.92Å; R14-L103 HydrophobicContact CG-CD2 4.18Å
15S84.6Confident82.3Confident6 Ų647.3 Ų47.34%0.04224%0.236CC..Hα-helixtrans-63.4-40.3179.1-52.90000111.8K11 A12 V19 E115K11-S15 PolarHBondContact O-N 3.24Å; K11-S15 VanDerWaalsContact O-N 3.14Å; K11-S15 PolarHBondContact O-OG 2.83Å; A12-S15 PolarHBondContact O-N 2.92Å; S15-V19 WeakPolarHBondContact O-CG2 3.45Å; S15-V19 PolarHBondContact O-N 3.19Å; S15-E115 PolarHBondContact OG-OE2 3.06Å
16V87.5Confident83Confident0 Ų046.3 Ų46.30%024%0.243CC..Hα-helixtrans-62.6-47.9174.9169.50000111.5A12 A13 R14 V19 M20 W50 W68 L116 A119 L120 L123A12-V16 WeakPolarHBondContact O-CG2 3.38Å; A12-V16 PolarHBondContact O-N 2.87Å; A13-V16 PolarHBondContact O-N 3.45Å; R14-V16 VanDerWaalsContact C-N 3.34Å; R14-V16 PolarHBondContact O-N 3.26Å; V16-V19 PolarHBondContact O-N 2.89Å; V16-M20 HydrophobicContact CG1-CG 4.45Å; V16-M20 HydrophobicContact CG1-SD 3.68Å; V16-M20 VanDerWaalsContact O-CG 3.27Å; V16-M20 WeakPolarHBondContact O-CG 3.27Å; V16-M20 PolarHBondContact O-N 3.4Å; V16-W50 HydrophobicContact CG1-CH2 4Å; V16-W50 HydrophobicContact CG1-CZ3 3.9Å; V16-W68 HydrophobicContact CG1-CH2 3.75Å; V16-W68 HydrophobicContact CG1-CZ3 4.13Å; V16-L116 HydrophobicContact CB-CD1 4.48Å; V16-L116 HydrophobicContact CG2-CD1 3.95Å; V16-A119 HydrophobicContact CG2-CB 4.25Å; V16-L120 HydrophobicContact CG2-CD2 4.34Å; V16-L123 HydrophobicContact CG2-CD1 4.16Å
17Y87.1Confident83.5Confident30 Ų3045.6 Ų45.612%0.11824%0.237CC..Hα-helixtrans-61.9-47.5-179.5-177.2-100.4000112.4A13 R14 V19 M20 V21 I28 F96 D98 L103A13-Y17 VanDerWaalsContact O-CB 3.27Å; A13-Y17 WeakPolarHBondContact O-CB 3.43Å; A13-Y17 PolarHBondContact O-N 2.95Å; R14-Y17 PolarHBondContact O-N 2.92Å; Y17-V19 VanDerWaalsContact C-N 3.35Å; Y17-V19 PolarHBondContact O-N 2.99Å; Y17-M20 WeakPolarHBondContact O-CB 3.33Å; Y17-M20 PolarHBondContact O-N 3.16Å; Y17-M20 VanDerWaalsContact O-N 3.16Å; Y17-V21 HydrophobicContact CD1-CG2 4.21Å; Y17-V21 HydrophobicContact CE1-CG2 3.9Å; Y17-V21 HydrophobicContact CE2-CG2 4.21Å; Y17-V21 WeakPolarHBondContact O-CG2 3.22Å; Y17-V21 PolarHBondContact O-N 3.39Å; Y17-I28 HydrophobicContact CD2-CD1 3.98Å; Y17-I28 HydrophobicContact CE2-CD1 3.44Å; Y17-I28 VanDerWaalsContact CE2-CD1 3.44Å; Y17-F96 HydrophobicContact CD2-CB 4Å; Y17-F96 AromaticContact CD2-CD1 3.88Å; Y17-F96 HydrophobicContact CD2-CD1 3.88Å; Y17-F96 AromaticContact CD2-CD2 3.77Å; Y17-F96 HydrophobicContact CD2-CD2 3.77Å; Y17-F96 HydrophobicContact CD2-CE1 4.28Å; Y17-F96 HydrophobicContact CD2-CE2 4.18Å; Y17-F96 AromaticContact CD2-CG 3.61Å; Y17-F96 HydrophobicContact CD2-CG 3.61Å; Y17-F96 HydrophobicContact CD2-CZ 4.41Å; Y17-F96 HydrophobicContact CE2-CB 3.81Å; Y17-F96 AromaticContact CE2-CD2 3.93Å; Y17-F96 HydrophobicContact CE2-CD2 3.93Å; Y17-F96 AromaticContact CE2-CG 3.84Å; Y17-F96 HydrophobicContact CE2-CG 3.84Å; Y17-D98 PolarHBondContact OH-OD1 3.29Å; Y17-D98 PolarHBondContact OH-OD2 3.01Å; Y17-L103 HydrophobicContact CD1-CB 3.76Å; Y17-L103 HydrophobicContact CD1-CD1 4.07Å; Y17-L103 HydrophobicContact CD1-CD2 4.5Å; Y17-L103 HydrophobicContact CD1-CG 4.32Å; Y17-L103 HydrophobicContact CD2-CD1 4.2Å; Y17-L103 HydrophobicContact CE1-CB 3.91Å; Y17-L103 HydrophobicContact CE1-CD1 4.27Å; Y17-L103 HydrophobicContact CE2-CD1 4.41Å; Y17-L103 HydrophobicContact CG-CB 4.47Å; Y17-L103 HydrophobicContact CG-CD1 4.01Å; Y17-L103 HydrophobicContact CG-CD2 4.49Å
18S83.7Confident83.9Confident15 Ų1542 Ų4211%0.10522%0.217CC..Hα-helixtrans-56.5-47.7179.1-62.40000111.8R14 M20 V21 E22R14-S18 PolarHBondContact O-N 3.07Å; R14-S18 PolarHBondContact O-OG 3.46Å; S18-M20 PolarHBondContact O-N 3.47Å; S18-V21 PolarHBondContact O-N 3.05Å; S18-E22 WeakPolarHBondContact O-CG 3.27Å; S18-E22 PolarHBondContact O-N 3.34Å
19V84Confident84.1Confident2 Ų242.9 Ų42.91%0.01222%0.22CC..Hα-helixtrans-66.6-37.5178.9177.80000111.8S15 V16 Y17 K23 W50 L112 L116S15-V19 WeakPolarHBondContact O-CG2 3.45Å; S15-V19 PolarHBondContact O-N 3.19Å; V16-V19 PolarHBondContact O-N 2.89Å; Y17-V19 VanDerWaalsContact C-N 3.35Å; Y17-V19 PolarHBondContact O-N 2.99Å; V19-K23 HydrophobicContact CG1-CB 4.43Å; V19-K23 HydrophobicContact CG1-CD 3.83Å; V19-K23 HydrophobicContact CG1-CG 4.1Å; V19-K23 WeakPolarHBondContact O-CB 3.27Å; V19-K23 PolarHBondContact O-N 2.61Å; V19-W50 HydrophobicContact CG1-CZ2 4.22Å; V19-L112 HydrophobicContact CG2-CD2 3.75Å; V19-L116 HydrophobicContact CB-CD1 4.36Å; V19-L116 HydrophobicContact CB-CD2 4.33Å; V19-L116 HydrophobicContact CG1-CD2 3.97Å; V19-L116 HydrophobicContact CG2-CB 4.19Å; V19-L116 HydrophobicContact CG2-CD1 4.28Å; V19-L116 HydrophobicContact CG2-CD2 4.15Å; V19-L116 HydrophobicContact CG2-CG 4.44Å
20M85.3Confident84.2Confident0 Ų046.1 Ų46.10%024%0.238CC..Hα-helixtrans-61.8-43.7176.4-75.8169.766.800111.9V16 Y17 S18 N24 L27 L47 W50 W68 F96V16-M20 HydrophobicContact CG1-CG 4.45Å; V16-M20 HydrophobicContact CG1-SD 3.68Å; V16-M20 VanDerWaalsContact O-CG 3.27Å; V16-M20 WeakPolarHBondContact O-CG 3.27Å; V16-M20 PolarHBondContact O-N 3.4Å; Y17-M20 WeakPolarHBondContact O-CB 3.33Å; Y17-M20 PolarHBondContact O-N 3.16Å; Y17-M20 VanDerWaalsContact O-N 3.16Å; S18-M20 PolarHBondContact O-N 3.47Å; M20-N24 CarbonylContact O-C 3.56Å; M20-N24 VanDerWaalsContact O-CA 3.25Å; M20-N24 WeakPolarHBondContact O-CA 3.02Å; M20-N24 WeakPolarHBondContact O-CB 3.3Å; M20-N24 PolarHBondContact O-N 2.88Å; M20-L27 HydrophobicContact CE-CD2 3.42Å; M20-L27 VanDerWaalsContact CE-CD2 3.42Å; M20-L27 HydrophobicContact CE-CG 4.3Å; M20-L27 HydrophobicContact CG-CD2 4.33Å; M20-L47 HydrophobicContact CE-CD2 3.35Å; M20-W50 HydrophobicContact CB-CZ2 4.4Å; M20-W50 HydrophobicContact CG-CD2 3.91Å; M20-W50 HydrophobicContact CG-CE3 4.13Å; M20-W50 HydrophobicContact CG-CH2 3.6Å; M20-W50 HydrophobicContact CG-CZ2 3.35Å; M20-W50 HydrophobicContact CG-CZ3 3.99Å; M20-W50 HydrophobicContact SD-CE3 4.31Å; M20-W50 HydrophobicContact SD-CH2 4.29Å; M20-W50 HydrophobicContact SD-CZ3 4.17Å; M20-W68 HydrophobicContact CE-CH2 4.43Å; M20-W68 HydrophobicContact SD-CH2 3.84Å; M20-F96 HydrophobicContact CE-CE2 4.05Å; M20-F96 HydrophobicContact CE-CZ 4.33Å; M20-F96 HydrophobicContact SD-CZ 4.26Å
21V83.1Confident84.3Confident65 Ų6546.4 Ų46.439%0.39424%0.237SC..Hα-helixtrans-68.1-43.3-179.8173.90000111.2Y17 S18 I28Y17-V21 HydrophobicContact CD1-CG2 4.21Å; Y17-V21 HydrophobicContact CE1-CG2 3.9Å; Y17-V21 HydrophobicContact CE2-CG2 4.21Å; Y17-V21 WeakPolarHBondContact O-CG2 3.22Å; Y17-V21 PolarHBondContact O-N 3.39Å; S18-V21 PolarHBondContact O-N 3.05Å; V21-I28 HydrophobicContact CG2-CD1 3.88Å
22E80.6Confident84.4Confident86 Ų8649.9 Ų49.940%0.40225%0.252SS..Hα-helixtrans-72.8-50.6-178.7-73.5178.9-179.900113.3S18 H105S18-E22 WeakPolarHBondContact O-CG 3.27Å; S18-E22 PolarHBondContact O-N 3.34Å; E22-H105 IonicContact OE1-CE1 2.97Å; E22-H105 PolarHBondContact OE1-CE1 3.12Å; E22-H105 IonicContact OE1-ND1 3.69Å; E22-H105 IonicContact OE1-NE2 3.31Å; E22-H105 PolarHBondContact OE1-NE2 2.8Å
23K80.1Confident84.4Confident102 Ų10252.2 Ų52.244%0.44326%0.262SS..Hα-helixtrans-87.2-21.6-173.3-63.1-167.5178.4-179.50113.1V19 E113V19-K23 HydrophobicContact CG1-CB 4.43Å; V19-K23 HydrophobicContact CG1-CD 3.83Å; V19-K23 HydrophobicContact CG1-CG 4.1Å; V19-K23 WeakPolarHBondContact O-CB 3.27Å; V19-K23 PolarHBondContact O-N 2.61Å; K23-E113 IonicContact NZ-OE1 2.62Å; K23-E113 PolarHBondContact NZ-OE1 2.95Å
24N82.9Confident84Confident60 Ų6059.9 Ų59.932%0.32130%0.297SS..  trans-14156.6-174-66.286.9000113.2M20 G26 L27 W50M20-N24 CarbonylContact O-C 3.56Å; M20-N24 VanDerWaalsContact O-CA 3.25Å; M20-N24 WeakPolarHBondContact O-CA 3.02Å; M20-N24 WeakPolarHBondContact O-CB 3.3Å; M20-N24 PolarHBondContact O-N 2.88Å; N24-G26 PolarHBondContact O-N 3.37Å; N24-L27 HydrophobicContact CB-CB 4.41Å; N24-L27 VanDerWaalsContact O-CB 3.25Å; N24-L27 WeakPolarHBondContact O-CB 3.47Å; N24-L27 PolarHBondContact O-N 3.45Å; N24-W50 PolarHBondContact OD1-NE1 3.3Å; N24-W50 VanDerWaalsContact OD1-NE1 3.16Å
25P76.5Confident83.9Confident93 Ų9364.3 Ų64.360%0.60433%0.327SS*.THydrogen-bonded Turntrans-60.4-20.9-172.823.3-34.5000114.5L27P25-L27 VanDerWaalsContact C-N 3.27Å; P25-L27 PolarHBondContact O-N 2.92Å
26G80.9Confident83.9Confident51 Ų5171.1 Ų71.153%0.52636%0.356SS..THydrogen-bonded Turntrans-75.4-8.6176.600000115.5N24 R29N24-G26 PolarHBondContact O-N 3.37Å; G26-R29 VanDerWaalsContact O-CD 3.27Å; G26-R29 WeakPolarHBondContact O-CD 3.5Å; G26-R29 PolarHBondContact O-NE 2.77Å
27L85.1Confident83.9Confident18 Ų1874.6 Ų74.69%0.09438%0.377CS..SBendtrans-74.5-46-176.7-16465000111.3M20 N24 P25 R31 C42 E46 W50M20-L27 HydrophobicContact CE-CD2 3.42Å; M20-L27 VanDerWaalsContact CE-CD2 3.42Å; M20-L27 HydrophobicContact CE-CG 4.3Å; M20-L27 HydrophobicContact CG-CD2 4.33Å; N24-L27 HydrophobicContact CB-CB 4.41Å; N24-L27 VanDerWaalsContact O-CB 3.25Å; N24-L27 WeakPolarHBondContact O-CB 3.47Å; N24-L27 PolarHBondContact O-N 3.45Å; P25-L27 VanDerWaalsContact C-N 3.27Å; P25-L27 PolarHBondContact O-N 2.92Å; L27-R31 PolarHBondContact O-NH2 2.98Å; L27-C42 PolarHBondContact O-SG 3.31Å; L27-C42 VanDerWaalsContact O-SG 3.4Å; L27-E46 HydrophobicContact CD1-CB 3.65Å; L27-W50 HydrophobicContact CD2-CB 4.02Å; L27-W50 HydrophobicContact CD2-CG 3.92Å
28I86.6Confident83.8Confident22 Ų2274.6 Ų74.611%0.11338%0.378CS..SBendtrans-92.6108175.9-49.1-177.5000108.5Y17 V21 Q40 C42Y17-I28 HydrophobicContact CD2-CD1 3.98Å; Y17-I28 HydrophobicContact CE2-CD1 3.44Å; Y17-I28 VanDerWaalsContact CE2-CD1 3.44Å; V21-I28 HydrophobicContact CG2-CD1 3.88Å; I28-Q40 HydrophobicContact CG2-CB 4.26Å; I28-C42 VanDerWaalsContact CG1-SG 3.54Å
29R87.3Confident84Confident128 Ų12882 Ų8248%0.48340%0.404SS..EExtended strand (participates in β ladder)trans-154.8168.3-177.957.7178.4173.6159.2-0.1112.9G26 R31 C41 E46G26-R29 VanDerWaalsContact O-CD 3.27Å; G26-R29 WeakPolarHBondContact O-CD 3.5Å; G26-R29 PolarHBondContact O-NE 2.77Å; R29-R31 HydrophobicContact CG-CG 4.35Å; R29-R31 PolarHBondContact O-N 2.99Å; R29-C41 PolarHBondContact N-O 3.41Å; R29-C41 PolarHBondContact O-N 3.49Å; R29-E46 IonicContact NH2-OE1 3.56Å
30D88.2Confident84.1Confident73 Ų7387.1 Ų87.139%0.3943%0.428SS..EExtended strand (participates in β ladder)trans-71.2127.3171.9-72.111000109.8T37 H38 R39 Q40D30-T37 HydrophobicContact CB-CG2 4.38Å; D30-H38 CarbonylContact C-O 3.57Å; D30-H38 WeakPolarHBondContact CA-O 3.43Å; D30-R39 WeakPolarHBondContact OD1-CA 3.25Å; D30-R39 WeakPolarHBondContact OD1-CB 3.38Å; D30-R39 IonicContact OD2-NE 3.65Å; D30-Q40 PolarHBondContact OD1-N 3.01Å
31R86.9Confident84.2Confident26 Ų2687.1 Ų87.110%0.09843%0.428CS..EExtended strand (participates in β ladder)trans-121.9136.7-178.9-61.1-176.3-172.3-116-10.3110.8L27 R29 T37 H38 C41 E46 F93L27-R31 PolarHBondContact O-NH2 2.98Å; R29-R31 HydrophobicContact CG-CG 4.35Å; R29-R31 PolarHBondContact O-N 2.99Å; R31-T37 CarbonylContact O-C 3.59Å; R31-T37 WeakPolarHBondContact O-CA 3.25Å; R31-H38 PolarHBondContact N-O 3.38Å; R31-H38 PolarHBondContact O-N 2.98Å; R31-C41 PolarHBondContact NE-O 2.98Å; R31-C41 VanDerWaalsContact NE-O 3.07Å; R31-E46 IonicContact CZ-OE1 3.41Å; R31-E46 IonicContact CZ-OE2 3.61Å; R31-E46 VanDerWaalsContact NH1-CD 3.31Å; R31-E46 IonicContact NH1-OE1 3.37Å; R31-E46 PolarHBondContact NH1-OE1 2.97Å; R31-E46 IonicContact NH1-OE2 2.82Å; R31-E46 PolarHBondContact NH1-OE2 3.14Å; R31-E46 IonicContact NH2-OE1 2.61Å; R31-E46 PolarHBondContact NH2-OE1 2.9Å; R31-E46 IonicContact NH2-OE2 3.51Å; R31-E46 PolarHBondContact NH2-OE2 3.44Å; R31-F93 HydrophobicContact CB-CE1 4.34Å
32K85.3Confident84.6Confident174 Ų17484 Ų8476%0.75741%0.409SS*.EExtended strand (participates in β ladder)trans-101.7125.7175.3-68.4-176.7179.2178.50110K36 T37K32-K36 WeakPolarHBondContact CA-O 3.45Å; K32-T37 HydrophobicContact CG-CG2 4.25Å
33H84.4Confident85.2Confident52 Ų5280 Ų8024%0.24139%0.39CS..EExtended strand (participates in β ladder)trans-146.4130.6177.8-172.8-100.5000110.1L35 K36 F93H33-L35 VanDerWaalsContact C-N 3.3Å; H33-L35 PolarHBondContact O-N 3.48Å; H33-K36 PolarHBondContact N-O 3.49Å; H33-K36 PolarHBondContact O-N 3.34Å; H33-F93 HydrophobicContact CB-CE2 3.52Å; H33-F93 HydrophobicContact CB-CZ 3.95Å; H33-F93 AromaticContact CG-CE2 3.7Å
34H79.6Confident85.8Confident161 Ų16175.1 Ų75.175%0.74537%0.369SS*.THydrogen-bonded Turntrans43.251.4-172.3-64-59000113.7K36H34-K36 PolarHBondContact O-N 3.28Å
35L81.7Confident86.3Confident186 Ų18675.9 Ų75.997%0.97437%0.369SS*.THydrogen-bonded Turntrans63.72.6179.4-53.7168.4000115.5H33H33-L35 VanDerWaalsContact C-N 3.3Å; H33-L35 PolarHBondContact O-N 3.48Å
36K84.5Confident87.1Confident149 Ų14973.7 Ų73.765%0.64835%0.351SS*.EExtended strand (participates in β ladder)trans-99.5138.1172-67.8-174.2178.5-177.40110.4K32 H33 H34K32-K36 WeakPolarHBondContact CA-O 3.45Å; H33-K36 PolarHBondContact N-O 3.49Å; H33-K36 PolarHBondContact O-N 3.34Å; H34-K36 PolarHBondContact O-N 3.28Å
37T86.9Confident87.7Confident73 Ų7371.3 Ų71.345%0.44833%0.326SS..EExtended strand (participates in β ladder)trans-98.4115.4173.8-53.70000109.1D30 R31 K32D30-T37 HydrophobicContact CB-CG2 4.38Å; R31-T37 CarbonylContact O-C 3.59Å; R31-T37 WeakPolarHBondContact O-CA 3.25Å; K32-T37 HydrophobicContact CG-CG2 4.25Å
38H86.8Confident88Confident31 Ų3170.4 Ų70.414%0.14432%0.321CS..EExtended strand (participates in β ladder)trans-94.4112.4173.5-60-61.4000108.6D30 R31 C41 V80 F93D30-H38 CarbonylContact C-O 3.57Å; D30-H38 WeakPolarHBondContact CA-O 3.43Å; R31-H38 PolarHBondContact N-O 3.38Å; R31-H38 PolarHBondContact O-N 2.98Å; H38-C41 PolarHBondContact O-SG 2.82Å; H38-C41 VanDerWaalsContact O-SG 3.34Å; H38-V80 VanDerWaalsContact ND1-CG1 3.27Å; H38-V80 WeakPolarHBondContact ND1-CG1 3.43Å; H38-F93 AromaticContact CD2-CD2 3.66Å; H38-F93 AromaticContact CD2-CE2 4Å
39R86.9Confident88.2Confident171 Ų17171.8 Ų71.865%0.64533%0.329SS*.EExtended strand (participates in β ladder)trans-80.4143.7-176.3-55.4-175.8104.2164.24.3112D30 C41 R95D30-R39 WeakPolarHBondContact OD1-CA 3.25Å; D30-R39 WeakPolarHBondContact OD1-CB 3.38Å; D30-R39 IonicContact OD2-NE 3.65Å; R39-C41 PolarHBondContact O-N 3Å; R39-R95 PolarHBondContact O-NE 3.2Å; R39-R95 PolarHBondContact O-NH2 3.49Å
40Q85.8Confident88.4Confident109 Ų10966 Ų6651%0.50931%0.307SS..EExtended strand (participates in β ladder)trans45.161.9173.7-62.8-63.4-43.500112.7I28 D30I28-Q40 HydrophobicContact CG2-CB 4.26Å; D30-Q40 PolarHBondContact OD1-N 3.01Å
41C88.4Confident88.5Confident0 Ų062.7 Ų62.70%029%0.289CS..EExtended strand (participates in β ladder)trans-134.2156.1-175.668.40000113.1R29 R31 H38 R39 V80 F93 Y94R29-C41 PolarHBondContact N-O 3.41Å; R29-C41 PolarHBondContact O-N 3.49Å; R31-C41 PolarHBondContact NE-O 2.98Å; R31-C41 VanDerWaalsContact NE-O 3.07Å; H38-C41 PolarHBondContact O-SG 2.82Å; H38-C41 VanDerWaalsContact O-SG 3.34Å; R39-C41 PolarHBondContact O-N 3Å; C41-V80 HydrophobicContact CB-CG2 4.47Å; C41-F93 HydrophobicContact CB-CB 4.33Å; C41-Y94 CarbonylContact C-O 3.59Å; C41-Y94 WeakPolarHBondContact CA-O 3.48Å; C41-Y94 VanDerWaalsContact CB-O 3.3Å; C41-Y94 WeakPolarHBondContact CB-O 3.28Å
42C91.5Very high88.5Confident0 Ų064.5 Ų64.50%030%0.299CS..EExtended strand (participates in β ladder)trans-112.3151.3175-56.80000110.1L27 I28 L47 F93 Y94L27-C42 PolarHBondContact O-SG 3.31Å; L27-C42 VanDerWaalsContact O-SG 3.4Å; I28-C42 VanDerWaalsContact CG1-SG 3.54Å; C42-L47 HydrophobicContact CB-CD1 3.96Å; C42-L47 HydrophobicContact CB-CD2 3.74Å; C42-L47 HydrophobicContact CB-CG 3.69Å; C42-F93 CarbonylContact O-C 3.53Å; C42-F93 VanDerWaalsContact O-CA 3.27Å; C42-F93 WeakPolarHBondContact O-CA 2.77Å; C42-Y94 PolarHBondContact N-O 3.24Å; C42-Y94 PolarHBondContact O-N 2.87Å
43S93.5Very high88.5Confident0 Ų064.5 Ų64.50%030%0.299CS..EExtended strand (participates in β ladder)trans-80.1146.9165.167.30000110.2K45 E46 L47 D90 Q92S43-K45 PolarHBondContact O-N 3.46Å; S43-E46 PolarHBondContact O-N 3.03Å; S43-E46 VanDerWaalsContact OG-CB 3.32Å; S43-E46 WeakPolarHBondContact OG-CB 3.41Å; S43-E46 WeakPolarHBondContact OG-CG 3.34Å; S43-E46 PolarHBondContact OG-N 2.87Å; S43-L47 WeakPolarHBondContact O-CG 3.34Å; S43-L47 PolarHBondContact O-N 3.27Å; S43-L47 VanDerWaalsContact O-N 3.13Å; S43-D90 WeakPolarHBondContact CB-O 3.43Å; S43-Q92 CarbonylContact C-O 3.57Å; S43-Q92 WeakPolarHBondContact CA-O 3.27Å
44G92.1Very high88.4Confident0 Ų065.2 Ų65.20%030%0.303CS..Hα-helixtrans-57.5-37.9177.400000112.5L47 V48 F86 K89 Q92G44-L47 PolarHBondContact O-N 3.23Å; G44-V48 WeakPolarHBondContact O-CG2 3.37Å; G44-V48 PolarHBondContact O-N 3.36Å; G44-V48 VanDerWaalsContact O-N 3.11Å; G44-F86 WeakPolarHBondContact O-CZ 3.25Å; G44-K89 PolarHBondContact N-O 3.04Å; G44-Q92 PolarHBondContact N-O 3.37Å
45K93.4Very high88Confident76 Ų7658.1 Ų58.133%0.3327%0.272SS..Hα-helixtrans-64.3-45.1176.8-172.6-167.5177177.70113.3S43 L47 V48 D49 D88 K89 D90S43-K45 PolarHBondContact O-N 3.46Å; K45-L47 VanDerWaalsContact C-N 3.29Å; K45-L47 PolarHBondContact O-N 3.46Å; K45-V48 PolarHBondContact O-N 2.91Å; K45-D49 WeakPolarHBondContact O-CB 3.19Å; K45-D49 PolarHBondContact O-N 3.13Å; K45-D88 VanDerWaalsContact CA-OD1 3.28Å; K45-D88 WeakPolarHBondContact CA-OD1 3.49Å; K45-K89 PolarHBondContact N-O 3.31Å; K45-D90 WeakPolarHBondContact CD-OD1 3.32Å; K45-D90 WeakPolarHBondContact CD-OD2 3.5Å; K45-D90 IonicContact NZ-OD2 3.05Å; K45-D90 PolarHBondContact NZ-OD2 3.46Å
46E92.9Very high87.1Confident48 Ų4858.5 Ų58.522%0.22427%0.268CS..Hα-helixtrans-66.9-33179.8-73176.5-158.800111.9L27 R29 R31 S43 D49 W50L27-E46 HydrophobicContact CD1-CB 3.65Å; R29-E46 IonicContact NH2-OE1 3.56Å; R31-E46 IonicContact CZ-OE1 3.41Å; R31-E46 IonicContact CZ-OE2 3.61Å; R31-E46 VanDerWaalsContact NH1-CD 3.31Å; R31-E46 IonicContact NH1-OE1 3.37Å; R31-E46 PolarHBondContact NH1-OE1 2.97Å; R31-E46 IonicContact NH1-OE2 2.82Å; R31-E46 PolarHBondContact NH1-OE2 3.14Å; R31-E46 IonicContact NH2-OE1 2.61Å; R31-E46 PolarHBondContact NH2-OE1 2.9Å; R31-E46 IonicContact NH2-OE2 3.51Å; R31-E46 PolarHBondContact NH2-OE2 3.44Å; S43-E46 PolarHBondContact O-N 3.03Å; S43-E46 VanDerWaalsContact OG-CB 3.32Å; S43-E46 WeakPolarHBondContact OG-CB 3.41Å; S43-E46 WeakPolarHBondContact OG-CG 3.34Å; S43-E46 PolarHBondContact OG-N 2.87Å; E46-D49 PolarHBondContact O-N 3.42Å; E46-W50 WeakPolarHBondContact O-CB 3.45Å; E46-W50 PolarHBondContact O-N 3.32Å
47L93.1Very high85.8Confident0 Ų055.1 Ų55.10%026%0.262CS..Hα-helixtrans-63.2-43.9172.5-71.3174.9000111.9M20 C42 S43 G44 K45 W50 L51 W68 L77 F86 Y94M20-L47 HydrophobicContact CE-CD2 3.35Å; C42-L47 HydrophobicContact CB-CD1 3.96Å; C42-L47 HydrophobicContact CB-CD2 3.74Å; C42-L47 HydrophobicContact CB-CG 3.69Å; S43-L47 WeakPolarHBondContact O-CG 3.34Å; S43-L47 PolarHBondContact O-N 3.27Å; S43-L47 VanDerWaalsContact O-N 3.13Å; G44-L47 PolarHBondContact O-N 3.23Å; K45-L47 VanDerWaalsContact C-N 3.29Å; K45-L47 PolarHBondContact O-N 3.46Å; L47-W50 PolarHBondContact O-N 3.02Å; L47-L51 WeakPolarHBondContact O-CB 3.34Å; L47-L51 PolarHBondContact O-N 3.34Å; L47-W68 HydrophobicContact CB-CD2 4.36Å; L47-W68 HydrophobicContact CB-CZ2 4.01Å; L47-W68 HydrophobicContact CD2-CH2 4.11Å; L47-W68 HydrophobicContact CD2-CZ2 4.1Å; L47-W68 PolarHBondContact O-NE1 3.08Å; L47-W68 VanDerWaalsContact O-NE1 3.11Å; L47-L77 HydrophobicContact CD1-CD2 4.12Å; L47-F86 HydrophobicContact CB-CZ 4.24Å; L47-F86 HydrophobicContact CD1-CE2 3.92Å; L47-F86 HydrophobicContact CD1-CZ 4.31Å; L47-Y94 HydrophobicContact CD1-CD2 4.33Å; L47-Y94 HydrophobicContact CD1-CG 4.49Å
48V92.8Very high85.2Confident0 Ų052.1 Ų52.10%024%0.244CC..Hα-helixtrans-64.5-45.7175.3170.40000110.7G44 K45 W50 L51 M52 R61 A64 F86 D88G44-V48 WeakPolarHBondContact O-CG2 3.37Å; G44-V48 PolarHBondContact O-N 3.36Å; G44-V48 VanDerWaalsContact O-N 3.11Å; K45-V48 PolarHBondContact O-N 2.91Å; V48-W50 VanDerWaalsContact C-N 3.3Å; V48-W50 PolarHBondContact O-N 3.28Å; V48-L51 PolarHBondContact O-N 2.92Å; V48-M52 HydrophobicContact CG1-CG 4.24Å; V48-M52 WeakPolarHBondContact O-CB 3.45Å; V48-M52 VanDerWaalsContact O-CG 3.24Å; V48-M52 WeakPolarHBondContact O-CG 3.48Å; V48-M52 PolarHBondContact O-N 2.88Å; V48-R61 HydrophobicContact CG1-CB 3.99Å; V48-R61 HydrophobicContact CG1-CG 4.16Å; V48-A64 HydrophobicContact CG1-CB 3.9Å; V48-A64 HydrophobicContact CG2-CB 4.43Å; V48-F86 HydrophobicContact CG2-CE1 3.7Å; V48-F86 HydrophobicContact CG2-CZ 4.09Å; V48-D88 HydrophobicContact CG2-CB 4.09Å
49D90.9Very high84.3Confident50 Ų5054.2 Ų54.227%0.26725%0.253SS..Hα-helixtrans-61.4-39.1179-69.4-12.7000112K45 E46 K53 R61K45-D49 WeakPolarHBondContact O-CB 3.19Å; K45-D49 PolarHBondContact O-N 3.13Å; E46-D49 PolarHBondContact O-N 3.42Å; D49-K53 WeakPolarHBondContact O-CG 3.37Å; D49-K53 PolarHBondContact O-N 3.04Å; D49-R61 IonicContact OD1-CZ 3.25Å; D49-R61 VanDerWaalsContact OD1-CZ 3.29Å; D49-R61 IonicContact OD1-NH1 3.45Å; D49-R61 PolarHBondContact OD1-NH1 2.94Å; D49-R61 IonicContact OD1-NH2 3.88Å; D49-R61 PolarHBondContact OD1-NH2 2.92Å
50W91.4Very high84.1Confident8 Ų847.9 Ų47.93%0.0324%0.235CC..Hα-helixtrans-63.8-49174.4-179.688.5000110.9V16 V19 M20 N24 L27 E46 L47 V48 M52 K53 Q54 W68 L116V16-W50 HydrophobicContact CG1-CH2 4Å; V16-W50 HydrophobicContact CG1-CZ3 3.9Å; V19-W50 HydrophobicContact CG1-CZ2 4.22Å; M20-W50 HydrophobicContact CB-CZ2 4.4Å; M20-W50 HydrophobicContact CG-CD2 3.91Å; M20-W50 HydrophobicContact CG-CE3 4.13Å; M20-W50 HydrophobicContact CG-CH2 3.6Å; M20-W50 HydrophobicContact CG-CZ2 3.35Å; M20-W50 HydrophobicContact CG-CZ3 3.99Å; M20-W50 HydrophobicContact SD-CE3 4.31Å; M20-W50 HydrophobicContact SD-CH2 4.29Å; M20-W50 HydrophobicContact SD-CZ3 4.17Å; N24-W50 PolarHBondContact OD1-NE1 3.3Å; N24-W50 VanDerWaalsContact OD1-NE1 3.16Å; L27-W50 HydrophobicContact CD2-CB 4.02Å; L27-W50 HydrophobicContact CD2-CG 3.92Å; E46-W50 WeakPolarHBondContact O-CB 3.45Å; E46-W50 PolarHBondContact O-N 3.32Å; L47-W50 PolarHBondContact O-N 3.02Å; V48-W50 VanDerWaalsContact C-N 3.3Å; V48-W50 PolarHBondContact O-N 3.28Å; W50-M52 VanDerWaalsContact C-N 3.34Å; W50-M52 PolarHBondContact O-N 3.28Å; W50-K53 WeakPolarHBondContact O-CB 3.34Å; W50-K53 PolarHBondContact O-N 3.24Å; W50-Q54 HydrophobicContact CD2-CG 3.88Å; W50-Q54 HydrophobicContact CE3-CG 4.15Å; W50-Q54 HydrophobicContact CH2-CG 3.94Å; W50-Q54 HydrophobicContact CZ2-CG 3.63Å; W50-Q54 HydrophobicContact CZ3-CG 4.18Å; W50-Q54 WeakPolarHBondContact O-CG 3.47Å; W50-Q54 PolarHBondContact O-N 3.42Å; W50-Q54 VanDerWaalsContact O-N 3.07Å; W50-W68 HydrophobicContact CE3-CH2 4.41Å; W50-W68 HydrophobicContact CE3-CZ2 4.06Å; W50-W68 HydrophobicContact CZ3-CH2 4.34Å; W50-W68 HydrophobicContact CZ3-CZ2 4.32Å; W50-L116 HydrophobicContact CH2-CD1 4.2Å
51L89.6Confident84.3Confident2 Ų247 Ų471%0.0123%0.227CC..Hα-helixtrans-62.9-40.3-177.9-164.768.1000112.4L47 V48 K53 Q54 S55 L58 A64 M67 W68 L120L47-L51 WeakPolarHBondContact O-CB 3.34Å; L47-L51 PolarHBondContact O-N 3.34Å; V48-L51 PolarHBondContact O-N 2.92Å; L51-K53 PolarHBondContact O-N 3.38Å; L51-Q54 PolarHBondContact O-N 3.46Å; L51-S55 WeakPolarHBondContact O-CB 3.27Å; L51-S55 PolarHBondContact O-N 3.36Å; L51-L58 HydrophobicContact CB-CD1 4.42Å; L51-L58 HydrophobicContact CD2-CD1 3.94Å; L51-L58 HydrophobicContact CG-CD1 3.7Å; L51-A64 HydrophobicContact CD2-CB 3.88Å; L51-M67 HydrophobicContact CD1-CE 4.14Å; L51-M67 HydrophobicContact CD2-CB 3.88Å; L51-M67 HydrophobicContact CD2-CE 3.98Å; L51-M67 HydrophobicContact CD2-CG 4.4Å; L51-M67 HydrophobicContact CD2-SD 3.76Å; L51-M67 HydrophobicContact CG-CE 4.42Å; L51-W68 HydrophobicContact CB-CZ2 4.24Å; L51-W68 HydrophobicContact CD1-CZ2 4.33Å; L51-L120 HydrophobicContact CD1-CD2 3.33Å
52M86.5Confident84.2Confident64 Ų6448.6 Ų48.632%0.31524%0.239SC..Hα-helixtrans-63-29.1175-70.1-66-64.500112.7V48 W50 L58 A64V48-M52 HydrophobicContact CG1-CG 4.24Å; V48-M52 WeakPolarHBondContact O-CB 3.45Å; V48-M52 VanDerWaalsContact O-CG 3.24Å; V48-M52 WeakPolarHBondContact O-CG 3.48Å; V48-M52 PolarHBondContact O-N 2.88Å; W50-M52 VanDerWaalsContact C-N 3.34Å; W50-M52 PolarHBondContact O-N 3.28Å; M52-L58 HydrophobicContact CE-CB 4.4Å; M52-L58 HydrophobicContact SD-CB 3.66Å; M52-L58 HydrophobicContact SD-CD1 4.09Å; M52-L58 HydrophobicContact SD-CG 4.5Å; M52-A64 HydrophobicContact CG-CB 4.46Å; M52-A64 HydrophobicContact SD-CB 4.27Å
53K86Confident83.8Confident174 Ų17449.3 Ų49.376%0.75724%0.242SC*.Hα-helixtrans-79-33.1175.1-72.9173.2-176.1177.80112.9D49 W50 L51D49-K53 WeakPolarHBondContact O-CG 3.37Å; D49-K53 PolarHBondContact O-N 3.04Å; W50-K53 WeakPolarHBondContact O-CB 3.34Å; W50-K53 PolarHBondContact O-N 3.24Å; L51-K53 PolarHBondContact O-N 3.38Å
54Q81.5Confident83.7Confident68 Ų6849.3 Ų49.332%0.31824%0.242SC..Hα-helixtrans-81.1-28.9-178.9-61.6-55.1-32.300113.1W50 L51 L120W50-Q54 HydrophobicContact CD2-CG 3.88Å; W50-Q54 HydrophobicContact CE3-CG 4.15Å; W50-Q54 HydrophobicContact CH2-CG 3.94Å; W50-Q54 HydrophobicContact CZ2-CG 3.63Å; W50-Q54 HydrophobicContact CZ3-CG 4.18Å; W50-Q54 WeakPolarHBondContact O-CG 3.47Å; W50-Q54 PolarHBondContact O-N 3.42Å; W50-Q54 VanDerWaalsContact O-N 3.07Å; L51-Q54 PolarHBondContact O-N 3.46Å; Q54-L120 HydrophobicContact CB-CD1 4.31Å
55S72.6Confident83.6Confident12 Ų1249.6 Ų49.68%0.08425%0.245CC..  trans-115104-172.8-171.70000112.3L51 C57 L58L51-S55 WeakPolarHBondContact O-CB 3.27Å; L51-S55 PolarHBondContact O-N 3.36Å; S55-C57 PolarHBondContact O-N 3.13Å; S55-C57 VanDerWaalsContact O-N 3.17Å; S55-C57 PolarHBondContact OG-SG 3.3Å; S55-L58 PolarHBondContact O-N 3.42Å
56E62.2Low83.5Confident194 Ų19446 Ų4691%0.90723%0.229SC*.THydrogen-bonded Turntrans-64.1-16.7175.5-63.9-175.2168.600113.4
57C58Low83.5Confident77 Ų7743.8 Ų43.852%0.5222%0.219SC..THydrogen-bonded Turntrans-87.2-11.4-177.570.80000114S55S55-C57 PolarHBondContact O-N 3.13Å; S55-C57 VanDerWaalsContact O-N 3.17Å; S55-C57 PolarHBondContact OG-SG 3.3Å
58L73.6Confident83.5Confident11 Ų1144 Ų446%0.05822%0.219CC..  trans-74.7131.6178-72.8177.6000111.7L51 M52 S55 Q63 A64 M67L51-L58 HydrophobicContact CB-CD1 4.42Å; L51-L58 HydrophobicContact CD2-CD1 3.94Å; L51-L58 HydrophobicContact CG-CD1 3.7Å; M52-L58 HydrophobicContact CE-CB 4.4Å; M52-L58 HydrophobicContact SD-CB 3.66Å; M52-L58 HydrophobicContact SD-CD1 4.09Å; M52-L58 HydrophobicContact SD-CG 4.5Å; S55-L58 PolarHBondContact O-N 3.42Å; L58-Q63 HydrophobicContact CD2-CB 4.05Å; L58-Q63 HydrophobicContact CD2-CG 3.55Å; L58-A64 HydrophobicContact CD1-CB 4.14Å; L58-M67 HydrophobicContact CD1-SD 4.11Å; L58-M67 HydrophobicContact CD2-SD 3.66Å; L58-M67 HydrophobicContact CG-SD 4.35Å
59Q68.6Low83.6Confident74 Ų7444 Ų4435%0.34622%0.219SC..  trans-108.7-22.6-176.9-56.7-149.9-12.600113.7L712Q59-L712 HydrophobicContact CG-CD1 4.23Å; Q59-L712 PolarHBondContact NE2-O 2.82Å
60S82.8Confident83.6Confident38 Ų3842.1 Ų42.127%0.26621%0.21SC..  trans-140.8154.1-179.371.30000111.8S62 Q63 A64S60-S62 WeakPolarHBondContact CB-OG 3.27Å; S60-S62 PolarHBondContact O-N 3.41Å; S60-S62 PolarHBondContact OG-OG 2.9Å; S60-Q63 PolarHBondContact O-N 3.44Å; S60-Q63 WeakPolarHBondContact OG-CB 3.42Å; S60-Q63 PolarHBondContact OG-N 3.16Å; S60-Q63 VanDerWaalsContact OG-N 3.09Å; S60-A64 PolarHBondContact O-N 2.76Å
61R88.8Confident83.6Confident90 Ų9041.7 Ų41.734%0.3421%0.208SC..Hα-helixtrans-64.8-29.9172-60.2-176.86981.84.2111.9V48 D49 A64 A65 D88V48-R61 HydrophobicContact CG1-CB 3.99Å; V48-R61 HydrophobicContact CG1-CG 4.16Å; D49-R61 IonicContact OD1-CZ 3.25Å; D49-R61 VanDerWaalsContact OD1-CZ 3.29Å; D49-R61 IonicContact OD1-NH1 3.45Å; D49-R61 PolarHBondContact OD1-NH1 2.94Å; D49-R61 IonicContact OD1-NH2 3.88Å; D49-R61 PolarHBondContact OD1-NH2 2.92Å; R61-A64 WeakPolarHBondContact O-CB 3.29Å; R61-A64 PolarHBondContact O-N 3.32Å; R61-A65 PolarHBondContact O-N 3.44Å; R61-D88 IonicContact CZ-OD1 3.88Å; R61-D88 IonicContact CZ-OD2 3.49Å; R61-D88 IonicContact NE-OD1 2.7Å; R61-D88 IonicContact NE-OD2 2.64Å; R61-D88 PolarHBondContact NE-OD2 3.06Å; R61-D88 IonicContact NH2-OD1 3.47Å; R61-D88 PolarHBondContact NH2-OD1 3.13Å; R61-D88 IonicContact NH2-OD2 3.26Å; R61-D88 PolarHBondContact NH2-OD2 3.31Å
62S86Confident83.7Confident35 Ų3542.4 Ų42.425%0.24521%0.212CC..Hα-helixtrans-64.2-38.6174.354.20000112.4S60 A65 G66 L131S60-S62 WeakPolarHBondContact CB-OG 3.27Å; S60-S62 PolarHBondContact O-N 3.41Å; S60-S62 PolarHBondContact OG-OG 2.9Å; S62-A65 WeakPolarHBondContact O-CB 3.32Å; S62-A65 PolarHBondContact O-N 3.43Å; S62-G66 PolarHBondContact O-N 2.94Å; S62-L131 WeakPolarHBondContact O-CD1 3.48Å; S62-L131 WeakPolarHBondContact O-CD2 3.5Å
63Q84.4Confident83.7Confident14 Ų1442.5 Ų42.57%0.06522%0.215CC..Hα-helixtrans-64.4-42.7174.4-171.1-177.64.100111.3L58 S60 G66 M67L58-Q63 HydrophobicContact CD2-CB 4.05Å; L58-Q63 HydrophobicContact CD2-CG 3.55Å; S60-Q63 PolarHBondContact O-N 3.44Å; S60-Q63 WeakPolarHBondContact OG-CB 3.42Å; S60-Q63 PolarHBondContact OG-N 3.16Å; S60-Q63 VanDerWaalsContact OG-N 3.09Å; Q63-G66 PolarHBondContact O-N 3.28Å; Q63-M67 PolarHBondContact O-N 3.28Å; Q63-M67 VanDerWaalsContact O-N 3.1Å
64A89.8Confident83.7Confident0 Ų038.1 Ų38.10%020%0.197CC..Hα-helixtrans-61.3-42.917400000112.1V48 L51 M52 L58 S60 R61 G66 M67 W68V48-A64 HydrophobicContact CG1-CB 3.9Å; V48-A64 HydrophobicContact CG2-CB 4.43Å; L51-A64 HydrophobicContact CD2-CB 3.88Å; M52-A64 HydrophobicContact CG-CB 4.46Å; M52-A64 HydrophobicContact SD-CB 4.27Å; L58-A64 HydrophobicContact CD1-CB 4.14Å; S60-A64 PolarHBondContact O-N 2.76Å; R61-A64 WeakPolarHBondContact O-CB 3.29Å; R61-A64 PolarHBondContact O-N 3.32Å; A64-G66 VanDerWaalsContact C-N 3.29Å; A64-G66 PolarHBondContact O-N 3.4Å; A64-M67 WeakPolarHBondContact O-CB 3.44Å; A64-M67 PolarHBondContact O-N 3.18Å; A64-W68 PolarHBondContact O-N 3.29Å; A64-W68 VanDerWaalsContact O-N 3.1Å
65A91.7Very high83.9Confident7 Ų736 Ų366%0.05819%0.194CC..Hα-helixtrans-60-39.4174.500000111.9R61 S62 W68 Q69 F86R61-A65 PolarHBondContact O-N 3.44Å; S62-A65 WeakPolarHBondContact O-CB 3.32Å; S62-A65 PolarHBondContact O-N 3.43Å; A65-W68 PolarHBondContact O-N 3.46Å; A65-Q69 WeakPolarHBondContact O-CB 3.18Å; A65-Q69 PolarHBondContact O-N 3.03Å; A65-F86 HydrophobicContact CB-CD1 3.89Å; A65-F86 HydrophobicContact CB-CE1 4.23Å
66G90.3Very high84.7Confident0 Ų035.5 Ų35.50%019%0.19CC..Hα-helixtrans-59.2-44.6172.600000113.5S62 Q63 A64 W68 Q69 V70 G127S62-G66 PolarHBondContact O-N 2.94Å; Q63-G66 PolarHBondContact O-N 3.28Å; A64-G66 VanDerWaalsContact C-N 3.29Å; A64-G66 PolarHBondContact O-N 3.4Å; G66-W68 VanDerWaalsContact C-N 3.33Å; G66-W68 PolarHBondContact O-N 2.64Å; G66-Q69 WeakPolarHBondContact O-CB 3.5Å; G66-Q69 PolarHBondContact O-N 3.02Å; G66-V70 PolarHBondContact O-N 3.22Å; G66-G127 CarbonylContact C-O 3.53Å; G66-G127 VanDerWaalsContact CA-O 3.25Å; G66-G127 WeakPolarHBondContact CA-O 3.34Å
67M92.2Very high86Confident2 Ų226.3 Ų26.31%0.0115%0.147CC..Hα-helixtrans-61.7-40.6176.3-66.6176.763.900112.2L51 L58 Q63 A64 V70 L120 L123L51-M67 HydrophobicContact CD1-CE 4.14Å; L51-M67 HydrophobicContact CD2-CB 3.88Å; L51-M67 HydrophobicContact CD2-CE 3.98Å; L51-M67 HydrophobicContact CD2-CG 4.4Å; L51-M67 HydrophobicContact CD2-SD 3.76Å; L51-M67 HydrophobicContact CG-CE 4.42Å; L58-M67 HydrophobicContact CD1-SD 4.11Å; L58-M67 HydrophobicContact CD2-SD 3.66Å; L58-M67 HydrophobicContact CG-SD 4.35Å; Q63-M67 PolarHBondContact O-N 3.28Å; Q63-M67 VanDerWaalsContact O-N 3.1Å; A64-M67 WeakPolarHBondContact O-CB 3.44Å; A64-M67 PolarHBondContact O-N 3.18Å; M67-V70 WeakPolarHBondContact O-CB 3.15Å; M67-V70 PolarHBondContact O-N 2.84Å; M67-L120 HydrophobicContact CE-CB 4.44Å; M67-L120 HydrophobicContact CE-CD2 3.93Å; M67-L120 WeakPolarHBondContact CE-O 3.36Å; M67-L123 HydrophobicContact CB-CB 4.21Å; M67-L123 HydrophobicContact CE-CB 3.65Å; M67-L123 HydrophobicContact CG-CB 4.31Å; M67-L123 WeakPolarHBondContact CG-O 3.49Å
68W94.3Very high87.6Confident3 Ų324.6 Ų24.61%0.01113%0.134CC..Hα-helixtrans-69.9-35.1175-70.3120.5000112.6V16 M20 L47 W50 L51 A64 A65 G66 V70 L71 V72 L77 F86 F96V16-W68 HydrophobicContact CG1-CH2 3.75Å; V16-W68 HydrophobicContact CG1-CZ3 4.13Å; M20-W68 HydrophobicContact CE-CH2 4.43Å; M20-W68 HydrophobicContact SD-CH2 3.84Å; L47-W68 HydrophobicContact CB-CD2 4.36Å; L47-W68 HydrophobicContact CB-CZ2 4.01Å; L47-W68 HydrophobicContact CD2-CH2 4.11Å; L47-W68 HydrophobicContact CD2-CZ2 4.1Å; L47-W68 PolarHBondContact O-NE1 3.08Å; L47-W68 VanDerWaalsContact O-NE1 3.11Å; W50-W68 HydrophobicContact CE3-CH2 4.41Å; W50-W68 HydrophobicContact CE3-CZ2 4.06Å; W50-W68 HydrophobicContact CZ3-CH2 4.34Å; W50-W68 HydrophobicContact CZ3-CZ2 4.32Å; L51-W68 HydrophobicContact CB-CZ2 4.24Å; L51-W68 HydrophobicContact CD1-CZ2 4.33Å; A64-W68 PolarHBondContact O-N 3.29Å; A64-W68 VanDerWaalsContact O-N 3.1Å; A65-W68 PolarHBondContact O-N 3.46Å; G66-W68 VanDerWaalsContact C-N 3.33Å; G66-W68 PolarHBondContact O-N 2.64Å; W68-V70 PolarHBondContact O-N 2.87Å; W68-L71 HydrophobicContact CE3-CD1 3.79Å; W68-L71 HydrophobicContact CZ3-CD1 3.71Å; W68-L71 PolarHBondContact O-N 3.06Å; W68-V72 PolarHBondContact O-N 3.16Å; W68-V72 VanDerWaalsContact O-N 3.16Å; W68-L77 HydrophobicContact CE3-CD2 3.92Å; W68-F86 HydrophobicContact CB-CD1 4.02Å; W68-F86 HydrophobicContact CB-CD2 3.67Å; W68-F86 HydrophobicContact CB-CE1 4Å; W68-F86 HydrophobicContact CB-CE2 3.64Å; W68-F86 HydrophobicContact CB-CG 3.86Å; W68-F86 HydrophobicContact CB-CZ 3.8Å; W68-F86 AromaticContact CD1-CZ 3.77Å; W68-F86 HydrophobicContact CG-CD2 4.5Å; W68-F86 HydrophobicContact CG-CE1 4.29Å; W68-F86 AromaticContact CG-CE2 3.98Å; W68-F86 HydrophobicContact CG-CE2 3.98Å; W68-F86 AromaticContact CG-CZ 3.86Å; W68-F86 HydrophobicContact CG-CZ 3.86Å; W68-F96 HydrophobicContact CZ3-CZ 4.02Å
69Q94.1Very high88.4Confident0 Ų024.3 Ų24.30%013%0.132CC..Hα-helixtrans-58.5-34.5175.9-176.962.24000112A65 G66 L71 V72 D73 L84 F86 A130 M134A65-Q69 WeakPolarHBondContact O-CB 3.18Å; A65-Q69 PolarHBondContact O-N 3.03Å; G66-Q69 WeakPolarHBondContact O-CB 3.5Å; G66-Q69 PolarHBondContact O-N 3.02Å; Q69-L71 VanDerWaalsContact C-N 3.26Å; Q69-L71 PolarHBondContact O-N 3.38Å; Q69-V72 PolarHBondContact O-N 2.82Å; Q69-D73 VanDerWaalsContact NE2-CG 3.3Å; Q69-D73 PolarHBondContact NE2-OD1 3.02Å; Q69-D73 PolarHBondContact NE2-OD2 3.34Å; Q69-D73 PolarHBondContact O-N 3.08Å; Q69-L84 PolarHBondContact NE2-O 3.37Å; Q69-F86 HydrophobicContact CB-CB 4.37Å; Q69-A130 HydrophobicContact CB-CB 4Å; Q69-A130 HydrophobicContact CG-CB 3.86Å; Q69-M134 HydrophobicContact CB-SD 4.41Å; Q69-M134 HydrophobicContact CG-CB 4.01Å; Q69-M134 HydrophobicContact CG-CG 4.49Å; Q69-M134 HydrophobicContact CG-SD 4.25Å; Q69-M134 PolarHBondContact OE1-SD 2.88Å
70V91.3Very high89.4Confident11 Ų1122.9 Ų22.97%0.06713%0.129CC..Hα-helixtrans-55.6-43.6173.8178.60000111.2V9 G66 M67 W68 V72 E74 L123 L126 A130V9-V70 HydrophobicContact CG1-CG1 3.93Å; V9-V70 HydrophobicContact CG2-CG1 4.21Å; G66-V70 PolarHBondContact O-N 3.22Å; M67-V70 WeakPolarHBondContact O-CB 3.15Å; M67-V70 PolarHBondContact O-N 2.84Å; W68-V70 PolarHBondContact O-N 2.87Å; V70-V72 VanDerWaalsContact C-N 3.33Å; V70-E74 PolarHBondContact O-N 3.28Å; V70-L123 HydrophobicContact CB-CD2 4.06Å; V70-L123 HydrophobicContact CG1-CD2 3.86Å; V70-L126 HydrophobicContact CG1-CB 4.2Å; V70-L126 HydrophobicContact CG1-CD1 4.07Å; V70-L126 HydrophobicContact CG2-CB 3.75Å; V70-A130 HydrophobicContact CG2-CB 3.67Å
71L91.9Very high89.5Confident0 Ų028.1 Ų28.10%015%0.146CC..Hα-helixtrans-72.7-28178.9-57.4-170.7000112.6V9 A13 W68 Q69 G75 I76 L77 F96 L123V9-L71 HydrophobicContact CG1-CD2 3.73Å; A13-L71 HydrophobicContact CB-CD1 4.31Å; A13-L71 HydrophobicContact CB-CD2 3.78Å; W68-L71 HydrophobicContact CE3-CD1 3.79Å; W68-L71 HydrophobicContact CZ3-CD1 3.71Å; W68-L71 PolarHBondContact O-N 3.06Å; Q69-L71 VanDerWaalsContact C-N 3.26Å; Q69-L71 PolarHBondContact O-N 3.38Å; L71-G75 PolarHBondContact O-N 3.42Å; L71-I76 HydrophobicContact CD2-CD1 4.26Å; L71-I76 PolarHBondContact O-N 2.9Å; L71-L77 HydrophobicContact CB-CB 3.76Å; L71-L77 PolarHBondContact O-N 3.26Å; L71-F96 HydrophobicContact CD1-CE1 4.28Å; L71-L123 HydrophobicContact CD2-CD2 3.87Å; L71-L123 HydrophobicContact CG-CD2 4.38Å
72V90.9Very high89.3Confident16 Ų1631.7 Ų31.710%0.09717%0.167CC..Hα-helixtrans-71.8-45.9174.7177.70000111.2W68 Q69 V70 E74 G75 L77 L84 F86 Y94W68-V72 PolarHBondContact O-N 3.16Å; W68-V72 VanDerWaalsContact O-N 3.16Å; Q69-V72 PolarHBondContact O-N 2.82Å; V70-V72 VanDerWaalsContact C-N 3.33Å; V72-E74 VanDerWaalsContact C-N 3.28Å; V72-E74 PolarHBondContact O-N 3.23Å; V72-G75 PolarHBondContact O-N 2.96Å; V72-L77 VanDerWaalsContact CA-O 3.29Å; V72-L77 WeakPolarHBondContact CA-O 3.33Å; V72-L77 HydrophobicContact CG2-CB 4.28Å; V72-L77 HydrophobicContact CG2-CD2 4.13Å; V72-L77 HydrophobicContact CG2-CG 4.3Å; V72-L77 WeakPolarHBondContact CG2-O 3.29Å; V72-L84 WeakPolarHBondContact CG1-O 3.42Å; V72-F86 HydrophobicContact CG2-CB 4.18Å; V72-F86 HydrophobicContact CG2-CD2 4.17Å; V72-Y94 HydrophobicContact CG2-CD1 4.48Å; V72-Y94 HydrophobicContact CG2-CE1 4.45Å
73D86.9Confident89.3Confident67 Ų6733.2 Ų33.236%0.35817%0.172SC..Hα-helixtrans-64.8-31.6179.4-73.9-35.9000112.1Q69 G75 R137Q69-D73 VanDerWaalsContact NE2-CG 3.3Å; Q69-D73 PolarHBondContact NE2-OD1 3.02Å; Q69-D73 PolarHBondContact NE2-OD2 3.34Å; Q69-D73 PolarHBondContact O-N 3.08Å; D73-G75 VanDerWaalsContact C-N 3.31Å; D73-R137 IonicContact OD1-CZ 3.45Å; D73-R137 IonicContact OD1-NH1 3.96Å; D73-R137 PolarHBondContact OD1-NH1 3.14Å; D73-R137 VanDerWaalsContact OD1-NH1 3.15Å; D73-R137 IonicContact OD1-NH2 2.77Å; D73-R137 PolarHBondContact OD1-NH2 3.22Å
74E85.8Confident89.4Confident81 Ų8138.3 Ų38.338%0.37920%0.199SC..THydrogen-bonded Turntrans-83-2.4173.3-68-69.6142.600113.6S6 V9 V70 V72 I76S6-E74 WeakPolarHBondContact CB-OE2 3.46Å; S6-E74 PolarHBondContact OG-OE2 3.25Å; V9-E74 HydrophobicContact CB-CG 4.4Å; V9-E74 HydrophobicContact CG1-CB 4.48Å; V9-E74 HydrophobicContact CG1-CG 3.98Å; V70-E74 PolarHBondContact O-N 3.28Å; V72-E74 VanDerWaalsContact C-N 3.28Å; V72-E74 PolarHBondContact O-N 3.23Å; E74-I76 HydrophobicContact CB-CD1 4.08Å; E74-I76 HydrophobicContact CB-CG1 4.25Å; E74-I76 PolarHBondContact O-N 2.93Å
75G85.6Confident89.3Confident25 Ų2539.7 Ų39.726%0.25821%0.207SC..THydrogen-bonded Turntrans75.82.2178.200000115.6L71 V72 D73 V78 Q97L71-G75 PolarHBondContact O-N 3.42Å; V72-G75 PolarHBondContact O-N 2.96Å; D73-G75 VanDerWaalsContact C-N 3.31Å; G75-V78 WeakPolarHBondContact O-CG2 3.47Å; G75-Q97 PolarHBondContact O-OE1 3.39Å
76I88.9Confident89.4Confident1 Ų139.5 Ų39.51%0.00521%0.205CC..SBendtrans-69.9-40.4179.1-58.2163.4000110.7V9 V10 A13 L71 E74 F96 Q97 F101V9-I76 HydrophobicContact CG1-CD1 3.99Å; V10-I76 HydrophobicContact CB-CD1 4.48Å; V10-I76 HydrophobicContact CG2-CD1 3.85Å; V10-I76 HydrophobicContact CG2-CG1 4.44Å; A13-I76 HydrophobicContact CB-CD1 3.92Å; A13-I76 HydrophobicContact CB-CG2 3.77Å; L71-I76 HydrophobicContact CD2-CD1 4.26Å; L71-I76 PolarHBondContact O-N 2.9Å; E74-I76 HydrophobicContact CB-CD1 4.08Å; E74-I76 HydrophobicContact CB-CG1 4.25Å; E74-I76 PolarHBondContact O-N 2.93Å; I76-F96 HydrophobicContact CG2-CD1 4.34Å; I76-F96 WeakPolarHBondContact O-CA 3.41Å; I76-Q97 PolarHBondContact O-N 3.04Å; I76-F101 HydrophobicContact CB-CE2 4.46Å; I76-F101 HydrophobicContact CG1-CD1 4.27Å; I76-F101 HydrophobicContact CG1-CD2 4.23Å; I76-F101 HydrophobicContact CG1-CE1 4.04Å; I76-F101 HydrophobicContact CG1-CE2 4.03Å; I76-F101 HydrophobicContact CG1-CG 4.35Å; I76-F101 HydrophobicContact CG1-CZ 3.92Å; I76-F101 HydrophobicContact CG2-CD2 4.49Å
77L90.6Very high89.4Confident1 Ų141.6 Ų41.61%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-109112.5175.3-175.968000109.5L47 W68 L71 V72 F86 Y94 F96L47-L77 HydrophobicContact CD1-CD2 4.12Å; W68-L77 HydrophobicContact CE3-CD2 3.92Å; L71-L77 HydrophobicContact CB-CB 3.76Å; L71-L77 PolarHBondContact O-N 3.26Å; V72-L77 VanDerWaalsContact CA-O 3.29Å; V72-L77 WeakPolarHBondContact CA-O 3.33Å; V72-L77 HydrophobicContact CG2-CB 4.28Å; V72-L77 HydrophobicContact CG2-CD2 4.13Å; V72-L77 HydrophobicContact CG2-CG 4.3Å; V72-L77 WeakPolarHBondContact CG2-O 3.29Å; L77-F86 HydrophobicContact CD2-CD2 4.28Å; L77-F86 HydrophobicContact CD2-CE2 4.18Å; L77-Y94 HydrophobicContact CD2-CD1 4.39Å; L77-Y94 HydrophobicContact CD2-CG 4.45Å; L77-Y94 HydrophobicContact CG-CD1 4.27Å; L77-Y94 HydrophobicContact CG-CG 4.41Å; L77-F96 HydrophobicContact CD1-CD1 4.31Å; L77-F96 HydrophobicContact CD1-CD2 3.88Å; L77-F96 HydrophobicContact CD1-CE1 4.19Å; L77-F96 HydrophobicContact CD1-CE2 3.74Å; L77-F96 HydrophobicContact CD1-CG 4.17Å; L77-F96 HydrophobicContact CD1-CZ 3.91Å
78V90.4Very high89.4Confident40 Ų4044 Ų4424%0.24223%0.228CC..EExtended strand (participates in β ladder)trans-110.5129.8-173.4-174.20000110.6G75 Y94 R95 Q97G75-V78 WeakPolarHBondContact O-CG2 3.47Å; V78-Y94 CarbonylContact O-C 3.57Å; V78-Y94 WeakPolarHBondContact O-CA 3.4Å; V78-R95 PolarHBondContact N-O 2.92Å; V78-R95 PolarHBondContact O-N 3.39Å; V78-Q97 HydrophobicContact CG2-CG 3.92Å
79H92Very high89.2Confident6 Ų649.3 Ų49.33%0.02825%0.252CS..EExtended strand (participates in β ladder)trans-66.4137.7170.1-174.3-112.8000110.1K81 Q82 D83 Q92 F93 Y94H79-K81 PolarHBondContact ND1-N 2.83Å; H79-K81 PolarHBondContact O-N 3.11Å; H79-Q82 WeakPolarHBondContact O-CA 3.46Å; H79-Q82 PolarHBondContact O-N 3.13Å; H79-D83 HydrophobicContact CB-CB 4.03Å; H79-D83 VanDerWaalsContact ND1-CB 3.34Å; H79-D83 WeakPolarHBondContact ND1-CB 3.38Å; H79-Q92 PolarHBondContact CE1-OE1 3.29Å; H79-Q92 PolarHBondContact NE2-OE1 2.79Å; H79-Q92 VanDerWaalsContact NE2-OE1 3.13Å; H79-F93 PolarHBondContact CD2-O 2.96Å; H79-Y94 HydrophobicContact CB-CD1 3.91Å; H79-Y94 HydrophobicContact CB-CE1 3.69Å; H79-Y94 AromaticContact CD2-CE1 3.63Å; H79-Y94 AromaticContact CD2-CZ 3.58Å
80V88.1Confident89Confident44 Ų4452.9 Ų52.927%0.26727%0.271SS..THydrogen-bonded Turntrans-64.1-19.8-174.6178.70000113H38 C41 F93H38-V80 VanDerWaalsContact ND1-CG1 3.27Å; H38-V80 WeakPolarHBondContact ND1-CG1 3.43Å; C41-V80 HydrophobicContact CB-CG2 4.47Å; V80-F93 HydrophobicContact CB-CB 4.46Å; V80-F93 HydrophobicContact CG2-CB 3.92Å; V80-F93 WeakPolarHBondContact CG2-O 3.33Å; V80-F93 PolarHBondContact N-O 2.85Å
81K85.6Confident88.8Confident147 Ų14755.6 Ų55.664%0.63929%0.287SS*.THydrogen-bonded Turntrans-10112172.2-53.6-179.2-178.4173.10114H79 D83H79-K81 PolarHBondContact ND1-N 2.83Å; H79-K81 PolarHBondContact O-N 3.11Å; K81-D83 VanDerWaalsContact C-N 3.28Å; K81-D83 PolarHBondContact O-N 3.34Å
82Q85Confident88.7Confident165 Ų16557 Ų5777%0.77129%0.294SS*.  trans57.837-176.2-57.9179.6-19.800113.6H79H79-Q82 WeakPolarHBondContact O-CA 3.46Å; H79-Q82 PolarHBondContact O-N 3.13Å
83D86.3Confident88.8Confident67 Ų6757.1 Ų57.136%0.35829%0.293SS..  trans-73139.2168.2-160.2-29000108.7H79 K81 N85H79-D83 HydrophobicContact CB-CB 4.03Å; H79-D83 VanDerWaalsContact ND1-CB 3.34Å; H79-D83 WeakPolarHBondContact ND1-CB 3.38Å; K81-D83 VanDerWaalsContact C-N 3.28Å; K81-D83 PolarHBondContact O-N 3.34Å; D83-N85 VanDerWaalsContact C-N 3.34Å; D83-N85 PolarHBondContact OD1-N 2.97Å; D83-N85 VanDerWaalsContact OD1-N 3.08Å
84L85.2Confident89.1Confident121 Ų12154 Ų5463%0.63428%0.276SS*.SBendtrans-82.8-16.5-179.4-62176.4000112.1Q69 V72 R137Q69-L84 PolarHBondContact NE2-O 3.37Å; V72-L84 WeakPolarHBondContact CG1-O 3.42Å; L84-R137 PolarHBondContact O-NH1 3.34Å
85N89.2Confident89.3Confident29 Ų2955 Ų5516%0.15528%0.277CS..SBendtrans-107.4135.2-177.3-66.9-19.2000111D83 M134 R137D83-N85 VanDerWaalsContact C-N 3.34Å; D83-N85 PolarHBondContact OD1-N 2.97Å; D83-N85 VanDerWaalsContact OD1-N 3.08Å; N85-M134 HydrophobicContact CB-CG 3.75Å; N85-M134 HydrophobicContact CB-SD 4.24Å; N85-R137 WeakPolarHBondContact OD1-CD 3.48Å; N85-R137 PolarHBondContact OD1-NH1 3.29Å
86F92.8Very high89.4Confident3 Ų354.3 Ų54.31%0.01327%0.267CS..  trans-75134.8171.4-174.1-90.1000110G44 L47 V48 A65 W68 Q69 V72 L77 Y94 M134G44-F86 WeakPolarHBondContact O-CZ 3.25Å; L47-F86 HydrophobicContact CB-CZ 4.24Å; L47-F86 HydrophobicContact CD1-CE2 3.92Å; L47-F86 HydrophobicContact CD1-CZ 4.31Å; V48-F86 HydrophobicContact CG2-CE1 3.7Å; V48-F86 HydrophobicContact CG2-CZ 4.09Å; A65-F86 HydrophobicContact CB-CD1 3.89Å; A65-F86 HydrophobicContact CB-CE1 4.23Å; W68-F86 HydrophobicContact CB-CD1 4.02Å; W68-F86 HydrophobicContact CB-CD2 3.67Å; W68-F86 HydrophobicContact CB-CE1 4Å; W68-F86 HydrophobicContact CB-CE2 3.64Å; W68-F86 HydrophobicContact CB-CG 3.86Å; W68-F86 HydrophobicContact CB-CZ 3.8Å; W68-F86 AromaticContact CD1-CZ 3.77Å; W68-F86 HydrophobicContact CG-CD2 4.5Å; W68-F86 HydrophobicContact CG-CE1 4.29Å; W68-F86 AromaticContact CG-CE2 3.98Å; W68-F86 HydrophobicContact CG-CE2 3.98Å; W68-F86 AromaticContact CG-CZ 3.86Å; W68-F86 HydrophobicContact CG-CZ 3.86Å; Q69-F86 HydrophobicContact CB-CB 4.37Å; V72-F86 HydrophobicContact CG2-CB 4.18Å; V72-F86 HydrophobicContact CG2-CD2 4.17Å; L77-F86 HydrophobicContact CD2-CD2 4.28Å; L77-F86 HydrophobicContact CD2-CE2 4.18Å; F86-Y94 HydrophobicContact CD2-CD1 4.1Å; F86-Y94 HydrophobicContact CD2-CD2 4.4Å; F86-Y94 AromaticContact CD2-CE1 3.68Å; F86-Y94 HydrophobicContact CD2-CE1 3.68Å; F86-Y94 HydrophobicContact CD2-CE2 4.03Å; F86-Y94 HydrophobicContact CD2-CG 4.46Å; F86-Y94 AromaticContact CD2-CZ 3.67Å; F86-Y94 HydrophobicContact CE2-CD1 4.39Å; F86-Y94 AromaticContact CE2-CD2 4Å; F86-Y94 HydrophobicContact CE2-CD2 4Å; F86-Y94 HydrophobicContact CE2-CE1 4.24Å; F86-Y94 AromaticContact CE2-CE2 3.85Å; F86-Y94 HydrophobicContact CE2-CE2 3.85Å; F86-Y94 HydrophobicContact CE2-CG 4.3Å; F86-Y94 HydrophobicContact CG-CE1 4.48Å; F86-M134 HydrophobicContact CB-SD 4.26Å
87L90.4Very high89.1Confident45 Ų4557.6 Ų57.624%0.23628%0.282CS..  trans-128.7115.5-174.3-62.2175.8000109.2K89 Q92 Y94L87-K89 PolarHBondContact O-N 3.12Å; L87-Q92 HydrophobicContact CB-CB 4.2Å; L87-Q92 HydrophobicContact CB-CG 3.85Å; L87-Q92 HydrophobicContact CD1-CG 3.9Å; L87-Y94 PolarHBondContact N-OH 3.11Å
88D91.9Very high87.9Confident51 Ų5161.2 Ų61.227%0.27330%0.302SS..  trans-71.773.4172.8-179.216.5000110.9K45 V48 R61K45-D88 VanDerWaalsContact CA-OD1 3.28Å; K45-D88 WeakPolarHBondContact CA-OD1 3.49Å; V48-D88 HydrophobicContact CG2-CB 4.09Å; R61-D88 IonicContact CZ-OD1 3.88Å; R61-D88 IonicContact CZ-OD2 3.49Å; R61-D88 IonicContact NE-OD1 2.7Å; R61-D88 IonicContact NE-OD2 2.64Å; R61-D88 PolarHBondContact NE-OD2 3.06Å; R61-D88 IonicContact NH2-OD1 3.47Å; R61-D88 PolarHBondContact NH2-OD1 3.13Å; R61-D88 IonicContact NH2-OD2 3.26Å; R61-D88 PolarHBondContact NH2-OD2 3.31Å
89K90.5Very high86.2Confident115 Ų11564.9 Ų64.950%0.533%0.329SS..  trans-143146.1-177.9-69.4-177.1-178.81770110.6G44 K45 L87 T91 Q92G44-K89 PolarHBondContact N-O 3.04Å; K45-K89 PolarHBondContact N-O 3.31Å; L87-K89 PolarHBondContact O-N 3.12Å; K89-T91 VanDerWaalsContact C-N 3.26Å; K89-T91 PolarHBondContact O-N 3.23Å; K89-Q92 HydrophobicContact CB-CB 4.38Å; K89-Q92 HydrophobicContact CB-CG 3.78Å; K89-Q92 HydrophobicContact CD-CG 4.31Å; K89-Q92 PolarHBondContact O-N 3.43Å
90D88.6Confident84.3Confident76 Ų7671.3 Ų71.341%0.40636%0.359SS..THydrogen-bonded Turntrans-66.3-27.4177.8-85.3-44.1000113.5S43 K45 F93S43-D90 WeakPolarHBondContact CB-O 3.43Å; K45-D90 WeakPolarHBondContact CD-OD1 3.32Å; K45-D90 WeakPolarHBondContact CD-OD2 3.5Å; K45-D90 IonicContact NZ-OD2 3.05Å; K45-D90 PolarHBondContact NZ-OD2 3.46Å; D90-F93 WeakPolarHBondContact O-CE1 3.38Å
91T87.1Confident82.8Confident67 Ų6771.3 Ų71.341%0.41136%0.355SS..THydrogen-bonded Turntrans-92.81.9-175.5580000114K89K89-T91 VanDerWaalsContact C-N 3.26Å; K89-T91 PolarHBondContact O-N 3.23Å
92Q91Very high81.5Confident30 Ų3066.1 Ų66.114%0.1434%0.344CS..  trans-107.9122.8178.6-56.3-57.8-49.300108.6S43 G44 H79 L87 K89 Y94S43-Q92 CarbonylContact C-O 3.57Å; S43-Q92 WeakPolarHBondContact CA-O 3.27Å; G44-Q92 PolarHBondContact N-O 3.37Å; H79-Q92 PolarHBondContact CE1-OE1 3.29Å; H79-Q92 PolarHBondContact NE2-OE1 2.79Å; H79-Q92 VanDerWaalsContact NE2-OE1 3.13Å; L87-Q92 HydrophobicContact CB-CB 4.2Å; L87-Q92 HydrophobicContact CB-CG 3.85Å; L87-Q92 HydrophobicContact CD1-CG 3.9Å; K89-Q92 HydrophobicContact CB-CB 4.38Å; K89-Q92 HydrophobicContact CB-CG 3.78Å; K89-Q92 HydrophobicContact CD-CG 4.31Å; K89-Q92 PolarHBondContact O-N 3.43Å; Q92-Y94 HydrophobicContact CB-CE2 4.01Å
93F92.6Very high80.3Confident18 Ų1858.7 Ų58.78%0.07931%0.309CS..EExtended strand (participates in β ladder)trans-113.6138.1-170.8-55.6-62000111.3R31 H33 H38 C41 C42 H79 V80 D90R31-F93 HydrophobicContact CB-CE1 4.34Å; H33-F93 HydrophobicContact CB-CE2 3.52Å; H33-F93 HydrophobicContact CB-CZ 3.95Å; H33-F93 AromaticContact CG-CE2 3.7Å; H38-F93 AromaticContact CD2-CD2 3.66Å; H38-F93 AromaticContact CD2-CE2 4Å; C41-F93 HydrophobicContact CB-CB 4.33Å; C42-F93 CarbonylContact O-C 3.53Å; C42-F93 VanDerWaalsContact O-CA 3.27Å; C42-F93 WeakPolarHBondContact O-CA 2.77Å; H79-F93 PolarHBondContact CD2-O 2.96Å; V80-F93 HydrophobicContact CB-CB 4.46Å; V80-F93 HydrophobicContact CG2-CB 3.92Å; V80-F93 WeakPolarHBondContact CG2-O 3.33Å; V80-F93 PolarHBondContact N-O 2.85Å; D90-F93 WeakPolarHBondContact O-CE1 3.38Å
94Y92.9Very high78.9Confident1 Ų162.4 Ų62.40%0.00433%0.329CS..EExtended strand (participates in β ladder)trans-126.6150-177.8-58.5-95000111C41 C42 L47 V72 L77 V78 H79 F86 L87 Q92C41-Y94 CarbonylContact C-O 3.59Å; C41-Y94 WeakPolarHBondContact CA-O 3.48Å; C41-Y94 VanDerWaalsContact CB-O 3.3Å; C41-Y94 WeakPolarHBondContact CB-O 3.28Å; C42-Y94 PolarHBondContact N-O 3.24Å; C42-Y94 PolarHBondContact O-N 2.87Å; L47-Y94 HydrophobicContact CD1-CD2 4.33Å; L47-Y94 HydrophobicContact CD1-CG 4.49Å; V72-Y94 HydrophobicContact CG2-CD1 4.48Å; V72-Y94 HydrophobicContact CG2-CE1 4.45Å; L77-Y94 HydrophobicContact CD2-CD1 4.39Å; L77-Y94 HydrophobicContact CD2-CG 4.45Å; L77-Y94 HydrophobicContact CG-CD1 4.27Å; L77-Y94 HydrophobicContact CG-CG 4.41Å; V78-Y94 CarbonylContact O-C 3.57Å; V78-Y94 WeakPolarHBondContact O-CA 3.4Å; H79-Y94 HydrophobicContact CB-CD1 3.91Å; H79-Y94 HydrophobicContact CB-CE1 3.69Å; H79-Y94 AromaticContact CD2-CE1 3.63Å; H79-Y94 AromaticContact CD2-CZ 3.58Å; F86-Y94 HydrophobicContact CD2-CD1 4.1Å; F86-Y94 HydrophobicContact CD2-CD2 4.4Å; F86-Y94 AromaticContact CD2-CE1 3.68Å; F86-Y94 HydrophobicContact CD2-CE1 3.68Å; F86-Y94 HydrophobicContact CD2-CE2 4.03Å; F86-Y94 HydrophobicContact CD2-CG 4.46Å; F86-Y94 AromaticContact CD2-CZ 3.67Å; F86-Y94 HydrophobicContact CE2-CD1 4.39Å; F86-Y94 AromaticContact CE2-CD2 4Å; F86-Y94 HydrophobicContact CE2-CD2 4Å; F86-Y94 HydrophobicContact CE2-CE1 4.24Å; F86-Y94 AromaticContact CE2-CE2 3.85Å; F86-Y94 HydrophobicContact CE2-CE2 3.85Å; F86-Y94 HydrophobicContact CE2-CG 4.3Å; F86-Y94 HydrophobicContact CG-CE1 4.48Å; L87-Y94 PolarHBondContact N-OH 3.11Å; Q92-Y94 HydrophobicContact CB-CE2 4.01Å
95R90.8Very high77.3Confident102 Ų10262 Ų6239%0.38532%0.324SS..EExtended strand (participates in β ladder)trans-131.8137.3179.4179-175.9-62.6145.31110.2R39 V78R39-R95 PolarHBondContact O-NE 3.2Å; R39-R95 PolarHBondContact O-NH2 3.49Å; V78-R95 PolarHBondContact N-O 2.92Å; V78-R95 PolarHBondContact O-N 3.39Å
96F87.7Confident75.4Confident11 Ų1166.3 Ų66.35%0.04835%0.351CS..EExtended strand (participates in β ladder)trans-78.2133.8169.1-72.3-93000110.5Y17 M20 W68 L71 I76 L77 D98 L103Y17-F96 HydrophobicContact CD2-CB 4Å; Y17-F96 AromaticContact CD2-CD1 3.88Å; Y17-F96 HydrophobicContact CD2-CD1 3.88Å; Y17-F96 AromaticContact CD2-CD2 3.77Å; Y17-F96 HydrophobicContact CD2-CD2 3.77Å; Y17-F96 HydrophobicContact CD2-CE1 4.28Å; Y17-F96 HydrophobicContact CD2-CE2 4.18Å; Y17-F96 AromaticContact CD2-CG 3.61Å; Y17-F96 HydrophobicContact CD2-CG 3.61Å; Y17-F96 HydrophobicContact CD2-CZ 4.41Å; Y17-F96 HydrophobicContact CE2-CB 3.81Å; Y17-F96 AromaticContact CE2-CD2 3.93Å; Y17-F96 HydrophobicContact CE2-CD2 3.93Å; Y17-F96 AromaticContact CE2-CG 3.84Å; Y17-F96 HydrophobicContact CE2-CG 3.84Å; M20-F96 HydrophobicContact CE-CE2 4.05Å; M20-F96 HydrophobicContact CE-CZ 4.33Å; M20-F96 HydrophobicContact SD-CZ 4.26Å; W68-F96 HydrophobicContact CZ3-CZ 4.02Å; L71-F96 HydrophobicContact CD1-CE1 4.28Å; I76-F96 HydrophobicContact CG2-CD1 4.34Å; I76-F96 WeakPolarHBondContact O-CA 3.41Å; L77-F96 HydrophobicContact CD1-CD1 4.31Å; L77-F96 HydrophobicContact CD1-CD2 3.88Å; L77-F96 HydrophobicContact CD1-CE1 4.19Å; L77-F96 HydrophobicContact CD1-CE2 3.74Å; L77-F96 HydrophobicContact CD1-CG 4.17Å; L77-F96 HydrophobicContact CD1-CZ 3.91Å; F96-D98 PolarHBondContact O-N 3.24Å; F96-L103 HydrophobicContact CB-CD1 4.1Å; F96-L103 HydrophobicContact CD1-CD1 4.44Å
97Q81.8Confident73.5Confident70 Ų7068.3 Ų68.333%0.32737%0.365SS..  trans-8391.8173.7-80.7-173.5-19.800110.7G75 I76 V78 S99 F101G75-Q97 PolarHBondContact O-OE1 3.39Å; I76-Q97 PolarHBondContact O-N 3.04Å; V78-Q97 HydrophobicContact CG2-CG 3.92Å; Q97-S99 PolarHBondContact O-N 3.01Å; Q97-F101 HydrophobicContact CB-CD2 4.25Å; Q97-F101 HydrophobicContact CB-CE2 4.29Å; Q97-F101 WeakPolarHBondContact O-CD2 3.45Å
98D65.4Low71.9Confident78 Ų7871.9 Ų71.942%0.41739%0.385SS..Hα-helixtrans-66.8-33.1-179.8-80.1-31.7000113.9Y17 F96 E100 G102 L103Y17-D98 PolarHBondContact OH-OD1 3.29Å; Y17-D98 PolarHBondContact OH-OD2 3.01Å; F96-D98 PolarHBondContact O-N 3.24Å; D98-E100 PolarHBondContact O-N 3.34Å; D98-G102 PolarHBondContact O-N 3.35Å; D98-L103 WeakPolarHBondContact OD1-CB 3.24Å; D98-L103 WeakPolarHBondContact OD1-CD1 3.47Å
99S54.8Low70.3Confident116 Ų11677.6 Ų77.681%0.81141%0.409SS*.Hα-helixtrans-75.3-23.4-167.853.80000115.3Q97Q97-S99 PolarHBondContact O-N 3.01Å
100E53.3Low68.7Low142 Ų14278.8 Ų78.866%0.66442%0.415SS*.Hα-helixtrans-98.8-28.5-178.4-72.4-174.7174.500113.1D98D98-E100 PolarHBondContact O-N 3.34Å
101F56.2Low67.6Low43 Ų4379.8 Ų79.819%0.18942%0.417CS..Hα-helixtrans-108.1-2.3-168.9-61.8-73.8000114.8V10 R14 I76 Q97V10-F101 HydrophobicContact CB-CD1 4.49Å; V10-F101 HydrophobicContact CG1-CB 4.25Å; V10-F101 HydrophobicContact CG1-CD1 3.97Å; V10-F101 HydrophobicContact CG2-CD1 3.65Å; V10-F101 HydrophobicContact CG2-CE1 3.88Å; R14-F101 PolarHBondContact NH2-O 3.42Å; I76-F101 HydrophobicContact CB-CE2 4.46Å; I76-F101 HydrophobicContact CG1-CD1 4.27Å; I76-F101 HydrophobicContact CG1-CD2 4.23Å; I76-F101 HydrophobicContact CG1-CE1 4.04Å; I76-F101 HydrophobicContact CG1-CE2 4.03Å; I76-F101 HydrophobicContact CG1-CG 4.35Å; I76-F101 HydrophobicContact CG1-CZ 3.92Å; I76-F101 HydrophobicContact CG2-CD2 4.49Å; Q97-F101 HydrophobicContact CB-CD2 4.25Å; Q97-F101 HydrophobicContact CB-CE2 4.29Å; Q97-F101 WeakPolarHBondContact O-CD2 3.45Å
102G57.2Low66.8Low39 Ų3977 Ų7740%0.40240%0.4SS..THydrogen-bonded Turntrans56.959.9175.400000111.9R14 D98 N104R14-G102 PolarHBondContact NE-O 3.49Å; R14-G102 PolarHBondContact NH2-O 3.1Å; D98-G102 PolarHBondContact O-N 3.35Å; G102-N104 PolarHBondContact O-N 2.85Å
103L59.8Low65.8Low8 Ų880 Ų804%0.04241%0.414CS..  trans-73.625-178.9-66.6174.4000113.5R14 Y17 F96 D98R14-L103 HydrophobicContact CB-CD2 3.92Å; R14-L103 HydrophobicContact CG-CD2 4.18Å; Y17-L103 HydrophobicContact CD1-CB 3.76Å; Y17-L103 HydrophobicContact CD1-CD1 4.07Å; Y17-L103 HydrophobicContact CD1-CD2 4.5Å; Y17-L103 HydrophobicContact CD1-CG 4.32Å; Y17-L103 HydrophobicContact CD2-CD1 4.2Å; Y17-L103 HydrophobicContact CE1-CB 3.91Å; Y17-L103 HydrophobicContact CE1-CD1 4.27Å; Y17-L103 HydrophobicContact CE2-CD1 4.41Å; Y17-L103 HydrophobicContact CG-CB 4.47Å; Y17-L103 HydrophobicContact CG-CD1 4.01Å; Y17-L103 HydrophobicContact CG-CD2 4.49Å; F96-L103 HydrophobicContact CB-CD1 4.1Å; F96-L103 HydrophobicContact CD1-CD1 4.44Å; D98-L103 WeakPolarHBondContact OD1-CB 3.24Å; D98-L103 WeakPolarHBondContact OD1-CD1 3.47Å
104N56.9Low64.9Low145 Ų14583 Ų8378%0.77543%0.43SS*.  trans-82.3140.4179.8-74.2-19.5000112.3G102G102-N104 PolarHBondContact O-N 2.85Å
105H53.2Low64.2Low114 Ų11485.9 Ų85.953%0.52844%0.444SS..  trans-62.8136.8-169.4-177.225.5000115.5E22E22-H105 IonicContact OE1-CE1 2.97Å; E22-H105 PolarHBondContact OE1-CE1 3.12Å; E22-H105 IonicContact OE1-ND1 3.69Å; E22-H105 IonicContact OE1-NE2 3.31Å; E22-H105 PolarHBondContact OE1-NE2 2.8Å
106V48.8Very low63.9Low119 Ų11981.6 Ų81.672%0.72143%0.429SS*.  trans-147.8142.9151.8-169.50000111.3
107S51.9Low63.4Low44 Ų4485.3 Ų85.331%0.30845%0.446SS..SBendtrans89.9156.5157.175.40000121.1E111 L112S107-E111 WeakPolarHBondContact CB-OE2 3.43Å; S107-E111 PolarHBondContact OG-OE2 3.05Å; S107-L112 WeakPolarHBondContact O-CD1 3.49Å
108N56.8Low63.4Low121 Ų12188 Ų8865%0.64746%0.458SS*.  trans-46.6149.1-166.5-81-41.1000114K110 E111 L112N108-K110 PolarHBondContact O-N 3Å; N108-E111 PolarHBondContact O-N 3.26Å; N108-L112 PolarHBondContact O-N 3.22Å
109E58.2Low64.3Low170 Ų17084.5 Ų84.579%0.79444%0.44SS*.Hα-helixtrans-46.2-33177.8-72.5-171.7156.100114.2E113E109-E113 PolarHBondContact O-N 2.66Å
110K58.1Low65.8Low141 Ų14179.4 Ų79.461%0.61340%0.404SS*.Hα-helixtrans-78.2-30.9-177.7-149.4177.7-172.2175.40113.7N108N108-K110 PolarHBondContact O-N 3Å
111E65.6Low67.1Low96 Ų9674.2 Ų74.245%0.44938%0.383SS..Hα-helixtrans-76.9-36.2175.1-71.2174.7-167.200110.4S107 N108 E113 D114 E115S107-E111 WeakPolarHBondContact CB-OE2 3.43Å; S107-E111 PolarHBondContact OG-OE2 3.05Å; N108-E111 PolarHBondContact O-N 3.26Å; E111-E113 VanDerWaalsContact C-N 3.35Å; E111-E113 PolarHBondContact O-N 3.07Å; E111-D114 PolarHBondContact O-N 3.14Å; E111-E115 WeakPolarHBondContact O-CB 3.47Å; E111-E115 WeakPolarHBondContact O-CG 3.42Å; E111-E115 PolarHBondContact O-N 3.27Å
112L69.7Low68.4Low9 Ų972.8 Ų72.85%0.04738%0.378CS..Hα-helixtrans-57.1-41174.6-96.5146.8000113.7V19 S107 N108 L116V19-L112 HydrophobicContact CG2-CD2 3.75Å; S107-L112 WeakPolarHBondContact O-CD1 3.49Å; N108-L112 PolarHBondContact O-N 3.22Å; L112-L116 VanDerWaalsContact O-CB 3.29Å; L112-L116 WeakPolarHBondContact O-CB 3.45Å; L112-L116 PolarHBondContact O-N 3.39Å
113E71.4Confident69.9Low93 Ų9371.1 Ų71.144%0.43536%0.36SS..Hα-helixtrans-70.7-40178.4-73.2-167.1163.900113K23 E109 E111 H117K23-E113 IonicContact NZ-OE1 2.62Å; K23-E113 PolarHBondContact NZ-OE1 2.95Å; E109-E113 PolarHBondContact O-N 2.66Å; E111-E113 VanDerWaalsContact C-N 3.35Å; E111-E113 PolarHBondContact O-N 3.07Å; E113-H117 PolarHBondContact O-N 3.15Å; E113-H117 VanDerWaalsContact O-N 3.12Å
114D72Confident71Confident81 Ų8172.1 Ų72.143%0.43337%0.367SS..Hα-helixtrans-68.9-40.3177.9-74.5-21.9000110.3E111 H117 E118E111-D114 PolarHBondContact O-N 3.14Å; D114-H117 WeakPolarHBondContact O-CB 3.01Å; D114-H117 PolarHBondContact O-N 2.85Å; D114-E118 PolarHBondContact O-N 3.33Å; D114-E118 VanDerWaalsContact O-N 3.13Å
115E79.8Confident72.1Confident61 Ų6169.3 Ų69.329%0.28535%0.349SS..Hα-helixtrans-65.7-41.3174.2-73.7-162.5161.600113.4S15 E111 H117 E118 A119S15-E115 PolarHBondContact OG-OE2 3.06Å; E111-E115 WeakPolarHBondContact O-CB 3.47Å; E111-E115 WeakPolarHBondContact O-CG 3.42Å; E111-E115 PolarHBondContact O-N 3.27Å; E115-H117 PolarHBondContact O-N 2.91Å; E115-E118 PolarHBondContact O-N 3.4Å; E115-A119 WeakPolarHBondContact O-CB 3.36Å; E115-A119 PolarHBondContact O-N 3.24Å
116L82.8Confident73.6Confident13 Ų1366.2 Ų66.27%0.06834%0.337CS..Hα-helixtrans-58.3-41.7174.2177.969.7000110.6V16 V19 W50 L112 A119 L120V16-L116 HydrophobicContact CB-CD1 4.48Å; V16-L116 HydrophobicContact CG2-CD1 3.95Å; V19-L116 HydrophobicContact CB-CD1 4.36Å; V19-L116 HydrophobicContact CB-CD2 4.33Å; V19-L116 HydrophobicContact CG1-CD2 3.97Å; V19-L116 HydrophobicContact CG2-CB 4.19Å; V19-L116 HydrophobicContact CG2-CD1 4.28Å; V19-L116 HydrophobicContact CG2-CD2 4.15Å; V19-L116 HydrophobicContact CG2-CG 4.44Å; W50-L116 HydrophobicContact CH2-CD1 4.2Å; L112-L116 VanDerWaalsContact O-CB 3.29Å; L112-L116 WeakPolarHBondContact O-CB 3.45Å; L112-L116 PolarHBondContact O-N 3.39Å; L116-A119 WeakPolarHBondContact O-CB 3.5Å; L116-A119 PolarHBondContact O-N 3.2Å; L116-L120 HydrophobicContact CD1-CD1 4.28Å; L116-L120 HydrophobicContact CD1-CG 4.16Å; L116-L120 HydrophobicContact CD2-CD1 4.42Å; L116-L120 HydrophobicContact CG-CD1 3.98Å; L116-L120 HydrophobicContact CG-CG 4.22Å; L116-L120 WeakPolarHBondContact O-CB 3.11Å; L116-L120 VanDerWaalsContact O-CG 3.25Å; L116-L120 WeakPolarHBondContact O-CG 3.4Å; L116-L120 PolarHBondContact O-N 3.46Å
117H78.1Confident75.4Confident89 Ų8960.7 Ų60.741%0.41230%0.303SS..Hα-helixtrans-66.6-40.8-178.6-159.530.2000112.4E113 D114 E115 S121 R699E113-H117 PolarHBondContact O-N 3.15Å; E113-H117 VanDerWaalsContact O-N 3.12Å; D114-H117 WeakPolarHBondContact O-CB 3.01Å; D114-H117 PolarHBondContact O-N 2.85Å; E115-H117 PolarHBondContact O-N 2.91Å; H117-S121 WeakPolarHBondContact O-CB 3.33Å; H117-S121 PolarHBondContact O-N 3.4Å; H117-R699 PolarHBondContact CD2-NH2 3.08Å; H117-R699 PolarHBondContact CE1-NH1 2.95Å; H117-R699 PolarHBondContact CE1-NH2 2.97Å; H117-R699 PolarHBondContact NE2-NH1 3.41Å; H117-R699 PolarHBondContact NE2-NH2 3.45Å; H117-R699 VanDerWaalsContact NE2-NH2 3.18Å
118E80.8Confident76.9Confident126 Ų12658.8 Ų58.859%0.58929%0.29SS*.Hα-helixtrans-62.4-43.4171.7-71.9-175-178.700111.6D114 E115 S121 L122D114-E118 PolarHBondContact O-N 3.33Å; D114-E118 VanDerWaalsContact O-N 3.13Å; E115-E118 PolarHBondContact O-N 3.4Å; E118-S121 WeakPolarHBondContact O-CB 3.46Å; E118-S121 PolarHBondContact O-N 3.23Å; E118-L122 PolarHBondContact O-N 3.46Å
119A85.3Confident78.1Confident4 Ų457 Ų573%0.03328%0.28CS..Hα-helixtrans-60.5-49.5177.300000112A12 V16 E115 L116 S121 L122 L123A12-A119 HydrophobicContact CB-CB 3.63Å; A12-A119 WeakPolarHBondContact O-CB 3.44Å; V16-A119 HydrophobicContact CG2-CB 4.25Å; E115-A119 WeakPolarHBondContact O-CB 3.36Å; E115-A119 PolarHBondContact O-N 3.24Å; L116-A119 WeakPolarHBondContact O-CB 3.5Å; L116-A119 PolarHBondContact O-N 3.2Å; A119-S121 VanDerWaalsContact C-N 3.3Å; A119-S121 PolarHBondContact O-N 2.84Å; A119-L122 PolarHBondContact O-N 3.44Å; A119-L123 WeakPolarHBondContact O-CG 3.43Å; A119-L123 PolarHBondContact O-N 2.73Å
120L85.4Confident79.4Confident9 Ų949.3 Ų49.35%0.04725%0.246CC..Hα-helixtrans-63.1-36.6176.9-68.8179.5000111.9V16 L51 Q54 M67 L116 S124V16-L120 HydrophobicContact CG2-CD2 4.34Å; L51-L120 HydrophobicContact CD1-CD2 3.33Å; Q54-L120 HydrophobicContact CB-CD1 4.31Å; M67-L120 HydrophobicContact CE-CB 4.44Å; M67-L120 HydrophobicContact CE-CD2 3.93Å; M67-L120 WeakPolarHBondContact CE-O 3.36Å; L116-L120 HydrophobicContact CD1-CD1 4.28Å; L116-L120 HydrophobicContact CD1-CG 4.16Å; L116-L120 HydrophobicContact CD2-CD1 4.42Å; L116-L120 HydrophobicContact CG-CD1 3.98Å; L116-L120 HydrophobicContact CG-CG 4.22Å; L116-L120 WeakPolarHBondContact O-CB 3.11Å; L116-L120 VanDerWaalsContact O-CG 3.25Å; L116-L120 WeakPolarHBondContact O-CG 3.4Å; L116-L120 PolarHBondContact O-N 3.46Å; L120-S124 WeakPolarHBondContact O-CB 3.38Å; L120-S124 PolarHBondContact O-N 3.35Å
121S80.6Confident80.9Confident33 Ų3342.9 Ų42.923%0.23122%0.218CC..Hα-helixtrans-63.6-45.3175.1-166.40000111.5H117 E118 A119 S124 Q125H117-S121 WeakPolarHBondContact O-CB 3.33Å; H117-S121 PolarHBondContact O-N 3.4Å; E118-S121 WeakPolarHBondContact O-CB 3.46Å; E118-S121 PolarHBondContact O-N 3.23Å; A119-S121 VanDerWaalsContact C-N 3.3Å; A119-S121 PolarHBondContact O-N 2.84Å; S121-S124 PolarHBondContact O-N 3.47Å; S121-Q125 WeakPolarHBondContact O-CG 3.45Å; S121-Q125 PolarHBondContact O-N 3.13Å; S121-Q125 VanDerWaalsContact O-N 3.12Å
122L84.1Confident81.8Confident14 Ų1438.4 Ų38.47%0.07320%0.197CC..Hα-helixtrans-63-48176.7177.261.5000111.5R8 A12 E118 A119 S124 Q125 L126R8-L122 HydrophobicContact CB-CD2 3.82Å; A12-L122 HydrophobicContact CB-CD2 4.18Å; E118-L122 PolarHBondContact O-N 3.46Å; A119-L122 PolarHBondContact O-N 3.44Å; L122-S124 VanDerWaalsContact C-N 3.28Å; L122-S124 PolarHBondContact O-N 3.38Å; L122-Q125 WeakPolarHBondContact O-CB 3.21Å; L122-Q125 PolarHBondContact O-N 3.05Å; L122-Q125 VanDerWaalsContact O-N 3.13Å; L122-L126 HydrophobicContact CD1-CD1 4Å; L122-L126 HydrophobicContact CD1-CG 4.25Å; L122-L126 HydrophobicContact CG-CD1 4.12Å; L122-L126 PolarHBondContact O-N 3.12Å
123L87.6Confident82.5Confident4 Ų439.2 Ų39.22%0.02120%0.203CC..Hα-helixtrans-63.1-35.5178.6-69.2176.4000111.7A12 V16 M67 V70 L71 A119 Q125 L126 G127A12-L123 HydrophobicContact CB-CG 4.49Å; V16-L123 HydrophobicContact CG2-CD1 4.16Å; M67-L123 HydrophobicContact CB-CB 4.21Å; M67-L123 HydrophobicContact CE-CB 3.65Å; M67-L123 HydrophobicContact CG-CB 4.31Å; M67-L123 WeakPolarHBondContact CG-O 3.49Å; V70-L123 HydrophobicContact CB-CD2 4.06Å; V70-L123 HydrophobicContact CG1-CD2 3.86Å; L71-L123 HydrophobicContact CD2-CD2 3.87Å; L71-L123 HydrophobicContact CG-CD2 4.38Å; A119-L123 WeakPolarHBondContact O-CG 3.43Å; A119-L123 PolarHBondContact O-N 2.73Å; L123-Q125 VanDerWaalsContact C-N 3.31Å; L123-Q125 PolarHBondContact O-N 3.39Å; L123-L126 PolarHBondContact O-N 3.25Å; L123-G127 WeakPolarHBondContact O-CA 3.47Å; L123-G127 PolarHBondContact O-N 2.92Å
124S83.6Confident83.4Confident29 Ų2935.3 Ų35.320%0.20319%0.185CC..Hα-helixtrans-67-31.3175.5-1740000112.7L120 S121 L122 P128L120-S124 WeakPolarHBondContact O-CB 3.38Å; L120-S124 PolarHBondContact O-N 3.35Å; S121-S124 PolarHBondContact O-N 3.47Å; L122-S124 VanDerWaalsContact C-N 3.28Å; L122-S124 PolarHBondContact O-N 3.38Å; S124-P128 WeakPolarHBondContact O-CD 3.35Å
125Q81.4Confident84.2Confident85 Ų8531.5 Ų31.540%0.39716%0.164SC..Hα-helixtrans-72.8-43.5174.7-73.9174.9-15.500112.3S121 L122 L123 P128 D702S121-Q125 WeakPolarHBondContact O-CG 3.45Å; S121-Q125 PolarHBondContact O-N 3.13Å; S121-Q125 VanDerWaalsContact O-N 3.12Å; L122-Q125 WeakPolarHBondContact O-CB 3.21Å; L122-Q125 PolarHBondContact O-N 3.05Å; L122-Q125 VanDerWaalsContact O-N 3.13Å; L123-Q125 VanDerWaalsContact C-N 3.31Å; L123-Q125 PolarHBondContact O-N 3.39Å; Q125-P128 WeakPolarHBondContact O-CD 3.38Å; Q125-D702 PolarHBondContact NE2-OD2 2.86Å
126L84.6Confident84.5Confident50 Ų5028.8 Ų28.826%0.26215%0.152SC..Hα-helixtrans-80-27.1179.9-62.6176.5000113.2V9 V70 L122 L123 P128 D129 A130V9-L126 HydrophobicContact CG2-CD1 3.62Å; V70-L126 HydrophobicContact CG1-CB 4.2Å; V70-L126 HydrophobicContact CG1-CD1 4.07Å; V70-L126 HydrophobicContact CG2-CB 3.75Å; L122-L126 HydrophobicContact CD1-CD1 4Å; L122-L126 HydrophobicContact CD1-CG 4.25Å; L122-L126 HydrophobicContact CG-CD1 4.12Å; L122-L126 PolarHBondContact O-N 3.12Å; L123-L126 PolarHBondContact O-N 3.25Å; L126-P128 VanDerWaalsContact C-CD 3.46Å; L126-D129 PolarHBondContact O-N 3.42Å; L126-A130 PolarHBondContact O-N 3.03Å
127G85.8Confident84.7Confident2 Ų232.5 Ų32.52%0.02117%0.165CC..Hα-helixtrans-53.4-42.4-170.500000114.9G66 L123 A130 L131G66-G127 CarbonylContact C-O 3.53Å; G66-G127 VanDerWaalsContact CA-O 3.25Å; G66-G127 WeakPolarHBondContact CA-O 3.34Å; L123-G127 WeakPolarHBondContact O-CA 3.47Å; L123-G127 PolarHBondContact O-N 2.92Å; G127-A130 PolarHBondContact O-N 2.6Å; G127-L131 WeakPolarHBondContact O-CB 3.24Å; G127-L131 PolarHBondContact O-N 3.32Å
128P83.3Confident85.2Confident5 Ų530.9 Ų30.93%0.03216%0.157CC..Hα-helixtrans-82.6-17.1-174.510.74.1000114S124 Q125 L126 L132 R705S124-P128 WeakPolarHBondContact O-CD 3.35Å; Q125-P128 WeakPolarHBondContact O-CD 3.38Å; L126-P128 VanDerWaalsContact C-CD 3.46Å; P128-L132 WeakPolarHBondContact O-CB 3.42Å; P128-L132 PolarHBondContact O-N 2.79Å; P128-R705 VanDerWaalsContact CB-NH1 3.3Å
129D81.4Confident85.4Confident83 Ų8328 Ų2844%0.44415%0.15SC..Hα-helixtrans-71-41.4168.4-66.1-8.9000110.1L126 L132 T133 R705L126-D129 PolarHBondContact O-N 3.42Å; D129-L132 PolarHBondContact O-N 3.17Å; D129-T133 WeakPolarHBondContact O-CB 3.2Å; D129-T133 PolarHBondContact O-N 3.31Å; D129-T133 PolarHBondContact O-OG1 3.22Å; D129-R705 IonicContact OD1-CZ 2.98Å; D129-R705 IonicContact OD1-NH2 3.53Å; D129-R705 PolarHBondContact OD1-NH2 2.99Å
130A86.4Confident85.6Confident9 Ų930.1 Ų30.17%0.07416%0.163CC..Hα-helixtrans-64.4-44173.900000111.2Q69 V70 L126 G127 T133 M134Q69-A130 HydrophobicContact CB-CB 4Å; Q69-A130 HydrophobicContact CG-CB 3.86Å; V70-A130 HydrophobicContact CG2-CB 3.67Å; L126-A130 PolarHBondContact O-N 3.03Å; G127-A130 PolarHBondContact O-N 2.6Å; A130-T133 PolarHBondContact O-N 3.1Å; A130-M134 WeakPolarHBondContact O-CB 3.45Å; A130-M134 PolarHBondContact O-N 2.96Å
131L88.2Confident85.7Confident6 Ų635.1 Ų35.13%0.03120%0.199CC..Hα-helixtrans-57.1-50.2173.3-178.758.1000111.4S62 G127 T133 M134 I135S62-L131 WeakPolarHBondContact O-CD1 3.48Å; S62-L131 WeakPolarHBondContact O-CD2 3.5Å; G127-L131 WeakPolarHBondContact O-CB 3.24Å; G127-L131 PolarHBondContact O-N 3.32Å; L131-T133 VanDerWaalsContact C-N 3.35Å; L131-T133 PolarHBondContact O-N 3.2Å; L131-M134 HydrophobicContact CD1-CE 3.55Å; L131-M134 WeakPolarHBondContact O-CB 3.47Å; L131-M134 PolarHBondContact O-N 3.3Å; L131-I135 HydrophobicContact CD1-CD1 3.81Å; L131-I135 HydrophobicContact CD1-CG1 4.2Å; L131-I135 HydrophobicContact CG-CD1 3.74Å; L131-I135 HydrophobicContact CG-CG1 4.49Å; L131-I135 WeakPolarHBondContact O-CG1 3.44Å; L131-I135 PolarHBondContact O-N 3.18Å
132L85.3Confident86.1Confident1 Ų140 Ų401%0.00522%0.218CC..Hα-helixtrans-59.2-47.9179.4177.768.7000110.8P128 D129 M134 I135 L136 V150 I151 E154 W202P128-L132 WeakPolarHBondContact O-CB 3.42Å; P128-L132 PolarHBondContact O-N 2.79Å; D129-L132 PolarHBondContact O-N 3.17Å; L132-M134 VanDerWaalsContact C-N 3.32Å; L132-M134 PolarHBondContact O-N 2.88Å; L132-I135 PolarHBondContact O-N 3.48Å; L132-L136 HydrophobicContact CD1-CD1 4.03Å; L132-L136 HydrophobicContact CD1-CG 4.11Å; L132-L136 HydrophobicContact CD2-CD1 4.24Å; L132-L136 HydrophobicContact CG-CD1 3.75Å; L132-L136 HydrophobicContact CG-CG 4.23Å; L132-L136 VanDerWaalsContact O-CB 3.26Å; L132-L136 WeakPolarHBondContact O-CB 3.47Å; L132-L136 VanDerWaalsContact O-CG 3.28Å; L132-L136 WeakPolarHBondContact O-CG 3.46Å; L132-L136 PolarHBondContact O-N 2.97Å; L132-V150 HydrophobicContact CD1-CG1 4.33Å; L132-I151 HydrophobicContact CD1-CB 4.33Å; L132-I151 HydrophobicContact CD1-CG1 3.89Å; L132-E154 HydrophobicContact CD1-CB 4.1Å; L132-E154 HydrophobicContact CD1-CG 3.95Å; L132-E154 HydrophobicContact CD2-CB 3.78Å; L132-E154 HydrophobicContact CD2-CG 3.69Å; L132-E154 HydrophobicContact CG-CG 4.24Å; L132-W202 HydrophobicContact CD2-CH2 3.32Å; L132-W202 HydrophobicContact CD2-CZ2 3.29Å; L132-W202 HydrophobicContact CD2-CZ3 4.32Å
133T84.8Confident86.3Confident26 Ų2640.2 Ų40.216%0.1622%0.218CC..Hα-helixtrans-60.6-42.9179-55.10000111.3D129 A130 L131 I135 L136 R137 F178D129-T133 WeakPolarHBondContact O-CB 3.2Å; D129-T133 PolarHBondContact O-N 3.31Å; D129-T133 PolarHBondContact O-OG1 3.22Å; A130-T133 PolarHBondContact O-N 3.1Å; L131-T133 VanDerWaalsContact C-N 3.35Å; L131-T133 PolarHBondContact O-N 3.2Å; T133-I135 PolarHBondContact O-N 3.1Å; T133-L136 PolarHBondContact O-N 3.41Å; T133-R137 VanDerWaalsContact O-CG 3.31Å; T133-R137 WeakPolarHBondContact O-CG 3.41Å; T133-R137 PolarHBondContact O-N 3.17Å; T133-F178 HydrophobicContact CG2-CZ 4.26Å
134M89.1Confident86.3Confident12 Ų1242.6 Ų42.66%0.05923%0.234CC..Hα-helixtrans-61.1-42.8175.3-177.7-173.168.800112.2Q69 N85 F86 A130 L131 L132 R137Q69-M134 HydrophobicContact CB-SD 4.41Å; Q69-M134 HydrophobicContact CG-CB 4.01Å; Q69-M134 HydrophobicContact CG-CG 4.49Å; Q69-M134 HydrophobicContact CG-SD 4.25Å; Q69-M134 PolarHBondContact OE1-SD 2.88Å; N85-M134 HydrophobicContact CB-CG 3.75Å; N85-M134 HydrophobicContact CB-SD 4.24Å; F86-M134 HydrophobicContact CB-SD 4.26Å; A130-M134 WeakPolarHBondContact O-CB 3.45Å; A130-M134 PolarHBondContact O-N 2.96Å; L131-M134 HydrophobicContact CD1-CE 3.55Å; L131-M134 WeakPolarHBondContact O-CB 3.47Å; L131-M134 PolarHBondContact O-N 3.3Å; L132-M134 VanDerWaalsContact C-N 3.32Å; L132-M134 PolarHBondContact O-N 2.88Å; M134-R137 PolarHBondContact O-N 3.29Å
135I89.4Confident86.4Confident1 Ų145.1 Ų45.11%0.00526%0.257CS..Hα-helixtrans-66.9-42.8177.4-67.8167.4000111L131 L132 T133 R137 K138 D147 V150 I151L131-I135 HydrophobicContact CD1-CD1 3.81Å; L131-I135 HydrophobicContact CD1-CG1 4.2Å; L131-I135 HydrophobicContact CG-CD1 3.74Å; L131-I135 HydrophobicContact CG-CG1 4.49Å; L131-I135 WeakPolarHBondContact O-CG1 3.44Å; L131-I135 PolarHBondContact O-N 3.18Å; L132-I135 PolarHBondContact O-N 3.48Å; T133-I135 PolarHBondContact O-N 3.1Å; I135-R137 VanDerWaalsContact C-N 3.26Å; I135-R137 PolarHBondContact O-N 2.8Å; I135-K138 VanDerWaalsContact O-CB 3.22Å; I135-K138 WeakPolarHBondContact O-CB 3.41Å; I135-K138 WeakPolarHBondContact O-CG 3.4Å; I135-K138 PolarHBondContact O-N 2.7Å; I135-D147 WeakPolarHBondContact CG1-OD1 3.41Å; I135-D147 HydrophobicContact CG2-CB 3.59Å; I135-V150 HydrophobicContact CD1-CB 3.91Å; I135-V150 HydrophobicContact CD1-CG1 3.8Å; I135-V150 HydrophobicContact CD1-CG2 4.25Å; I135-I151 HydrophobicContact CG2-CD1 3.81Å; I135-I151 HydrophobicContact CG2-CG1 4Å
136L87.2Confident86.4Confident4 Ų447 Ų472%0.02127%0.266CS..Hα-helixtrans-64-30.6180-81.1176.4000112.5L132 T133 K138 R143 I151 F178 L250L132-L136 HydrophobicContact CD1-CD1 4.03Å; L132-L136 HydrophobicContact CD1-CG 4.11Å; L132-L136 HydrophobicContact CD2-CD1 4.24Å; L132-L136 HydrophobicContact CG-CD1 3.75Å; L132-L136 HydrophobicContact CG-CG 4.23Å; L132-L136 VanDerWaalsContact O-CB 3.26Å; L132-L136 WeakPolarHBondContact O-CB 3.47Å; L132-L136 VanDerWaalsContact O-CG 3.28Å; L132-L136 WeakPolarHBondContact O-CG 3.46Å; L132-L136 PolarHBondContact O-N 2.97Å; T133-L136 PolarHBondContact O-N 3.41Å; L136-K138 PolarHBondContact O-N 3.35Å; L136-R143 PolarHBondContact O-NH2 3.01Å; L136-I151 HydrophobicContact CD2-CD1 3.99Å; L136-I151 HydrophobicContact CD2-CG1 4.07Å; L136-I151 HydrophobicContact CD2-CG2 4.36Å; L136-I151 HydrophobicContact CG-CG1 4.44Å; L136-F178 HydrophobicContact CB-CB 3.92Å; L136-F178 HydrophobicContact CB-CD2 4.07Å; L136-F178 HydrophobicContact CB-CG 4.17Å; L136-F178 HydrophobicContact CD1-CD2 4.2Å; L136-F178 VanDerWaalsContact O-CB 3.26Å; L136-F178 WeakPolarHBondContact O-CB 3.35Å; L136-L250 HydrophobicContact CD1-CD2 3.69Å; L136-L250 HydrophobicContact CD2-CD2 4Å; L136-L250 HydrophobicContact CG-CD2 4.45Å
137R86.4Confident86.6Confident90 Ų9045.5 Ų45.534%0.3426%0.258SS..THydrogen-bonded Turntrans-66.9-20.2171-70.8170-169.4163.84.6113.4D73 L84 N85 T133 M134 I135 F178D73-R137 IonicContact OD1-CZ 3.45Å; D73-R137 IonicContact OD1-NH1 3.96Å; D73-R137 PolarHBondContact OD1-NH1 3.14Å; D73-R137 VanDerWaalsContact OD1-NH1 3.15Å; D73-R137 IonicContact OD1-NH2 2.77Å; D73-R137 PolarHBondContact OD1-NH2 3.22Å; L84-R137 PolarHBondContact O-NH1 3.34Å; N85-R137 WeakPolarHBondContact OD1-CD 3.48Å; N85-R137 PolarHBondContact OD1-NH1 3.29Å; T133-R137 VanDerWaalsContact O-CG 3.31Å; T133-R137 WeakPolarHBondContact O-CG 3.41Å; T133-R137 PolarHBondContact O-N 3.17Å; M134-R137 PolarHBondContact O-N 3.29Å; I135-R137 VanDerWaalsContact C-N 3.26Å; I135-R137 PolarHBondContact O-N 2.8Å; R137-F178 HydrophobicContact CG-CD1 4.25Å
138K88.2Confident86.7Confident56 Ų5647.7 Ų47.724%0.24327%0.269CS..SBendtrans-70.1144.9174.7-57.9176.9-176.1171.30110I135 L136 R143 D147I135-K138 VanDerWaalsContact O-CB 3.22Å; I135-K138 WeakPolarHBondContact O-CB 3.41Å; I135-K138 WeakPolarHBondContact O-CG 3.4Å; I135-K138 PolarHBondContact O-N 2.7Å; L136-K138 PolarHBondContact O-N 3.35Å; K138-R143 HydrophobicContact CB-CG 4.32Å; K138-R143 PolarHBondContact O-NH2 2.94Å; K138-D147 IonicContact NZ-OD1 2.8Å; K138-D147 PolarHBondContact NZ-OD1 2.79Å; K138-D147 IonicContact NZ-OD2 2.76Å; K138-D147 PolarHBondContact NZ-OD2 3.31Å
139C86.1Confident86.7Confident65 Ų6553.2 Ų53.244%0.43929%0.294SS..  trans-58.1140.8168.5-64.30000110S141 Q142C139-S141 PolarHBondContact O-N 3.09Å; C139-S141 VanDerWaalsContact O-N 3.09Å; C139-Q142 HydrophobicContact CB-CG 4.2Å; C139-Q142 PolarHBondContact O-N 3.33Å
140P89.3Confident86.8Confident49 Ų4951 Ų5132%0.31828%0.283SS..G310 helixtrans-46.5-41177.6-34.538.9000114.3Q142 R143 A174 V177P140-Q142 PolarHBondContact O-N 3.07Å; P140-R143 PolarHBondContact O-N 2.84Å; P140-A174 WeakPolarHBondContact CB-O 3.5Å; P140-V177 HydrophobicContact CG-CG2 4.14Å
141S87.8Confident86.9Confident113 Ų11350.6 Ų50.679%0.7928%0.28SS*.G310 helixtrans-69.7-12.9179.756.60000115.6C139C139-S141 PolarHBondContact O-N 3.09Å; C139-S141 VanDerWaalsContact O-N 3.09Å
142Q88.1Confident86.8Confident136 Ų13652 Ų5264%0.63629%0.285SS*.G310 helixtrans-103.5-0.6-177.7-63.8178.2-5.100112.9C139 P140C139-Q142 HydrophobicContact CB-CG 4.2Å; C139-Q142 PolarHBondContact O-N 3.33Å; P140-Q142 PolarHBondContact O-N 3.07Å
143R89.2Confident86.5Confident19 Ų1956.2 Ų56.27%0.07231%0.305CS..  trans-76.9133.1-179.6-66-177.9-176.6150.49.7110.5L136 K138 P140 D147 I148 A173 L176L136-R143 PolarHBondContact O-NH2 3.01Å; K138-R143 HydrophobicContact CB-CG 4.32Å; K138-R143 PolarHBondContact O-NH2 2.94Å; P140-R143 PolarHBondContact O-N 2.84Å; R143-D147 WeakPolarHBondContact CA-OD2 3.37Å; R143-D147 HydrophobicContact CB-CB 3.9Å; R143-D147 HydrophobicContact CG-CB 4.35Å; R143-I148 HydrophobicContact CB-CG1 4.12Å; R143-A173 PolarHBondContact NH1-O 2.86Å; R143-A173 VanDerWaalsContact NH1-O 3.14Å; R143-L176 PolarHBondContact NH1-O 3.09Å; R143-L176 PolarHBondContact NH2-O 3.32Å
144S87.5Confident86.3Confident53 Ų5356.2 Ų56.237%0.37130%0.303SS..  trans-75.1169.6170.271.30000111.4E146 D147 I148S144-E146 VanDerWaalsContact C-N 3.25Å; S144-E146 PolarHBondContact O-N 3.29Å; S144-E146 PolarHBondContact OG-N 3.1Å; S144-D147 PolarHBondContact N-OD2 3.41Å; S144-D147 WeakPolarHBondContact O-CB 3.49Å; S144-D147 PolarHBondContact O-N 3.2Å; S144-D147 VanDerWaalsContact OG-CG 3.26Å; S144-D147 PolarHBondContact OG-N 3.24Å; S144-D147 PolarHBondContact OG-OD2 2.78Å; S144-I148 WeakPolarHBondContact O-CG1 3.36Å; S144-I148 PolarHBondContact O-N 3.25Å; S144-I148 VanDerWaalsContact O-N 3.07Å
145A84.5Confident85.9Confident82 Ų8255.8 Ų55.868%0.67830%0.301SS*.Hα-helixtrans-59.2-38.3172.100000112.1I148 E149A145-I148 PolarHBondContact O-N 2.87Å; A145-E149 PolarHBondContact O-N 3.17Å
146E82.6Confident85.1Confident125 Ų12558.4 Ų58.458%0.58432%0.315SS*.Hα-helixtrans-64.9-39.2174.9-63179.6-171.800111.9S144 I148 E149 V150S144-E146 VanDerWaalsContact C-N 3.25Å; S144-E146 PolarHBondContact O-N 3.29Å; S144-E146 PolarHBondContact OG-N 3.1Å; E146-I148 VanDerWaalsContact C-N 3.34Å; E146-I148 PolarHBondContact O-N 3.04Å; E146-E149 PolarHBondContact O-N 3.05Å; E146-V150 WeakPolarHBondContact O-CG2 3.17Å; E146-V150 PolarHBondContact O-N 3.07Å
147D87.1Confident84.4Confident18 Ų1863.3 Ų63.310%0.09634%0.337CS..Hα-helixtrans-61.6-43.8176.1-73.3-31.2000111I135 K138 R143 S144 V150 I151I135-D147 WeakPolarHBondContact CG1-OD1 3.41Å; I135-D147 HydrophobicContact CG2-CB 3.59Å; K138-D147 IonicContact NZ-OD1 2.8Å; K138-D147 PolarHBondContact NZ-OD1 2.79Å; K138-D147 IonicContact NZ-OD2 2.76Å; K138-D147 PolarHBondContact NZ-OD2 3.31Å; R143-D147 WeakPolarHBondContact CA-OD2 3.37Å; R143-D147 HydrophobicContact CB-CB 3.9Å; R143-D147 HydrophobicContact CG-CB 4.35Å; S144-D147 PolarHBondContact N-OD2 3.41Å; S144-D147 WeakPolarHBondContact O-CB 3.49Å; S144-D147 PolarHBondContact O-N 3.2Å; S144-D147 VanDerWaalsContact OG-CG 3.26Å; S144-D147 PolarHBondContact OG-N 3.24Å; S144-D147 PolarHBondContact OG-OD2 2.78Å; D147-V150 PolarHBondContact O-N 3.46Å; D147-I151 WeakPolarHBondContact O-CG1 3.27Å; D147-I151 PolarHBondContact O-N 3.32Å; D147-I151 VanDerWaalsContact O-N 3.12Å
148I88.1Confident83.9Confident48 Ų4859.7 Ų59.725%0.24633%0.325CS..Hα-helixtrans-65.1-41.3178.3-64.8168.6000110.4R143 S144 A145 E146 V150 I151 Y152 A173 A174R143-I148 HydrophobicContact CB-CG1 4.12Å; S144-I148 WeakPolarHBondContact O-CG1 3.36Å; S144-I148 PolarHBondContact O-N 3.25Å; S144-I148 VanDerWaalsContact O-N 3.07Å; A145-I148 PolarHBondContact O-N 2.87Å; E146-I148 VanDerWaalsContact C-N 3.34Å; E146-I148 PolarHBondContact O-N 3.04Å; I148-V150 PolarHBondContact O-N 2.67Å; I148-I151 PolarHBondContact O-N 3.45Å; I148-Y152 WeakPolarHBondContact O-CB 3.24Å; I148-Y152 PolarHBondContact O-N 2.88Å; I148-A173 HydrophobicContact CG2-CB 3.9Å; I148-A174 HydrophobicContact CD1-CB 4.22Å
149E83.9Confident83.2Confident122 Ų12265 Ų6557%0.5735%0.348SS*.Hα-helixtrans-62.4-41.7177-171.1168.9-163.300111.7A145 E146 Y152 E153A145-E149 PolarHBondContact O-N 3.17Å; E146-E149 PolarHBondContact O-N 3.05Å; E149-Y152 PolarHBondContact O-N 3.29Å; E149-E153 WeakPolarHBondContact O-CG 3.49Å; E149-E153 PolarHBondContact O-N 3.37Å
150V84.6Confident82.9Confident35 Ų3562.1 Ų62.121%0.21233%0.33CS..Hα-helixtrans-61.3-45.6174.7173.10000111.6L132 I135 E146 D147 I148 Y152 E154L132-V150 HydrophobicContact CD1-CG1 4.33Å; I135-V150 HydrophobicContact CD1-CB 3.91Å; I135-V150 HydrophobicContact CD1-CG1 3.8Å; I135-V150 HydrophobicContact CD1-CG2 4.25Å; E146-V150 WeakPolarHBondContact O-CG2 3.17Å; E146-V150 PolarHBondContact O-N 3.07Å; D147-V150 PolarHBondContact O-N 3.46Å; I148-V150 PolarHBondContact O-N 2.67Å; V150-Y152 VanDerWaalsContact C-N 3.35Å; V150-E154 WeakPolarHBondContact O-CG 3.48Å; V150-E154 PolarHBondContact O-N 3.36Å
151I87.9Confident82.3Confident2 Ų259.8 Ų59.81%0.0131%0.314CS..Hα-helixtrans-62.7-44.6176.4-62.9164.9000110.4L132 I135 L136 D147 I148 E153 E154 L155 A173 L176L132-I151 HydrophobicContact CD1-CB 4.33Å; L132-I151 HydrophobicContact CD1-CG1 3.89Å; I135-I151 HydrophobicContact CG2-CD1 3.81Å; I135-I151 HydrophobicContact CG2-CG1 4Å; L136-I151 HydrophobicContact CD2-CD1 3.99Å; L136-I151 HydrophobicContact CD2-CG1 4.07Å; L136-I151 HydrophobicContact CD2-CG2 4.36Å; L136-I151 HydrophobicContact CG-CG1 4.44Å; D147-I151 WeakPolarHBondContact O-CG1 3.27Å; D147-I151 PolarHBondContact O-N 3.32Å; D147-I151 VanDerWaalsContact O-N 3.12Å; I148-I151 PolarHBondContact O-N 3.45Å; I151-E153 PolarHBondContact O-N 2.8Å; I151-E154 PolarHBondContact O-N 2.73Å; I151-L155 HydrophobicContact CG2-CD1 4.12Å; I151-L155 HydrophobicContact CG2-CG 4.2Å; I151-L155 WeakPolarHBondContact O-CG 3.5Å; I151-L155 PolarHBondContact O-N 2.98Å; I151-A173 HydrophobicContact CB-CB 3.96Å; I151-A173 WeakPolarHBondContact CD1-O 3.35Å; I151-A173 HydrophobicContact CG2-CB 3.76Å; I151-L176 HydrophobicContact CG2-CD1 4.2Å
152Y85.4Confident81.5Confident34 Ų3457.1 Ų57.113%0.13330%0.299CS..Hα-helixtrans-58.9-46.7-179.8169.2-98000112.2I148 E149 V150 E154 L155 L156 R169 K170I148-Y152 WeakPolarHBondContact O-CB 3.24Å; I148-Y152 PolarHBondContact O-N 2.88Å; E149-Y152 PolarHBondContact O-N 3.29Å; V150-Y152 VanDerWaalsContact C-N 3.35Å; Y152-E154 VanDerWaalsContact C-N 3.26Å; Y152-E154 PolarHBondContact O-N 3.49Å; Y152-L155 WeakPolarHBondContact O-CB 3.31Å; Y152-L155 PolarHBondContact O-N 2.88Å; Y152-L156 HydrophobicContact CE1-CD1 4.24Å; Y152-L156 HydrophobicContact CE1-CD2 4.38Å; Y152-L156 HydrophobicContact CE1-CG 4.46Å; Y152-L156 HydrophobicContact CE2-CD2 4.38Å; Y152-L156 PolarHBondContact O-N 3.49Å; Y152-R169 HydrophobicContact CD2-CB 3.95Å; Y152-R169 HydrophobicContact CE2-CB 3.85Å; Y152-K170 HydrophobicContact CD2-CB 4.3Å; Y152-K170 HydrophobicContact CD2-CG 3.46Å; Y152-K170 VanDerWaalsContact CD2-CG 3.46Å; Y152-K170 HydrophobicContact CE2-CD 4.47Å; Y152-K170 HydrophobicContact CE2-CG 3.49Å; Y152-K170 VanDerWaalsContact CE2-CG 3.49Å; Y152-K170 HydrophobicContact CG-CG 4.15Å
153E79.7Confident80.5Confident90 Ų9056.7 Ų56.742%0.42130%0.297SS..Hα-helixtrans-60.1-36.7177.3-74.1-65.4139.600111.9E149 I151 L156 H157E149-E153 WeakPolarHBondContact O-CG 3.49Å; E149-E153 PolarHBondContact O-N 3.37Å; I151-E153 PolarHBondContact O-N 2.8Å; E153-L156 WeakPolarHBondContact O-CB 3.25Å; E153-L156 PolarHBondContact O-N 2.95Å; E153-H157 PolarHBondContact O-CE1 3.17Å; E153-H157 PolarHBondContact O-ND1 3.38Å
154E79.6Confident80Confident26 Ų2657.2 Ų57.212%0.12130%0.301CS..Hα-helixtrans-73.5-36.9177.1-65.3-69.2163.500111.6L132 V150 I151 Y152 L156 H157 R705L132-E154 HydrophobicContact CD1-CB 4.1Å; L132-E154 HydrophobicContact CD1-CG 3.95Å; L132-E154 HydrophobicContact CD2-CB 3.78Å; L132-E154 HydrophobicContact CD2-CG 3.69Å; L132-E154 HydrophobicContact CG-CG 4.24Å; V150-E154 WeakPolarHBondContact O-CG 3.48Å; V150-E154 PolarHBondContact O-N 3.36Å; I151-E154 PolarHBondContact O-N 2.73Å; Y152-E154 VanDerWaalsContact C-N 3.26Å; Y152-E154 PolarHBondContact O-N 3.49Å; E154-L156 PolarHBondContact O-N 3.05Å; E154-H157 WeakPolarHBondContact O-CB 3.48Å; E154-H157 PolarHBondContact O-N 3.41Å; E154-R705 IonicContact OE1-CZ 3.71Å; E154-R705 VanDerWaalsContact OE1-CZ 3.29Å; E154-R705 IonicContact OE1-NH1 3.77Å; E154-R705 PolarHBondContact OE1-NH1 3.28Å; E154-R705 IonicContact OE1-NH2 3.12Å; E154-R705 PolarHBondContact OE1-NH2 2.9Å
155L81.2Confident79.3Confident3 Ų356.2 Ų56.22%0.01629%0.293CS..Hα-helixtrans-60.7-24.8173.4-71.1175.9000113.2I151 Y152 H157 V158 A161 R169 L172 A173 L176 L250I151-L155 HydrophobicContact CG2-CD1 4.12Å; I151-L155 HydrophobicContact CG2-CG 4.2Å; I151-L155 WeakPolarHBondContact O-CG 3.5Å; I151-L155 PolarHBondContact O-N 2.98Å; Y152-L155 WeakPolarHBondContact O-CB 3.31Å; Y152-L155 PolarHBondContact O-N 2.88Å; L155-H157 PolarHBondContact O-N 3.36Å; L155-V158 HydrophobicContact CD2-CG2 4.4Å; L155-V158 PolarHBondContact O-N 3.46Å; L155-A161 HydrophobicContact CD2-CB 4.47Å; L155-R169 WeakPolarHBondContact CD1-O 3.48Å; L155-L172 HydrophobicContact CD1-CB 4.28Å; L155-A173 HydrophobicContact CD1-CB 4.07Å; L155-L176 HydrophobicContact CD1-CD1 3.66Å; L155-L176 HydrophobicContact CD2-CD1 3.81Å; L155-L176 HydrophobicContact CG-CD1 4.21Å; L155-L250 HydrophobicContact CD2-CD1 4.42Å
156L73.1Confident78.8Confident57 Ų5754.1 Ų54.130%0.29827%0.274SS..THydrogen-bonded Turntrans-61-22.9173-61.7178.1000112.8Y152 E153 E154 R169Y152-L156 HydrophobicContact CE1-CD1 4.24Å; Y152-L156 HydrophobicContact CE1-CD2 4.38Å; Y152-L156 HydrophobicContact CE1-CG 4.46Å; Y152-L156 HydrophobicContact CE2-CD2 4.38Å; Y152-L156 PolarHBondContact O-N 3.49Å; E153-L156 WeakPolarHBondContact O-CB 3.25Å; E153-L156 PolarHBondContact O-N 2.95Å; E154-L156 PolarHBondContact O-N 3.05Å; L156-R169 VanDerWaalsContact CD2-NH1 3.27Å
157H71.9Confident78.6Confident106 Ų10650 Ų5049%0.49126%0.259SS..THydrogen-bonded Turntrans-101.2-7-176.6-54.190.7000112.9E153 E154 L155E153-H157 PolarHBondContact O-CE1 3.17Å; E153-H157 PolarHBondContact O-ND1 3.38Å; E154-H157 WeakPolarHBondContact O-CB 3.48Å; E154-H157 PolarHBondContact O-N 3.41Å; L155-H157 PolarHBondContact O-N 3.36Å
158V76.1Confident78.4Confident14 Ų1450.2 Ų50.29%0.08526%0.261CS..  trans-85.8121.4-179178.80000110.4L155 A160 A161 A162 I200 W202L155-V158 HydrophobicContact CD2-CG2 4.4Å; L155-V158 PolarHBondContact O-N 3.46Å; V158-A160 VanDerWaalsContact C-N 3.34Å; V158-A160 HydrophobicContact CG1-CB 4.12Å; V158-A160 PolarHBondContact O-N 3.44Å; V158-A161 HydrophobicContact CB-CB 4.24Å; V158-A161 HydrophobicContact CG1-CB 4.49Å; V158-A161 PolarHBondContact O-N 3.44Å; V158-A162 PolarHBondContact O-N 3.35Å; V158-A162 VanDerWaalsContact O-N 3.14Å; V158-I200 HydrophobicContact CG1-CG2 3.92Å; V158-W202 HydrophobicContact CG2-CZ3 3.77Å
159K74Confident78.3Confident168 Ų16849.4 Ų49.473%0.7326%0.255SS*.G310 helixtrans-55.2-45.6-179-67.9-179.6-177.8173.90112.9A161 A162K159-A161 PolarHBondContact O-N 2.89Å; K159-A161 VanDerWaalsContact O-N 3.17Å; K159-A162 VanDerWaalsContact O-CB 3.29Å; K159-A162 WeakPolarHBondContact O-CB 3.49Å; K159-A162 PolarHBondContact O-N 2.98Å
160A78.9Confident78.4Confident5 Ų548.9 Ų48.94%0.04125%0.251CS..G310 helixtrans-58-25.6175.600000114V158 H163 I200 G222 D224V158-A160 VanDerWaalsContact C-N 3.34Å; V158-A160 HydrophobicContact CG1-CB 4.12Å; V158-A160 PolarHBondContact O-N 3.44Å; A160-H163 PolarHBondContact O-CE1 2.97Å; A160-H163 PolarHBondContact O-ND1 3.33Å; A160-H163 VanDerWaalsContact O-ND1 3.12Å; A160-I200 HydrophobicContact CB-CD1 4.3Å; A160-I200 HydrophobicContact CB-CG1 4.17Å; A160-I200 HydrophobicContact CB-CG2 3.88Å; A160-G222 WeakPolarHBondContact CB-O 3.14Å; A160-G222 PolarHBondContact N-O 2.89Å; A160-G222 VanDerWaalsContact N-O 3.14Å; A160-D224 HydrophobicContact CB-CB 3.75Å
161A77.9Confident78.5Confident0 Ų051.1 Ų51.10%026%0.259CS..G310 helixtrans-97.5-6.9178.200000113.5L155 V158 K159 H163 L164 R169L155-A161 HydrophobicContact CD2-CB 4.47Å; V158-A161 HydrophobicContact CB-CB 4.24Å; V158-A161 HydrophobicContact CG1-CB 4.49Å; V158-A161 PolarHBondContact O-N 3.44Å; K159-A161 PolarHBondContact O-N 2.89Å; K159-A161 VanDerWaalsContact O-N 3.17Å; A161-H163 VanDerWaalsContact C-N 3.25Å; A161-H163 PolarHBondContact O-N 2.97Å; A161-L164 HydrophobicContact CB-CD1 4.18Å; A161-L164 WeakPolarHBondContact O-CB 3.42Å; A161-L164 PolarHBondContact O-N 3.26Å; A161-R169 PolarHBondContact O-NE 3.48Å; A161-R169 PolarHBondContact O-NH2 3.5Å
162A69.4Low78.6Confident56 Ų5651.3 Ų51.346%0.46326%0.26SS..THydrogen-bonded Turntrans-62.5-30.2-173.500000113.5V158 K159 R169V158-A162 PolarHBondContact O-N 3.35Å; V158-A162 VanDerWaalsContact O-N 3.14Å; K159-A162 VanDerWaalsContact O-CB 3.29Å; K159-A162 WeakPolarHBondContact O-CB 3.49Å; K159-A162 PolarHBondContact O-N 2.98Å; A162-R169 PolarHBondContact O-NH2 3.09Å
163H68.9Low78.8Confident128 Ų12849.7 Ų49.759%0.59325%0.253SS*.THydrogen-bonded Turntrans-85.5-8.3178.868-83.1000113.8A160 A161A160-H163 PolarHBondContact O-CE1 2.97Å; A160-H163 PolarHBondContact O-ND1 3.33Å; A160-H163 VanDerWaalsContact O-ND1 3.12Å; A161-H163 VanDerWaalsContact C-N 3.25Å; A161-H163 PolarHBondContact O-N 2.97Å
164L77.3Confident79.3Confident30 Ų3046.8 Ų46.816%0.15725%0.245CC..SBendtrans-83.1145.9-178.8-55.1178.5000110.7A161 V168 R169 L172 W198A161-L164 HydrophobicContact CB-CD1 4.18Å; A161-L164 WeakPolarHBondContact O-CB 3.42Å; A161-L164 PolarHBondContact O-N 3.26Å; L164-V168 HydrophobicContact CB-CB 4.27Å; L164-V168 HydrophobicContact CB-CG1 4.02Å; L164-V168 HydrophobicContact CD1-CG1 4.06Å; L164-V168 HydrophobicContact CD2-CG1 4.25Å; L164-V168 HydrophobicContact CG-CG1 4.35Å; L164-R169 HydrophobicContact CB-CG 4.01Å; L164-R169 PolarHBondContact O-NE 2.91Å; L164-R169 VanDerWaalsContact O-NE 3.15Å; L164-R169 PolarHBondContact O-NH2 3.09Å; L164-L172 HydrophobicContact CD1-CD1 3.38Å; L164-W198 HydrophobicContact CD1-CH2 4.18Å
165S73.4Confident79.9Confident31 Ų3146 Ų4622%0.21724%0.242CC..  trans-66.6160175.573.40000111.7S167 V168 R169S165-S167 PolarHBondContact O-N 3.17Å; S165-V168 PolarHBondContact O-N 2.93Å; S165-V168 WeakPolarHBondContact OG-CG2 3.24Å; S165-V168 PolarHBondContact OG-N 2.84Å; S165-R169 WeakPolarHBondContact O-CG 3.22Å; S165-R169 PolarHBondContact O-N 3.36Å
166S74Confident80.4Confident38 Ų3845.9 Ų45.927%0.26624%0.241SC..Hα-helixtrans-57.5-38.3178.2-56.70000112.1R169 K170 E752S166-R169 PolarHBondContact O-N 3.32Å; S166-K170 WeakPolarHBondContact O-CG 3.47Å; S166-K170 PolarHBondContact O-N 3.2Å; S166-K170 VanDerWaalsContact O-N 3.1Å; S166-E752 PolarHBondContact OG-OE1 2.98Å
167S77.6Confident81.3Confident40 Ų4045 Ų4528%0.2824%0.238SC..Hα-helixtrans-64.1-46.8176.7-51.20000111.9S165 R169 K170 E171 E282S165-S167 PolarHBondContact O-N 3.17Å; S167-R169 VanDerWaalsContact C-N 3.35Å; S167-R169 PolarHBondContact O-N 2.89Å; S167-K170 PolarHBondContact O-N 3.18Å; S167-E171 PolarHBondContact O-N 2.94Å; S167-E282 WeakPolarHBondContact CB-OE1 3.33Å; S167-E282 PolarHBondContact OG-OE1 3.06Å
168V84.1Confident82.2Confident21 Ų2141.4 Ų41.413%0.12722%0.221CC..Hα-helixtrans-60.7-44.8177.3173.40000110.7L164 S165 K170 E171 L172 I260 V264L164-V168 HydrophobicContact CB-CB 4.27Å; L164-V168 HydrophobicContact CB-CG1 4.02Å; L164-V168 HydrophobicContact CD1-CG1 4.06Å; L164-V168 HydrophobicContact CD2-CG1 4.25Å; L164-V168 HydrophobicContact CG-CG1 4.35Å; S165-V168 PolarHBondContact O-N 2.93Å; S165-V168 WeakPolarHBondContact OG-CG2 3.24Å; S165-V168 PolarHBondContact OG-N 2.84Å; V168-K170 VanDerWaalsContact C-N 3.32Å; V168-K170 PolarHBondContact O-N 3.23Å; V168-E171 PolarHBondContact O-N 2.71Å; V168-L172 HydrophobicContact CG1-CD1 3.86Å; V168-L172 HydrophobicContact CG1-CG 4.13Å; V168-L172 WeakPolarHBondContact O-CB 3.21Å; V168-L172 VanDerWaalsContact O-CG 3.25Å; V168-L172 WeakPolarHBondContact O-CG 3.42Å; V168-L172 PolarHBondContact O-N 2.89Å; V168-I260 HydrophobicContact CG1-CG2 4.27Å; V168-V264 HydrophobicContact CG2-CG2 3.6Å
169R86.1Confident82.9Confident32 Ų3242.9 Ų42.912%0.12123%0.227CC..Hα-helixtrans-62-38.2178.6-67.7-176-157.3140.95.4112.5Y152 L155 L156 A161 A162 L164 S165 S166 S167 L172 A173Y152-R169 HydrophobicContact CD2-CB 3.95Å; Y152-R169 HydrophobicContact CE2-CB 3.85Å; L155-R169 WeakPolarHBondContact CD1-O 3.48Å; L156-R169 VanDerWaalsContact CD2-NH1 3.27Å; A161-R169 PolarHBondContact O-NE 3.48Å; A161-R169 PolarHBondContact O-NH2 3.5Å; A162-R169 PolarHBondContact O-NH2 3.09Å; L164-R169 HydrophobicContact CB-CG 4.01Å; L164-R169 PolarHBondContact O-NE 2.91Å; L164-R169 VanDerWaalsContact O-NE 3.15Å; L164-R169 PolarHBondContact O-NH2 3.09Å; S165-R169 WeakPolarHBondContact O-CG 3.22Å; S165-R169 PolarHBondContact O-N 3.36Å; S166-R169 PolarHBondContact O-N 3.32Å; S167-R169 VanDerWaalsContact C-N 3.35Å; S167-R169 PolarHBondContact O-N 2.89Å; R169-L172 PolarHBondContact O-N 3.36Å; R169-A173 WeakPolarHBondContact O-CB 3.47Å; R169-A173 PolarHBondContact O-N 3.41Å
170K84.8Confident83.7Confident111 Ų11138.2 Ų38.248%0.48322%0.216SC..Hα-helixtrans-65.1-45.6175.9-75.6-177.1178.7-1750112Y152 S166 S167 V168 L172 A173 A174Y152-K170 HydrophobicContact CD2-CB 4.3Å; Y152-K170 HydrophobicContact CD2-CG 3.46Å; Y152-K170 VanDerWaalsContact CD2-CG 3.46Å; Y152-K170 HydrophobicContact CE2-CD 4.47Å; Y152-K170 HydrophobicContact CE2-CG 3.49Å; Y152-K170 VanDerWaalsContact CE2-CG 3.49Å; Y152-K170 HydrophobicContact CG-CG 4.15Å; S166-K170 WeakPolarHBondContact O-CG 3.47Å; S166-K170 PolarHBondContact O-N 3.2Å; S166-K170 VanDerWaalsContact O-N 3.1Å; S167-K170 PolarHBondContact O-N 3.18Å; V168-K170 VanDerWaalsContact C-N 3.32Å; V168-K170 PolarHBondContact O-N 3.23Å; K170-L172 VanDerWaalsContact C-N 3.33Å; K170-L172 PolarHBondContact O-N 3.32Å; K170-A173 WeakPolarHBondContact O-CB 3.33Å; K170-A173 PolarHBondContact O-N 3.43Å; K170-A174 PolarHBondContact O-N 2.81Å
171E88.1Confident84.4Confident82 Ų8240.1 Ų40.138%0.38322%0.224SC..Hα-helixtrans-62.8-41.5175.2-73.3-62.2144.300111.6S167 V168 A173 A174 V175 I260S167-E171 PolarHBondContact O-N 2.94Å; V168-E171 PolarHBondContact O-N 2.71Å; E171-A173 PolarHBondContact O-N 2.91Å; E171-A174 WeakPolarHBondContact O-CB 3.25Å; E171-A174 PolarHBondContact O-N 3.44Å; E171-V175 PolarHBondContact O-N 2.76Å; E171-I260 HydrophobicContact CB-CD1 4.03Å; E171-I260 HydrophobicContact CB-CG1 3.98Å; E171-I260 HydrophobicContact CB-CG2 4.1Å
172L89.7Confident84.9Confident5 Ų544.7 Ų44.73%0.02625%0.251CS..Hα-helixtrans-60-46.3174-75.2177.8000111.8L155 L164 V168 R169 K170 A174 V175 L176 W198 V252 I260L155-L172 HydrophobicContact CD1-CB 4.28Å; L164-L172 HydrophobicContact CD1-CD1 3.38Å; V168-L172 HydrophobicContact CG1-CD1 3.86Å; V168-L172 HydrophobicContact CG1-CG 4.13Å; V168-L172 WeakPolarHBondContact O-CB 3.21Å; V168-L172 VanDerWaalsContact O-CG 3.25Å; V168-L172 WeakPolarHBondContact O-CG 3.42Å; V168-L172 PolarHBondContact O-N 2.89Å; R169-L172 PolarHBondContact O-N 3.36Å; K170-L172 VanDerWaalsContact C-N 3.33Å; K170-L172 PolarHBondContact O-N 3.32Å; L172-A174 PolarHBondContact O-N 2.84Å; L172-A174 VanDerWaalsContact O-N 3.13Å; L172-V175 HydrophobicContact CD2-CG2 4.42Å; L172-V175 PolarHBondContact O-N 3.38Å; L172-L176 HydrophobicContact CB-CD1 4.2Å; L172-L176 HydrophobicContact CB-CG 4.37Å; L172-L176 WeakPolarHBondContact O-CB 3.36Å; L172-L176 WeakPolarHBondContact O-CD1 3.4Å; L172-L176 WeakPolarHBondContact O-CG 3.38Å; L172-L176 PolarHBondContact O-N 3.3Å; L172-W198 HydrophobicContact CD1-CZ3 4.1Å; L172-W198 HydrophobicContact CD2-CZ3 4.19Å; L172-V252 HydrophobicContact CD2-CG1 4.19Å; L172-V252 HydrophobicContact CD2-CG2 3.72Å; L172-I260 HydrophobicContact CD2-CD1 3.9Å; L172-I260 HydrophobicContact CG-CD1 4.42Å
173A89.7Confident86.1Confident0 Ų049.2 Ų49.20%026%0.26CS..Hα-helixtrans-54.6-34177.100000112.5R143 I148 I151 L155 R169 K170 E171R143-A173 PolarHBondContact NH1-O 2.86Å; R143-A173 VanDerWaalsContact NH1-O 3.14Å; I148-A173 HydrophobicContact CG2-CB 3.9Å; I151-A173 HydrophobicContact CB-CB 3.96Å; I151-A173 WeakPolarHBondContact CD1-O 3.35Å; I151-A173 HydrophobicContact CG2-CB 3.76Å; L155-A173 HydrophobicContact CD1-CB 4.07Å; R169-A173 WeakPolarHBondContact O-CB 3.47Å; R169-A173 PolarHBondContact O-N 3.41Å; K170-A173 WeakPolarHBondContact O-CB 3.33Å; K170-A173 PolarHBondContact O-N 3.43Å; E171-A173 PolarHBondContact O-N 2.91Å
174A89.9Confident87.3Confident30 Ų3046 Ų4625%0.24825%0.252CS..Hα-helixtrans-73.8-27.517700000114P140 I148 K170 E171 L172P140-A174 WeakPolarHBondContact CB-O 3.5Å; I148-A174 HydrophobicContact CD1-CB 4.22Å; K170-A174 PolarHBondContact O-N 2.81Å; E171-A174 WeakPolarHBondContact O-CB 3.25Å; E171-A174 PolarHBondContact O-N 3.44Å; L172-A174 PolarHBondContact O-N 2.84Å; L172-A174 VanDerWaalsContact O-N 3.13Å
175V91.9Very high88Confident10 Ų1047 Ų476%0.06127%0.27CS..Hα-helixtrans-111.3-18.3-173.6-57.80000115.8E171 L172 V177 V252 D256 I260E171-V175 PolarHBondContact O-N 2.76Å; L172-V175 HydrophobicContact CD2-CG2 4.42Å; L172-V175 PolarHBondContact O-N 3.38Å; V175-V177 PolarHBondContact O-N 2.88Å; V175-V252 HydrophobicContact CG2-CG1 4.28Å; V175-D256 HydrophobicContact CB-CB 4.17Å; V175-D256 HydrophobicContact CG1-CB 4.23Å; V175-D256 HydrophobicContact CG2-CB 4.2Å; V175-I260 HydrophobicContact CG1-CD1 4.49Å; V175-I260 HydrophobicContact CG2-CD1 3.61Å
176L91.9Very high89.1Confident0 Ų047.7 Ų47.70%027%0.273CS..  trans-54.7130.6-173.5-80.9159.5000111.3R143 I151 L155 L172 L250 V252R143-L176 PolarHBondContact NH1-O 3.09Å; R143-L176 PolarHBondContact NH2-O 3.32Å; I151-L176 HydrophobicContact CG2-CD1 4.2Å; L155-L176 HydrophobicContact CD1-CD1 3.66Å; L155-L176 HydrophobicContact CD2-CD1 3.81Å; L155-L176 HydrophobicContact CG-CD1 4.21Å; L172-L176 HydrophobicContact CB-CD1 4.2Å; L172-L176 HydrophobicContact CB-CG 4.37Å; L172-L176 WeakPolarHBondContact O-CB 3.36Å; L172-L176 WeakPolarHBondContact O-CD1 3.4Å; L172-L176 WeakPolarHBondContact O-CG 3.38Å; L172-L176 PolarHBondContact O-N 3.3Å; L176-L250 HydrophobicContact CD1-CD1 4.5Å; L176-L250 HydrophobicContact CD2-CB 3.78Å; L176-V252 HydrophobicContact CD2-CG2 3.46Å; L176-V252 VanDerWaalsContact CD2-CG2 3.46Å; L176-V252 HydrophobicContact CG-CG2 4.32Å
177V91.9Very high90.1Very high37 Ų3749.3 Ų49.322%0.22428%0.281CS..EExtended strand (participates in β ladder)trans-104.1131.4177.1-179.60000109P140 V175 L250 R251P140-V177 HydrophobicContact CG-CG2 4.14Å; V175-V177 PolarHBondContact O-N 2.88Å; V177-L250 CarbonylContact O-C 3.54Å; V177-L250 WeakPolarHBondContact O-CA 3.48Å; V177-R251 HydrophobicContact CB-CB 4.43Å; V177-R251 PolarHBondContact N-O 3.35Å; V177-R251 PolarHBondContact O-N 2.96Å
178F90.7Very high90.9Very high32 Ų3248.5 Ų48.514%0.1427%0.274CS..EExtended strand (participates in β ladder)trans-84.3129.2173.7-174.2-100.6000110.9T133 L136 R137 H248 L250T133-F178 HydrophobicContact CG2-CZ 4.26Å; L136-F178 HydrophobicContact CB-CB 3.92Å; L136-F178 HydrophobicContact CB-CD2 4.07Å; L136-F178 HydrophobicContact CB-CG 4.17Å; L136-F178 HydrophobicContact CD1-CD2 4.2Å; L136-F178 VanDerWaalsContact O-CB 3.26Å; L136-F178 WeakPolarHBondContact O-CB 3.35Å; R137-F178 HydrophobicContact CG-CD1 4.25Å; F178-H248 HydrophobicContact CE2-CB 3.87Å; F178-H248 HydrophobicContact CZ-CB 3.83Å; F178-H248 AromaticContact CZ-CG 3.76Å; F178-L250 HydrophobicContact CD2-CD2 4.09Å
179E91.6Very high91.4Very high44 Ų4448.5 Ų48.521%0.20627%0.272CS..EExtended strand (participates in β ladder)trans-129.3130178.9-171.2172.6136.900110H181 H248 F249 R251E179-H181 IonicContact OE1-CD2 3.83Å; E179-H181 IonicContact OE1-CE1 3Å; E179-H181 IonicContact OE1-NE2 2.58Å; E179-H181 PolarHBondContact OE1-NE2 2.76Å; E179-H248 CarbonylContact O-C 3.57Å; E179-H248 WeakPolarHBondContact O-CA 3.48Å; E179-F249 HydrophobicContact CB-CB 4.49Å; E179-F249 PolarHBondContact N-O 2.99Å; E179-F249 PolarHBondContact O-N 3.26Å; E179-R251 WeakPolarHBondContact OE2-CD 3.48Å; E179-R251 IonicContact OE2-NE 3.37Å; E179-R251 PolarHBondContact OE2-NE 3.41Å; E179-R251 VanDerWaalsContact OE2-NE 3.15Å
180S90.2Very high91.8Very high71 Ų7149.2 Ų49.250%0.49728%0.282SS..EExtended strand (participates in β ladder)trans-126.2141.5-179.364.20000111.6C247S180-C247 WeakPolarHBondContact CA-O 3.49Å
181H92.7Very high92.1Very high45 Ų4546.8 Ų46.821%0.20827%0.272CS..EExtended strand (participates in β ladder)trans-133125.6-178.1-73.7-82.6000109.5E179 L242 N246 C247 F249E179-H181 IonicContact OE1-CD2 3.83Å; E179-H181 IonicContact OE1-CE1 3Å; E179-H181 IonicContact OE1-NE2 2.58Å; E179-H181 PolarHBondContact OE1-NE2 2.76Å; H181-L242 HydrophobicContact CB-CD2 3.43Å; H181-L242 VanDerWaalsContact CB-CD2 3.43Å; H181-N246 CarbonylContact O-C 3.07Å; H181-N246 WeakPolarHBondContact O-CA 3.07Å; H181-N246 PolarHBondContact O-N 3.39Å; H181-C247 PolarHBondContact N-O 3.35Å; H181-C247 PolarHBondContact O-N 3.11Å; H181-F249 AromaticContact CD2-CD2 3.87Å; H181-F249 AromaticContact CD2-CE2 3.76Å
182V89.8Confident92.1Very high95 Ų9545.3 Ų45.358%0.57628%0.279SS*.  trans-82.4-36.2-169.8-179.20000112.5D245 N246V182-D245 CarbonylContact O-C 3.55Å; V182-D245 VanDerWaalsContact O-CA 3.25Å; V182-D245 WeakPolarHBondContact O-CA 3.38Å; V182-D245 VanDerWaalsContact O-CB 3.27Å; V182-D245 WeakPolarHBondContact O-CB 3.38Å; V182-N246 PolarHBondContact O-N 2.86Å
183K94.2Very high92.3Very high151 Ų15148.5 Ų48.566%0.65730%0.296SS*.SBendtrans-106.8131.7-168.6-63.5-176.2179.8-178.20112.7T186 L242K183-T186 WeakPolarHBondContact O-CB 3.24Å; K183-T186 PolarHBondContact O-N 2.85Å; K183-T186 PolarHBondContact O-OG1 3.33Å; K183-L242 WeakPolarHBondContact O-CD2 3.41Å
184S94Very high92.3Very high60 Ų6057.2 Ų57.242%0.4233%0.334SS..THydrogen-bonded Turntrans-56.3151.3163.452.60000111.2T186 E244 D245S184-T186 PolarHBondContact O-N 3.03Å; S184-E244 WeakPolarHBondContact CA-O 3.18Å; S184-D245 VanDerWaalsContact CB-OD1 3.24Å; S184-D245 WeakPolarHBondContact CB-OD1 3.29Å; S184-D245 PolarHBondContact N-OD1 2.63Å; S184-D245 PolarHBondContact OG-OD1 2.89Å
185G91.9Very high92.3Very high52 Ų5256.1 Ų56.154%0.53633%0.325SS..THydrogen-bonded Turntrans78.6-4.5-175.200000114.9V187 I241 L242G185-V187 PolarHBondContact O-N 3.29Å; G185-I241 WeakPolarHBondContact O-CG2 3.37Å; G185-L242 PolarHBondContact N-O 3.46Å
186T95.9Very high92.4Very high46 Ų4659.4 Ų59.428%0.28235%0.345SS..  trans-64129173.8-57.40000110.2K183 S184 I241 L242K183-T186 WeakPolarHBondContact O-CB 3.24Å; K183-T186 PolarHBondContact O-N 2.85Å; K183-T186 PolarHBondContact O-OG1 3.33Å; S184-T186 PolarHBondContact O-N 3.03Å; T186-I241 WeakPolarHBondContact O-CA 3.48Å; T186-L242 WeakPolarHBondContact O-CD1 3.45Å; T186-L242 PolarHBondContact O-N 3.06Å
187V95.5Very high92.5Very high71 Ų7159.4 Ų59.443%0.4335%0.345SS..EExtended strand (participates in β ladder)trans-85.8120.7176.7-176.80000109G185 T239 I241G185-V187 PolarHBondContact O-N 3.29Å; V187-T239 HydrophobicContact CG1-CG2 3.85Å; V187-I241 HydrophobicContact CG2-CD1 4.06Å; V187-I241 HydrophobicContact CG2-CG1 4.1Å
188L94.4Very high92.5Very high24 Ų2458 Ų5813%0.12634%0.336CS..EExtended strand (participates in β ladder)trans-77.5-44.1178.6-131.381.6000111.5Y199 F225 I240 L242 F249L188-Y199 HydrophobicContact CD2-CD1 3.76Å; L188-Y199 HydrophobicContact CD2-CD2 4.39Å; L188-Y199 HydrophobicContact CD2-CE1 3.72Å; L188-Y199 HydrophobicContact CD2-CE2 4.36Å; L188-Y199 HydrophobicContact CD2-CG 4.11Å; L188-F225 HydrophobicContact CD2-CE2 3.76Å; L188-F225 HydrophobicContact CD2-CZ 3.66Å; L188-I240 HydrophobicContact CB-CB 4.16Å; L188-I240 HydrophobicContact CB-CG2 4.11Å; L188-I240 PolarHBondContact N-O 2.98Å; L188-L242 HydrophobicContact CD1-CD1 3.45Å; L188-L242 VanDerWaalsContact CD1-CD1 3.45Å; L188-F249 HydrophobicContact CD1-CD2 4.36Å; L188-F249 HydrophobicContact CD1-CE2 3.82Å; L188-F249 HydrophobicContact CD1-CZ 4.15Å
189F95.1Very high92.7Very high21 Ų2157 Ų579%0.09233%0.332CS..EExtended strand (participates in β ladder)trans-161.8159.3169.954.5-104.1000109.5Y199 F225 R236 A238 T239 I240F189-Y199 HydrophobicContact CD1-CE2 4.07Å; F189-Y199 HydrophobicContact CE1-CD2 4.04Å; F189-Y199 AromaticContact CE1-CE2 3.87Å; F189-Y199 HydrophobicContact CE1-CE2 3.87Å; F189-F225 AromaticContact CE1-CD2 3.9Å; F189-F225 HydrophobicContact CE1-CD2 3.9Å; F189-F225 AromaticContact CE1-CE2 3.73Å; F189-F225 HydrophobicContact CE1-CE2 3.73Å; F189-F225 AromaticContact CZ-CD2 3.84Å; F189-F225 HydrophobicContact CZ-CD2 3.84Å; F189-F225 HydrophobicContact CZ-CE2 4.1Å; F189-R236 HydrophobicContact CD2-CB 4.12Å; F189-R236 HydrophobicContact CD2-CG 3.61Å; F189-R236 HydrophobicContact CE2-CB 4.28Å; F189-R236 HydrophobicContact CE2-CG 3.92Å; F189-R236 HydrophobicContact CG-CG 4.28Å; F189-A238 WeakPolarHBondContact CE2-O 3.48Å; F189-T239 WeakPolarHBondContact O-CA 3.5Å; F189-T239 WeakPolarHBondContact O-CG2 3.34Å; F189-I240 HydrophobicContact CD2-CG1 4.22Å; F189-I240 HydrophobicContact CE1-CB 4.4Å; F189-I240 HydrophobicContact CE1-CG1 3.92Å; F189-I240 HydrophobicContact CE2-CB 4.27Å; F189-I240 HydrophobicContact CE2-CG1 3.45Å; F189-I240 VanDerWaalsContact CE2-CG1 3.45Å; F189-I240 HydrophobicContact CZ-CB 4.17Å; F189-I240 HydrophobicContact CZ-CD1 4.4Å; F189-I240 HydrophobicContact CZ-CG1 3.28Å; F189-I240 PolarHBondContact O-N 3.47Å
190S94.1Very high92.7Very high47 Ų4755 Ų5533%0.32932%0.322SS..  trans-102.9152.8-178.8-56.60000112.2G192 D193 R236S190-G192 PolarHBondContact O-N 3.35Å; S190-D193 WeakPolarHBondContact CA-OD2 3.46Å; S190-D193 WeakPolarHBondContact CB-OD2 3.49Å; S190-D193 PolarHBondContact N-OD2 3.4Å; S190-D193 VanDerWaalsContact O-CB 3.29Å; S190-D193 WeakPolarHBondContact O-CB 3.43Å; S190-D193 VanDerWaalsContact O-CG 3.3Å; S190-D193 PolarHBondContact O-N 2.86Å; S190-D193 VanDerWaalsContact O-N 3.14Å; S190-R236 WeakPolarHBondContact O-CB 3.36Å
191Q91.3Very high92.7Very high60 Ų6051.7 Ų51.728%0.2830%0.299SS..THydrogen-bonded Turntrans-56.7133.2167.9-177.2174.3-0.300109.8H211 R236 A237 T239Q191-H211 PolarHBondContact OE1-CD2 3.39Å; Q191-R236 WeakPolarHBondContact CA-O 3.33Å; Q191-R236 WeakPolarHBondContact CG-O 3.27Å; Q191-A237 VanDerWaalsContact CD-O 3.31Å; Q191-A237 PolarHBondContact NE2-O 3.35Å; Q191-T239 PolarHBondContact N-OG1 3.2Å
192G88.5Confident92.4Very high50 Ų5052.1 Ų52.152%0.51530%0.299SS..THydrogen-bonded Turntrans92.3-13.9-175.600000114.7S190 R236S190-G192 PolarHBondContact O-N 3.35Å; G192-R236 PolarHBondContact N-O 3.23Å
193D92.2Very high92.3Very high72 Ų7251.5 Ų51.539%0.38529%0.288SS..SBendtrans-65.7157.7175.5-68.8-14.7000111.3S190 P235 R236S190-D193 WeakPolarHBondContact CA-OD2 3.46Å; S190-D193 WeakPolarHBondContact CB-OD2 3.49Å; S190-D193 PolarHBondContact N-OD2 3.4Å; S190-D193 VanDerWaalsContact O-CB 3.29Å; S190-D193 WeakPolarHBondContact O-CB 3.43Å; S190-D193 VanDerWaalsContact O-CG 3.3Å; S190-D193 PolarHBondContact O-N 2.86Å; S190-D193 VanDerWaalsContact O-N 3.14Å; D193-P235 CarbonylContact O-C 3.49Å; D193-P235 WeakPolarHBondContact O-CA 3.42Å; D193-R236 HydrophobicContact CB-CG 4.07Å; D193-R236 WeakPolarHBondContact O-CG 3.4Å; D193-R236 PolarHBondContact O-N 2.96Å
194K90.9Very high92.1Very high184 Ų18444.8 Ų44.880%0.826%0.262SS*.BIsolated β-bridgetrans-67.9135.8171.7-68.2-177179.2-1790110.1T196K194-T196 PolarHBondContact O-N 3.02Å; K194-T196 VanDerWaalsContact O-N 3.16Å
195G89.8Confident92.1Very high6 Ų642.2 Ų42.26%0.06224%0.244CC..  trans-68.7108.6173.900000111.8L230 K254G195-L230 WeakPolarHBondContact O-CD2 3.39Å; G195-K254 WeakPolarHBondContact O-CD 3.35Å
196T92.8Very high92.3Very high79 Ų7939.8 Ų39.849%0.48522%0.219SC..  trans-107.4-29.4-177.850.10000114.5K194 K254K194-T196 PolarHBondContact O-N 3.02Å; K194-T196 VanDerWaalsContact O-N 3.16Å; T196-K254 VanDerWaalsContact O-CB 3.25Å; T196-K254 WeakPolarHBondContact O-CB 3.38Å; T196-K254 PolarHBondContact O-N 3.31Å
197S93.9Very high92.2Very high0 Ų038.6 Ų38.60%021%0.211CC..EExtended strand (participates in β ladder)trans-148.8157.2-174.8-44.30000112.9R236 R251 V252 D253S197-R236 PolarHBondContact O-NH1 3.38Å; S197-R236 PolarHBondContact O-NH2 3.41Å; S197-R251 VanDerWaalsContact CB-CG 3.47Å; S197-R251 PolarHBondContact OG-NH1 2.86Å; S197-V252 CarbonylContact C-O 3.46Å; S197-V252 VanDerWaalsContact CA-O 3.24Å; S197-V252 WeakPolarHBondContact CA-O 3.49Å; S197-V252 WeakPolarHBondContact CB-O 3.35Å; S197-D253 PolarHBondContact OG-OD1 3.25Å
198W93.6Very high92.1Very high7 Ų736.2 Ų36.23%0.02720%0.196CC..EExtended strand (participates in β ladder)trans-105.5142.7168.717255.5000108.6L164 L172 I200 D224 Q227 L230 R251 V252 F257L164-W198 HydrophobicContact CD1-CH2 4.18Å; L172-W198 HydrophobicContact CD1-CZ3 4.1Å; L172-W198 HydrophobicContact CD2-CZ3 4.19Å; W198-I200 HydrophobicContact CH2-CD1 3.74Å; W198-I200 HydrophobicContact CH2-CG1 4.08Å; W198-I200 HydrophobicContact CZ2-CD1 4.08Å; W198-I200 HydrophobicContact CZ2-CG1 3.93Å; W198-I200 HydrophobicContact CZ3-CD1 4.21Å; W198-D224 HydrophobicContact CZ2-CB 4.03Å; W198-D224 PolarHBondContact NE1-OD2 3.35Å; W198-Q227 HydrophobicContact CG-CB 4.41Å; W198-L230 HydrophobicContact CB-CD1 3.72Å; W198-R251 CarbonylContact O-C 3.58Å; W198-R251 WeakPolarHBondContact O-CA 3.47Å; W198-V252 HydrophobicContact CE3-CB 4.03Å; W198-V252 HydrophobicContact CE3-CG2 3.72Å; W198-V252 HydrophobicContact CZ3-CG2 4.06Å; W198-V252 PolarHBondContact N-O 2.81Å; W198-V252 PolarHBondContact O-N 3.18Å; W198-F257 HydrophobicContact CB-CD2 4.35Å; W198-F257 HydrophobicContact CD2-CE2 4.32Å; W198-F257 HydrophobicContact CE3-CD2 4.15Å; W198-F257 HydrophobicContact CE3-CE2 4.16Å; W198-F257 HydrophobicContact CG-CE2 4.5Å
199Y93.6Very high91.9Very high13 Ų1337 Ų375%0.05120%0.2CC..EExtended strand (participates in β ladder)trans-128.1138.7-172.6-63.9-96.1000111L188 F189 D224 F225 F249 L250 R251L188-Y199 HydrophobicContact CD2-CD1 3.76Å; L188-Y199 HydrophobicContact CD2-CD2 4.39Å; L188-Y199 HydrophobicContact CD2-CE1 3.72Å; L188-Y199 HydrophobicContact CD2-CE2 4.36Å; L188-Y199 HydrophobicContact CD2-CG 4.11Å; F189-Y199 HydrophobicContact CD1-CE2 4.07Å; F189-Y199 HydrophobicContact CE1-CD2 4.04Å; F189-Y199 AromaticContact CE1-CE2 3.87Å; F189-Y199 HydrophobicContact CE1-CE2 3.87Å; Y199-D224 CarbonylContact O-C 3.21Å; Y199-D224 WeakPolarHBondContact O-CA 3.37Å; Y199-D224 VanDerWaalsContact O-CB 3.31Å; Y199-D224 WeakPolarHBondContact O-CB 3.26Å; Y199-F225 VanDerWaalsContact CB-CZ 3.45Å; Y199-F225 HydrophobicContact CD2-CD2 4.25Å; Y199-F225 AromaticContact CD2-CE2 3.72Å; Y199-F225 HydrophobicContact CD2-CE2 3.72Å; Y199-F225 HydrophobicContact CD2-CZ 4.36Å; Y199-F225 HydrophobicContact CG-CD2 4.49Å; Y199-F225 AromaticContact CG-CE2 3.75Å; Y199-F225 HydrophobicContact CG-CE2 3.75Å; Y199-F225 AromaticContact CG-CZ 3.92Å; Y199-F225 HydrophobicContact CG-CZ 3.92Å; Y199-F225 PolarHBondContact N-O 2.72Å; Y199-F225 PolarHBondContact O-N 3.27Å; Y199-F249 HydrophobicContact CD1-CB 4.14Å; Y199-L250 CarbonylContact C-O 3.6Å; Y199-L250 WeakPolarHBondContact CA-O 3.44Å; Y199-R251 HydrophobicContact CD1-CB 4.07Å; Y199-R251 HydrophobicContact CD1-CG 4Å; Y199-R251 HydrophobicContact CE1-CB 4.03Å; Y199-R251 VanDerWaalsContact CE1-CD 3.42Å; Y199-R251 HydrophobicContact CE1-CG 3.62Å; Y199-R251 WeakPolarHBondContact OH-CD 3.38Å
200I91.8Very high91.6Very high2 Ų237.3 Ų37.31%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-114.3131.7167.6-55.4172.6000107.6V158 A160 W198 W202 D224 F249 L250V158-I200 HydrophobicContact CG1-CG2 3.92Å; A160-I200 HydrophobicContact CB-CD1 4.3Å; A160-I200 HydrophobicContact CB-CG1 4.17Å; A160-I200 HydrophobicContact CB-CG2 3.88Å; W198-I200 HydrophobicContact CH2-CD1 3.74Å; W198-I200 HydrophobicContact CH2-CG1 4.08Å; W198-I200 HydrophobicContact CZ2-CD1 4.08Å; W198-I200 HydrophobicContact CZ2-CG1 3.93Å; W198-I200 HydrophobicContact CZ3-CD1 4.21Å; I200-W202 PolarHBondContact O-N 3.47Å; I200-D224 HydrophobicContact CG1-CB 4.09Å; I200-F249 CarbonylContact O-C 3.51Å; I200-F249 VanDerWaalsContact O-CA 3.27Å; I200-F249 WeakPolarHBondContact O-CA 3.37Å; I200-L250 HydrophobicContact CB-CB 4.28Å; I200-L250 PolarHBondContact N-O 3.21Å; I200-L250 PolarHBondContact O-N 3.16Å
201I90.4Very high91.1Very high1 Ų141.9 Ų41.91%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-77.9106.5178.4-54.9172.5000108.4G204 V206 L219 H220 G222 E223 F225 F249I201-G204 VanDerWaalsContact CG2-O 3.31Å; I201-G204 WeakPolarHBondContact CG2-O 3.43Å; I201-V206 HydrophobicContact CD1-CG2 3.78Å; I201-L219 HydrophobicContact CD1-CB 3.51Å; I201-H220 WeakPolarHBondContact CD1-O 3.37Å; I201-G222 PolarHBondContact O-N 3.02Å; I201-E223 PolarHBondContact N-O 3.07Å; I201-F225 HydrophobicContact CD1-CD1 4.2Å; I201-F225 HydrophobicContact CD1-CE1 3.97Å; I201-F225 HydrophobicContact CG1-CD1 4.14Å; I201-F225 HydrophobicContact CG1-CE1 3.63Å; I201-F249 HydrophobicContact CG1-CD1 4.21Å; I201-F249 HydrophobicContact CG1-CE1 4.08Å; I201-F249 HydrophobicContact CG2-CE1 4.45Å
202W87.1Confident90.4Very high54 Ų5443.1 Ų43.121%0.20525%0.249CC..EExtended strand (participates in β ladder)trans-82.2-34.5176.4-173.9-102.3000111.9L132 V158 I200 E221 H248 L250L132-W202 HydrophobicContact CD2-CH2 3.32Å; L132-W202 HydrophobicContact CD2-CZ2 3.29Å; L132-W202 HydrophobicContact CD2-CZ3 4.32Å; V158-W202 HydrophobicContact CG2-CZ3 3.77Å; I200-W202 PolarHBondContact O-N 3.47Å; W202-E221 WeakPolarHBondContact O-CG 3.46Å; W202-H248 WeakPolarHBondContact CA-O 3.4Å; W202-H248 HydrophobicContact CB-CB 4.15Å; W202-H248 WeakPolarHBondContact CB-O 3.39Å; W202-H248 PolarHBondContact N-O 3.25Å; W202-L250 HydrophobicContact CB-CG 4.29Å; W202-L250 HydrophobicContact CE3-CD1 3.73Å; W202-L250 HydrophobicContact CE3-CG 4.18Å; W202-L250 HydrophobicContact CZ3-CD1 4.23Å
203K86.4Confident89.9Confident81 Ų8149 Ų4935%0.35226%0.26SS..EExtended strand (participates in β ladder)trans-155.1137.9177.3-171.6-179.4-174.8169.70110.5C247 H248K203-C247 CarbonylContact O-C 3.5Å; K203-C247 VanDerWaalsContact O-CA 3.24Å; K203-C247 WeakPolarHBondContact O-CA 3.47Å; K203-H248 HydrophobicContact CB-CB 3.89Å; K203-H248 VanDerWaalsContact CD-CD2 3.48Å; K203-H248 WeakPolarHBondContact CD-CD2 3.43Å; K203-H248 PolarHBondContact N-O 2.61Å; K203-H248 PolarHBondContact O-N 3.11Å
204G90.4Very high89.6Confident11 Ų1147.3 Ų47.311%0.11326%0.26CS..SBendtrans94.6-157.6175.700000113I201 E221 E244I201-G204 VanDerWaalsContact CG2-O 3.31Å; I201-G204 WeakPolarHBondContact CG2-O 3.43Å; G204-E221 PolarHBondContact O-N 3.01Å; G204-E244 WeakPolarHBondContact CA-OE1 3.25Å
205S94.2Very high89.5Confident6 Ų643.3 Ų43.34%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-149.1154.4-174.154.50000112.4L219 R243 E244S205-L219 CarbonylContact C-O 3.36Å; S205-L219 WeakPolarHBondContact CA-O 3.11Å; S205-L219 VanDerWaalsContact CB-O 3.3Å; S205-L219 WeakPolarHBondContact CB-O 3.47Å; S205-R243 WeakPolarHBondContact O-CB 3.5Å; S205-R243 PolarHBondContact O-N 3.34Å; S205-E244 WeakPolarHBondContact CB-OE1 3.24Å; S205-E244 PolarHBondContact N-OE1 3.27Å; S205-E244 PolarHBondContact OG-OE1 2.64Å
206V96Very high89.5Confident0 Ų047 Ų470%027%0.267CS..EExtended strand (participates in β ladder)trans-135.9147.5-179.3-57.60000111.1I201 T218 L219 F225 I240 I241 L242 F249I201-V206 HydrophobicContact CD1-CG2 3.78Å; V206-T218 CarbonylContact O-C 3.58Å; V206-T218 WeakPolarHBondContact O-CA 3.43Å; V206-T218 WeakPolarHBondContact O-CG2 3.45Å; V206-L219 HydrophobicContact CG2-CB 3.91Å; V206-L219 HydrophobicContact CG2-CD1 4.43Å; V206-L219 PolarHBondContact N-O 3.44Å; V206-L219 PolarHBondContact O-N 2.89Å; V206-F225 HydrophobicContact CG2-CD1 4.34Å; V206-F225 HydrophobicContact CG2-CE1 3.97Å; V206-F225 HydrophobicContact CG2-CZ 4.49Å; V206-I240 HydrophobicContact CB-CG2 3.77Å; V206-I240 HydrophobicContact CG1-CG2 4.12Å; V206-I240 HydrophobicContact CG2-CG2 3.82Å; V206-I241 CarbonylContact C-O 3.55Å; V206-I241 VanDerWaalsContact CA-O 3.31Å; V206-I241 WeakPolarHBondContact CA-O 3.11Å; V206-L242 HydrophobicContact CG1-CD1 4.41Å; V206-F249 HydrophobicContact CG1-CE1 3.67Å; V206-F249 HydrophobicContact CG1-CZ 3.63Å
207N94Very high89.5Confident21 Ų2146.5 Ų46.511%0.11226%0.264CS..EExtended strand (participates in β ladder)trans-95.1134.8172.7-64.4-35.1000109.9I209 I215 T218 I241 R243N207-I209 HydrophobicContact CB-CG1 4.41Å; N207-I215 HydrophobicContact CB-CG2 4.31Å; N207-T218 PolarHBondContact OD1-OG1 2.71Å; N207-I241 PolarHBondContact N-O 2.95Å; N207-I241 PolarHBondContact O-N 3.04Å; N207-R243 PolarHBondContact OD1-NH1 2.89Å
208V93.9Very high89.4Confident21 Ų2148.1 Ų48.113%0.12727%0.274CS..EExtended strand (participates in β ladder)trans-97.3117.2173.3-173.50000108.7V216 T217 L219 A238 I240V208-V216 PolarHBondContact O-N 2.62Å; V208-T217 HydrophobicContact CB-CG2 3.87Å; V208-T217 HydrophobicContact CG2-CG2 3.7Å; V208-T217 PolarHBondContact N-O 2.89Å; V208-L219 HydrophobicContact CG2-CD1 3.8Å; V208-L219 HydrophobicContact CG2-CG 3.86Å; V208-A238 HydrophobicContact CG1-CB 3.59Å; V208-I240 HydrophobicContact CB-CD1 4.17Å; V208-I240 HydrophobicContact CG1-CD1 4.09Å; V208-I240 HydrophobicContact CG2-CD1 3.73Å
209I90.4Very high89.3Confident42 Ų4249 Ų4922%0.21528%0.279CS..EExtended strand (participates in β ladder)trans-118.6134.6-173.3-55.4-178.5000109.8N207 G214 I215 A238 T239 I241N207-I209 HydrophobicContact CB-CG1 4.41Å; I209-G214 WeakPolarHBondContact CA-O 3.49Å; I209-I215 HydrophobicContact CD1-CG1 4.25Å; I209-I215 HydrophobicContact CG1-CG1 4.02Å; I209-A238 CarbonylContact O-C 3.53Å; I209-A238 WeakPolarHBondContact O-CA 3.41Å; I209-A238 WeakPolarHBondContact O-CB 3.03Å; I209-T239 PolarHBondContact N-O 2.84Å; I209-T239 PolarHBondContact O-N 2.84Å; I209-I241 HydrophobicContact CD1-CD1 3.56Å; I209-I241 HydrophobicContact CD1-CG1 3.95Å
210T87.9Confident89.2Confident27 Ų2753.2 Ų53.217%0.16630%0.299CS..EExtended strand (participates in β ladder)trans-124.9144.6173.359.90000111.3G212 K213 G214 V216 A238T210-G212 PolarHBondContact O-N 2.89Å; T210-K213 PolarHBondContact O-N 3.4Å; T210-K213 VanDerWaalsContact O-N 3.17Å; T210-G214 PolarHBondContact N-O 3.44Å; T210-G214 PolarHBondContact O-N 2.87Å; T210-G214 VanDerWaalsContact O-N 3.1Å; T210-V216 HydrophobicContact CG2-CG2 3.81Å; T210-V216 WeakPolarHBondContact OG1-CG2 3.35Å; T210-A238 HydrophobicContact CG2-CB 3.69Å
211H83.9Confident89.1Confident142 Ų14259.2 Ų59.266%0.65733%0.327SS*.THydrogen-bonded Turntrans-58.9125.7177.7-70.9-163.1000109.7Q191 K213Q191-H211 PolarHBondContact OE1-CD2 3.39Å; H211-K213 PolarHBondContact O-N 2.96Å
212G76.5Confident88.6Confident87 Ų8759.8 Ų59.890%0.89733%0.334SS*.THydrogen-bonded Turntrans86-10.3179.700000116.1T210T210-G212 PolarHBondContact O-N 2.89Å
213K77.8Confident88.5Confident174 Ų17461.1 Ų61.176%0.75734%0.342SS*.THydrogen-bonded Turntrans-120.5-10.6175.4-57.5-178.1179.2179.90114.4T210 H211 V216T210-K213 PolarHBondContact O-N 3.4Å; T210-K213 VanDerWaalsContact O-N 3.17Å; H211-K213 PolarHBondContact O-N 2.96Å; K213-V216 HydrophobicContact CB-CG2 4.39Å
214G85.8Confident88.7Confident36 Ų3659.1 Ų59.137%0.37134%0.335SS..EExtended strand (participates in β ladder)trans70.8-143.4-176.900000111.6I209 T210 V216I209-G214 WeakPolarHBondContact CA-O 3.49Å; T210-G214 PolarHBondContact N-O 3.44Å; T210-G214 PolarHBondContact O-N 2.87Å; T210-G214 VanDerWaalsContact O-N 3.1Å; G214-V216 PolarHBondContact O-N 2.85Å
215I89.4Confident88.7Confident100 Ų10059.4 Ų59.451%0.51333%0.333SS..EExtended strand (participates in β ladder)trans-71.6114.6177.5-59.2170.4000108.7N207 I209N207-I215 HydrophobicContact CB-CG2 4.31Å; I209-I215 HydrophobicContact CD1-CG1 4.25Å; I209-I215 HydrophobicContact CG1-CG1 4.02Å
216V90.4Very high88.4Confident84 Ų8460 Ų6051%0.50934%0.34SS..EExtended strand (participates in β ladder)trans-85.3-44.5-179.9-178.60000110.9V208 T210 K213 G214V208-V216 PolarHBondContact O-N 2.62Å; T210-V216 HydrophobicContact CG2-CG2 3.81Å; T210-V216 WeakPolarHBondContact OG1-CG2 3.35Å; K213-V216 HydrophobicContact CB-CG2 4.39Å; G214-V216 PolarHBondContact O-N 2.85Å
217T91.6Very high87.8Confident68 Ų6863.5 Ų63.542%0.41736%0.357SS..EExtended strand (participates in β ladder)trans-157.2166.5178.8-168.20000110.8V208 L219V208-T217 HydrophobicContact CB-CG2 3.87Å; V208-T217 HydrophobicContact CG2-CG2 3.7Å; V208-T217 PolarHBondContact N-O 2.89Å; T217-L219 HydrophobicContact CG2-CD2 4.28Å
218T92.8Very high87Confident34 Ų3468 Ų6821%0.20938%0.38CS..EExtended strand (participates in β ladder)trans-117.4129.1172-560000108.5V206 N207 H220V206-T218 CarbonylContact O-C 3.58Å; V206-T218 WeakPolarHBondContact O-CA 3.43Å; V206-T218 WeakPolarHBondContact O-CG2 3.45Å; N207-T218 PolarHBondContact OD1-OG1 2.71Å; T218-H220 PolarHBondContact O-ND1 3.15Å
219L91.4Very high86.5Confident26 Ų2667.2 Ų67.214%0.13638%0.376CS..EExtended strand (participates in β ladder)trans-102145.3176.5-57.2175.7000110.6I201 S205 V206 V208 T217 E223 F225I201-L219 HydrophobicContact CD1-CB 3.51Å; S205-L219 CarbonylContact C-O 3.36Å; S205-L219 WeakPolarHBondContact CA-O 3.11Å; S205-L219 VanDerWaalsContact CB-O 3.3Å; S205-L219 WeakPolarHBondContact CB-O 3.47Å; V206-L219 HydrophobicContact CG2-CB 3.91Å; V206-L219 HydrophobicContact CG2-CD1 4.43Å; V206-L219 PolarHBondContact N-O 3.44Å; V206-L219 PolarHBondContact O-N 2.89Å; V208-L219 HydrophobicContact CG2-CD1 3.8Å; V208-L219 HydrophobicContact CG2-CG 3.86Å; T217-L219 HydrophobicContact CG2-CD2 4.28Å; L219-E223 WeakPolarHBondContact CA-OE2 3.24Å; L219-E223 HydrophobicContact CB-CB 4.47Å; L219-F225 HydrophobicContact CD1-CB 3.74Å; L219-F225 HydrophobicContact CD1-CD1 3.83Å; L219-F225 HydrophobicContact CD1-CG 4.11Å
220H92Very high86.2Confident100 Ų10065.5 Ų65.546%0.46337%0.368SS..EExtended strand (participates in β ladder)trans-124.5174.2-173.7-57.582.1000111.7I201 T218 G222 E223I201-H220 WeakPolarHBondContact CD1-O 3.37Å; T218-H220 PolarHBondContact O-ND1 3.15Å; H220-G222 PolarHBondContact O-N 2.88Å; H220-E223 PolarHBondContact N-OE2 2.78Å; H220-E223 WeakPolarHBondContact O-CB 3.41Å; H220-E223 PolarHBondContact O-N 2.86Å; H220-E223 VanDerWaalsContact O-N 3.08Å
221E88.1Confident85.8Confident128 Ų12868.7 Ų68.760%0.59838%0.383SS*.THydrogen-bonded Turntrans-45.8130.2175.7-172.4175.115200113.4W202 G204W202-E221 WeakPolarHBondContact O-CG 3.46Å; G204-E221 PolarHBondContact O-N 3.01Å
222G80.1Confident85.5Confident14 Ų1467.6 Ų67.614%0.14438%0.382CS..THydrogen-bonded Turntrans89.1-10.2-178.100000115.3A160 I201 H220A160-G222 WeakPolarHBondContact CB-O 3.14Å; A160-G222 PolarHBondContact N-O 2.89Å; A160-G222 VanDerWaalsContact N-O 3.14Å; I201-G222 PolarHBondContact O-N 3.02Å; H220-G222 PolarHBondContact O-N 2.88Å
223E85.4Confident85.7Confident81 Ų8169.4 Ų69.438%0.37937%0.371SS..  trans-89.2160.8173.7-59.4-176.8133.900111.8I201 L219 H220I201-E223 PolarHBondContact N-O 3.07Å; L219-E223 WeakPolarHBondContact CA-OE2 3.24Å; L219-E223 HydrophobicContact CB-CB 4.47Å; H220-E223 PolarHBondContact N-OE2 2.78Å; H220-E223 WeakPolarHBondContact O-CB 3.41Å; H220-E223 PolarHBondContact O-N 2.86Å; H220-E223 VanDerWaalsContact O-N 3.08Å
224D90.4Very high85.9Confident40 Ų4062.9 Ų62.921%0.21435%0.35CS..EExtended strand (participates in β ladder)trans-127.6160.9-178.673.8-79.3000113.2A160 W198 Y199 I200A160-D224 HydrophobicContact CB-CB 3.75Å; W198-D224 HydrophobicContact CZ2-CB 4.03Å; W198-D224 PolarHBondContact NE1-OD2 3.35Å; Y199-D224 CarbonylContact O-C 3.21Å; Y199-D224 WeakPolarHBondContact O-CA 3.37Å; Y199-D224 VanDerWaalsContact O-CB 3.31Å; Y199-D224 WeakPolarHBondContact O-CB 3.26Å; I200-D224 HydrophobicContact CG1-CB 4.09Å
225F91.7Very high86Confident16 Ų1665.4 Ų65.47%0.0736%0.36CS..EExtended strand (participates in β ladder)trans-156161.9178.259.1-90.3000113.2L188 F189 Y199 I201 V206 L219 I240 F249L188-F225 HydrophobicContact CD2-CE2 3.76Å; L188-F225 HydrophobicContact CD2-CZ 3.66Å; F189-F225 AromaticContact CE1-CD2 3.9Å; F189-F225 HydrophobicContact CE1-CD2 3.9Å; F189-F225 AromaticContact CE1-CE2 3.73Å; F189-F225 HydrophobicContact CE1-CE2 3.73Å; F189-F225 AromaticContact CZ-CD2 3.84Å; F189-F225 HydrophobicContact CZ-CD2 3.84Å; F189-F225 HydrophobicContact CZ-CE2 4.1Å; Y199-F225 VanDerWaalsContact CB-CZ 3.45Å; Y199-F225 HydrophobicContact CD2-CD2 4.25Å; Y199-F225 AromaticContact CD2-CE2 3.72Å; Y199-F225 HydrophobicContact CD2-CE2 3.72Å; Y199-F225 HydrophobicContact CD2-CZ 4.36Å; Y199-F225 HydrophobicContact CG-CD2 4.49Å; Y199-F225 AromaticContact CG-CE2 3.75Å; Y199-F225 HydrophobicContact CG-CE2 3.75Å; Y199-F225 AromaticContact CG-CZ 3.92Å; Y199-F225 HydrophobicContact CG-CZ 3.92Å; Y199-F225 PolarHBondContact N-O 2.72Å; Y199-F225 PolarHBondContact O-N 3.27Å; I201-F225 HydrophobicContact CD1-CD1 4.2Å; I201-F225 HydrophobicContact CD1-CE1 3.97Å; I201-F225 HydrophobicContact CG1-CD1 4.14Å; I201-F225 HydrophobicContact CG1-CE1 3.63Å; V206-F225 HydrophobicContact CG2-CD1 4.34Å; V206-F225 HydrophobicContact CG2-CE1 3.97Å; V206-F225 HydrophobicContact CG2-CZ 4.49Å; L219-F225 HydrophobicContact CD1-CB 3.74Å; L219-F225 HydrophobicContact CD1-CD1 3.83Å; L219-F225 HydrophobicContact CD1-CG 4.11Å; F225-I240 HydrophobicContact CD2-CD1 4.19Å; F225-I240 HydrophobicContact CD2-CG1 3.86Å; F225-I240 HydrophobicContact CD2-CG2 4.43Å; F225-I240 HydrophobicContact CE2-CB 4.3Å; F225-I240 HydrophobicContact CE2-CG1 3.97Å; F225-I240 HydrophobicContact CE2-CG2 3.84Å; F225-I240 HydrophobicContact CG-CD1 4.49Å; F225-I240 HydrophobicContact CZ-CG2 3.96Å; F225-F249 HydrophobicContact CE1-CD1 4.32Å; F225-F249 HydrophobicContact CE1-CE1 4.21Å; F225-F249 HydrophobicContact CZ-CD1 4.2Å; F225-F249 HydrophobicContact CZ-CE1 4.12Å
226G86.5Confident86.1Confident19 Ų1961 Ų6120%0.19634%0.337CS..  trans902.8173.500000115.5R236G226-R236 VanDerWaalsContact CA-NH1 3.26Å; G226-R236 PolarHBondContact O-NH1 3.12Å
227Q84.3Confident85.9Confident73 Ų7360.7 Ų60.734%0.34134%0.342SS..Hα-helixtrans-65-38.3178.757179.5-8.400114.3W198 A229 L230 L231W198-Q227 HydrophobicContact CG-CB 4.41Å; Q227-A229 VanDerWaalsContact C-N 3.32Å; Q227-A229 PolarHBondContact O-N 3.38Å; Q227-L230 WeakPolarHBondContact O-CB 3.26Å; Q227-L230 PolarHBondContact O-N 3.39Å; Q227-L231 PolarHBondContact O-N 3.22Å
228L77.5Confident85.9Confident115 Ų11558.1 Ų58.160%0.60233%0.328SS*.Hα-helixtrans-60.1-38.7-172.1-68.5172.2000113.5L230 L231 N232L228-L230 VanDerWaalsContact C-N 3.26Å; L228-L230 PolarHBondContact O-N 3.4Å; L228-L231 PolarHBondContact O-N 2.66Å; L228-N232 PolarHBondContact O-N 3.36Å; L228-N232 VanDerWaalsContact O-N 3.16Å
229A82.1Confident85.9Confident6 Ų657.3 Ų57.35%0.0532%0.323CS..Hα-helixtrans-70-25.2179.500000112.4Q227 D233 A234Q227-A229 VanDerWaalsContact C-N 3.32Å; Q227-A229 PolarHBondContact O-N 3.38Å; A229-D233 PolarHBondContact O-N 2.98Å; A229-A234 WeakPolarHBondContact CB-O 3.28Å; A229-A234 PolarHBondContact O-N 3.31Å
230L85.3Confident86.1Confident6 Ų656.2 Ų56.23%0.03132%0.318CS..Hα-helixtrans-77.2-42.3176.6-54.5-172.9000111.5G195 W198 Q227 L228 K254 F257G195-L230 WeakPolarHBondContact O-CD2 3.39Å; W198-L230 HydrophobicContact CB-CD1 3.72Å; Q227-L230 WeakPolarHBondContact O-CB 3.26Å; Q227-L230 PolarHBondContact O-N 3.39Å; L228-L230 VanDerWaalsContact C-N 3.26Å; L228-L230 PolarHBondContact O-N 3.4Å; L230-K254 HydrophobicContact CD2-CB 3.89Å; L230-K254 HydrophobicContact CD2-CD 4.19Å; L230-K254 HydrophobicContact CD2-CG 3.99Å; L230-F257 HydrophobicContact CB-CD1 3.97Å; L230-F257 HydrophobicContact CB-CE1 4.04Å; L230-F257 HydrophobicContact CD1-CB 4.09Å; L230-F257 HydrophobicContact CD1-CD1 3.87Å; L230-F257 HydrophobicContact CD1-CD2 4.13Å; L230-F257 HydrophobicContact CD1-CE1 4.32Å; L230-F257 HydrophobicContact CD1-CG 3.76Å
231L78.4Confident86.3Confident94 Ų9453.3 Ų53.349%0.49231%0.305SS..Hα-helixtrans-68.8-43.9-177.7-70.1169.9000112.5Q227 L228 F257 L261Q227-L231 PolarHBondContact O-N 3.22Å; L228-L231 PolarHBondContact O-N 2.66Å; L231-F257 HydrophobicContact CD2-CE1 3.84Å; L231-F257 HydrophobicContact CD2-CZ 4.24Å; L231-F257 HydrophobicContact CG-CE1 4.18Å; L231-F257 HydrophobicContact CG-CZ 4.44Å; L231-L261 HydrophobicContact CD2-CD1 3.88Å
232N79Confident86.6Confident118 Ų11847.3 Ų47.363%0.63128%0.277SS*.THydrogen-bonded Turntrans-952.6-172.7-63.5-14.9000113.6L228 A234L228-N232 PolarHBondContact O-N 3.36Å; L228-N232 VanDerWaalsContact O-N 3.16Å; N232-A234 HydrophobicContact CB-CB 4.03Å; N232-A234 PolarHBondContact O-N 3.42Å; N232-A234 VanDerWaalsContact O-N 3.12Å
233D80.5Confident87.2Confident125 Ų12553.1 Ų53.167%0.66830%0.295SS*.THydrogen-bonded Turntrans46.238.7-168.9-159.127.8000113.1A229 K254A229-D233 PolarHBondContact O-N 2.98Å; D233-K254 IonicContact OD1-NZ 3.69Å; D233-K254 PolarHBondContact OD1-NZ 3.21Å
234A81Confident87.6Confident37 Ų3753.4 Ų53.431%0.30630%0.296SS..  trans-106.3157.9-173.300000111.7A229 N232A229-A234 WeakPolarHBondContact CB-O 3.28Å; A229-A234 PolarHBondContact O-N 3.31Å; N232-A234 HydrophobicContact CB-CB 4.03Å; N232-A234 PolarHBondContact O-N 3.42Å; N232-A234 VanDerWaalsContact O-N 3.12Å
235P88.3Confident87.6Confident90 Ų9055.8 Ų55.858%0.58431%0.309SS*.BIsolated β-bridgetrans-59.9155.9170.4-22.934.1000112.9D193 A237D193-P235 CarbonylContact O-C 3.49Å; D193-P235 WeakPolarHBondContact O-CA 3.42Å; P235-A237 PolarHBondContact O-N 3.14Å
236R91.8Very high87.4Confident8 Ų858 Ų583%0.0332%0.322CS..  trans-57.8127.2175.3-67.6-60.8-169.1-170.22.1110.6F189 S190 Q191 G192 D193 S197 G226 A238F189-R236 HydrophobicContact CD2-CB 4.12Å; F189-R236 HydrophobicContact CD2-CG 3.61Å; F189-R236 HydrophobicContact CE2-CB 4.28Å; F189-R236 HydrophobicContact CE2-CG 3.92Å; F189-R236 HydrophobicContact CG-CG 4.28Å; S190-R236 WeakPolarHBondContact O-CB 3.36Å; Q191-R236 WeakPolarHBondContact CA-O 3.33Å; Q191-R236 WeakPolarHBondContact CG-O 3.27Å; G192-R236 PolarHBondContact N-O 3.23Å; D193-R236 HydrophobicContact CB-CG 4.07Å; D193-R236 WeakPolarHBondContact O-CG 3.4Å; D193-R236 PolarHBondContact O-N 2.96Å; S197-R236 PolarHBondContact O-NH1 3.38Å; S197-R236 PolarHBondContact O-NH2 3.41Å; G226-R236 VanDerWaalsContact CA-NH1 3.26Å; G226-R236 PolarHBondContact O-NH1 3.12Å; R236-A238 VanDerWaalsContact C-N 3.32Å
237A85.2Confident87.6Confident76 Ų7657.1 Ų57.163%0.62831%0.312SS*.SBendtrans-78.1-1617900000113.8Q191 P235Q191-A237 VanDerWaalsContact CD-O 3.31Å; Q191-A237 PolarHBondContact NE2-O 3.35Å; P235-A237 PolarHBondContact O-N 3.14Å
238A91.3Very high88Confident15 Ų1555.6 Ų55.612%0.12431%0.305CS..SBendtrans-149.4157-176.800000111.2F189 V208 I209 T210 R236F189-A238 WeakPolarHBondContact CE2-O 3.48Å; V208-A238 HydrophobicContact CG1-CB 3.59Å; I209-A238 CarbonylContact O-C 3.53Å; I209-A238 WeakPolarHBondContact O-CA 3.41Å; I209-A238 WeakPolarHBondContact O-CB 3.03Å; T210-A238 HydrophobicContact CG2-CB 3.69Å; R236-A238 VanDerWaalsContact C-N 3.32Å
239T92.8Very high88.7Confident16 Ų1650.1 Ų50.110%0.09828%0.276CS..EExtended strand (participates in β ladder)trans-89.4136.4169.4-59.90000109.3V187 F189 Q191 I209 I241V187-T239 HydrophobicContact CG1-CG2 3.85Å; F189-T239 WeakPolarHBondContact O-CA 3.5Å; F189-T239 WeakPolarHBondContact O-CG2 3.34Å; Q191-T239 PolarHBondContact N-OG1 3.2Å; I209-T239 PolarHBondContact N-O 2.84Å; I209-T239 PolarHBondContact O-N 2.84Å; T239-I241 HydrophobicContact CG2-CD1 4.18Å; T239-I241 HydrophobicContact CG2-CG1 3.87Å
240I96.8Very high89.2Confident4 Ų449.9 Ų49.92%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-110.3124.9176.3-58.8-62.6000109.5L188 F189 V206 V208 F225L188-I240 HydrophobicContact CB-CB 4.16Å; L188-I240 HydrophobicContact CB-CG2 4.11Å; L188-I240 PolarHBondContact N-O 2.98Å; F189-I240 HydrophobicContact CD2-CG1 4.22Å; F189-I240 HydrophobicContact CE1-CB 4.4Å; F189-I240 HydrophobicContact CE1-CG1 3.92Å; F189-I240 HydrophobicContact CE2-CB 4.27Å; F189-I240 HydrophobicContact CE2-CG1 3.45Å; F189-I240 VanDerWaalsContact CE2-CG1 3.45Å; F189-I240 HydrophobicContact CZ-CB 4.17Å; F189-I240 HydrophobicContact CZ-CD1 4.4Å; F189-I240 HydrophobicContact CZ-CG1 3.28Å; F189-I240 PolarHBondContact O-N 3.47Å; V206-I240 HydrophobicContact CB-CG2 3.77Å; V206-I240 HydrophobicContact CG1-CG2 4.12Å; V206-I240 HydrophobicContact CG2-CG2 3.82Å; V208-I240 HydrophobicContact CB-CD1 4.17Å; V208-I240 HydrophobicContact CG1-CD1 4.09Å; V208-I240 HydrophobicContact CG2-CD1 3.73Å; F225-I240 HydrophobicContact CD2-CD1 4.19Å; F225-I240 HydrophobicContact CD2-CG1 3.86Å; F225-I240 HydrophobicContact CD2-CG2 4.43Å; F225-I240 HydrophobicContact CE2-CB 4.3Å; F225-I240 HydrophobicContact CE2-CG1 3.97Å; F225-I240 HydrophobicContact CE2-CG2 3.84Å; F225-I240 HydrophobicContact CG-CD1 4.49Å; F225-I240 HydrophobicContact CZ-CG2 3.96Å
241I95.4Very high89.6Confident38 Ų3852 Ų5220%0.19528%0.282CS..EExtended strand (participates in β ladder)trans-126.3134.5-180-51.1-167.1000109.9G185 T186 V187 V206 N207 I209 T239 R243G185-I241 WeakPolarHBondContact O-CG2 3.37Å; T186-I241 WeakPolarHBondContact O-CA 3.48Å; V187-I241 HydrophobicContact CG2-CD1 4.06Å; V187-I241 HydrophobicContact CG2-CG1 4.1Å; V206-I241 CarbonylContact C-O 3.55Å; V206-I241 VanDerWaalsContact CA-O 3.31Å; V206-I241 WeakPolarHBondContact CA-O 3.11Å; N207-I241 PolarHBondContact N-O 2.95Å; N207-I241 PolarHBondContact O-N 3.04Å; I209-I241 HydrophobicContact CD1-CD1 3.56Å; I209-I241 HydrophobicContact CD1-CG1 3.95Å; T239-I241 HydrophobicContact CG2-CD1 4.18Å; T239-I241 HydrophobicContact CG2-CG1 3.87Å; I241-R243 PolarHBondContact O-N 3.09Å
242L95.8Very high90.3Very high3 Ų347.6 Ų47.62%0.01626%0.259CS..EExtended strand (participates in β ladder)trans-59.9131173.3-90.668.6000111.4H181 K183 G185 T186 L188 V206 C247 F249H181-L242 HydrophobicContact CB-CD2 3.43Å; H181-L242 VanDerWaalsContact CB-CD2 3.43Å; K183-L242 WeakPolarHBondContact O-CD2 3.41Å; G185-L242 PolarHBondContact N-O 3.46Å; T186-L242 WeakPolarHBondContact O-CD1 3.45Å; T186-L242 PolarHBondContact O-N 3.06Å; L188-L242 HydrophobicContact CD1-CD1 3.45Å; L188-L242 VanDerWaalsContact CD1-CD1 3.45Å; V206-L242 HydrophobicContact CG1-CD1 4.41Å; L242-C247 HydrophobicContact CD2-CB 3.74Å; L242-C247 HydrophobicContact CG-CB 4Å; L242-F249 HydrophobicContact CD1-CE2 4.06Å; L242-F249 HydrophobicContact CD1-CZ 3.92Å; L242-F249 HydrophobicContact CG-CZ 4.29Å
243R92.9Very high91Very high135 Ų13544.1 Ų44.151%0.50924%0.24SC..  trans-87.8-30.4177.1-178.2178.6178.288.17.1112.2S205 N207 I241S205-R243 WeakPolarHBondContact O-CB 3.5Å; S205-R243 PolarHBondContact O-N 3.34Å; N207-R243 PolarHBondContact OD1-NH1 2.89Å; I241-R243 PolarHBondContact O-N 3.09Å
244E93.2Very high91.5Very high87 Ų8740.7 Ų40.741%0.40722%0.219SC..SBendtrans-134.5169.5-176.966.4-167.8125.800112.5S184 G204 S205 C247S184-E244 WeakPolarHBondContact CA-O 3.18Å; G204-E244 WeakPolarHBondContact CA-OE1 3.25Å; S205-E244 WeakPolarHBondContact CB-OE1 3.24Å; S205-E244 PolarHBondContact N-OE1 3.27Å; S205-E244 PolarHBondContact OG-OE1 2.64Å; E244-C247 PolarHBondContact O-SG 2.82Å; E244-C247 VanDerWaalsContact O-SG 3.37Å
245D91.1Very high91.9Very high90 Ų9045.4 Ų45.448%0.48124%0.235SC..SBendtrans-78.7151.5178.5-65.8-21.4000110.9V182 S184V182-D245 CarbonylContact O-C 3.55Å; V182-D245 VanDerWaalsContact O-CA 3.25Å; V182-D245 WeakPolarHBondContact O-CA 3.38Å; V182-D245 VanDerWaalsContact O-CB 3.27Å; V182-D245 WeakPolarHBondContact O-CB 3.38Å; S184-D245 VanDerWaalsContact CB-OD1 3.24Å; S184-D245 WeakPolarHBondContact CB-OD1 3.29Å; S184-D245 PolarHBondContact N-OD1 2.63Å; S184-D245 PolarHBondContact OG-OD1 2.89Å
246N87.2Confident92.1Very high64 Ų6442.7 Ų42.734%0.34222%0.215SC..SBendtrans59.845.6177-53.9-69000114.6H181 V182 H248H181-N246 CarbonylContact O-C 3.07Å; H181-N246 WeakPolarHBondContact O-CA 3.07Å; H181-N246 PolarHBondContact O-N 3.39Å; V182-N246 PolarHBondContact O-N 2.86Å; N246-H248 PolarHBondContact O-CE1 2.9Å
247C90.9Very high91.9Very high0 Ų043.6 Ų43.60%022%0.219CC..EExtended strand (participates in β ladder)trans-73.2145.7171-610000111.3S180 H181 K203 L242 E244 F249S180-C247 WeakPolarHBondContact CA-O 3.49Å; H181-C247 PolarHBondContact N-O 3.35Å; H181-C247 PolarHBondContact O-N 3.11Å; K203-C247 CarbonylContact O-C 3.5Å; K203-C247 VanDerWaalsContact O-CA 3.24Å; K203-C247 WeakPolarHBondContact O-CA 3.47Å; L242-C247 HydrophobicContact CD2-CB 3.74Å; L242-C247 HydrophobicContact CG-CB 4Å; E244-C247 PolarHBondContact O-SG 2.82Å; E244-C247 VanDerWaalsContact O-SG 3.37Å; C247-F249 HydrophobicContact CB-CE2 3.64Å; C247-F249 HydrophobicContact CB-CZ 3.59Å
248H91.1Very high91.9Very high40 Ų4042.5 Ų42.519%0.18520%0.203CC..EExtended strand (participates in β ladder)trans-126.7138.3177.5-54.8-22.1000109.2F178 E179 W202 K203 N246F178-H248 HydrophobicContact CE2-CB 3.87Å; F178-H248 HydrophobicContact CZ-CB 3.83Å; F178-H248 AromaticContact CZ-CG 3.76Å; E179-H248 CarbonylContact O-C 3.57Å; E179-H248 WeakPolarHBondContact O-CA 3.48Å; W202-H248 WeakPolarHBondContact CA-O 3.4Å; W202-H248 HydrophobicContact CB-CB 4.15Å; W202-H248 WeakPolarHBondContact CB-O 3.39Å; W202-H248 PolarHBondContact N-O 3.25Å; K203-H248 HydrophobicContact CB-CB 3.89Å; K203-H248 VanDerWaalsContact CD-CD2 3.48Å; K203-H248 WeakPolarHBondContact CD-CD2 3.43Å; K203-H248 PolarHBondContact N-O 2.61Å; K203-H248 PolarHBondContact O-N 3.11Å; N246-H248 PolarHBondContact O-CE1 2.9Å
249F92.4Very high91.8Very high0 Ų045.7 Ų45.70%021%0.212CC..EExtended strand (participates in β ladder)trans-131.4145.4-176.7-52.9-83000110.4E179 H181 L188 Y199 I200 I201 V206 F225 L242 C247E179-F249 HydrophobicContact CB-CB 4.49Å; E179-F249 PolarHBondContact N-O 2.99Å; E179-F249 PolarHBondContact O-N 3.26Å; H181-F249 AromaticContact CD2-CD2 3.87Å; H181-F249 AromaticContact CD2-CE2 3.76Å; L188-F249 HydrophobicContact CD1-CD2 4.36Å; L188-F249 HydrophobicContact CD1-CE2 3.82Å; L188-F249 HydrophobicContact CD1-CZ 4.15Å; Y199-F249 HydrophobicContact CD1-CB 4.14Å; I200-F249 CarbonylContact O-C 3.51Å; I200-F249 VanDerWaalsContact O-CA 3.27Å; I200-F249 WeakPolarHBondContact O-CA 3.37Å; I201-F249 HydrophobicContact CG1-CD1 4.21Å; I201-F249 HydrophobicContact CG1-CE1 4.08Å; I201-F249 HydrophobicContact CG2-CE1 4.45Å; V206-F249 HydrophobicContact CG1-CE1 3.67Å; V206-F249 HydrophobicContact CG1-CZ 3.63Å; F225-F249 HydrophobicContact CE1-CD1 4.32Å; F225-F249 HydrophobicContact CE1-CE1 4.21Å; F225-F249 HydrophobicContact CZ-CD1 4.2Å; F225-F249 HydrophobicContact CZ-CE1 4.12Å; L242-F249 HydrophobicContact CD1-CE2 4.06Å; L242-F249 HydrophobicContact CD1-CZ 3.92Å; L242-F249 HydrophobicContact CG-CZ 4.29Å; C247-F249 HydrophobicContact CB-CE2 3.64Å; C247-F249 HydrophobicContact CB-CZ 3.59Å
250L92.1Very high91.4Very high2 Ų245.2 Ų45.21%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-98.3121.8161.9-49.5178.2000108L136 L155 L176 V177 F178 Y199 I200 W202L136-L250 HydrophobicContact CD1-CD2 3.69Å; L136-L250 HydrophobicContact CD2-CD2 4Å; L136-L250 HydrophobicContact CG-CD2 4.45Å; L155-L250 HydrophobicContact CD2-CD1 4.42Å; L176-L250 HydrophobicContact CD1-CD1 4.5Å; L176-L250 HydrophobicContact CD2-CB 3.78Å; V177-L250 CarbonylContact O-C 3.54Å; V177-L250 WeakPolarHBondContact O-CA 3.48Å; F178-L250 HydrophobicContact CD2-CD2 4.09Å; Y199-L250 CarbonylContact C-O 3.6Å; Y199-L250 WeakPolarHBondContact CA-O 3.44Å; I200-L250 HydrophobicContact CB-CB 4.28Å; I200-L250 PolarHBondContact N-O 3.21Å; I200-L250 PolarHBondContact O-N 3.16Å; W202-L250 HydrophobicContact CB-CG 4.29Å; W202-L250 HydrophobicContact CE3-CD1 3.73Å; W202-L250 HydrophobicContact CE3-CG 4.18Å; W202-L250 HydrophobicContact CZ3-CD1 4.23Å
251R94.1Very high90.6Very high50 Ų5048.8 Ų48.819%0.18923%0.227CC..EExtended strand (participates in β ladder)trans-112.2134.9-174.6-173.6177.969.2103.724.6110.4V177 E179 S197 W198 Y199 D253V177-R251 HydrophobicContact CB-CB 4.43Å; V177-R251 PolarHBondContact N-O 3.35Å; V177-R251 PolarHBondContact O-N 2.96Å; E179-R251 WeakPolarHBondContact OE2-CD 3.48Å; E179-R251 IonicContact OE2-NE 3.37Å; E179-R251 PolarHBondContact OE2-NE 3.41Å; E179-R251 VanDerWaalsContact OE2-NE 3.15Å; S197-R251 VanDerWaalsContact CB-CG 3.47Å; S197-R251 PolarHBondContact OG-NH1 2.86Å; W198-R251 CarbonylContact O-C 3.58Å; W198-R251 WeakPolarHBondContact O-CA 3.47Å; Y199-R251 HydrophobicContact CD1-CB 4.07Å; Y199-R251 HydrophobicContact CD1-CG 4Å; Y199-R251 HydrophobicContact CE1-CB 4.03Å; Y199-R251 VanDerWaalsContact CE1-CD 3.42Å; Y199-R251 HydrophobicContact CE1-CG 3.62Å; Y199-R251 WeakPolarHBondContact OH-CD 3.38Å; R251-D253 IonicContact CZ-OD1 3.78Å; R251-D253 IonicContact CZ-OD2 3.53Å; R251-D253 IonicContact NE-OD1 3.89Å; R251-D253 IonicContact NH1-OD1 3.86Å; R251-D253 PolarHBondContact NH1-OD1 3.38Å; R251-D253 IonicContact NH1-OD2 2.73Å; R251-D253 IonicContact NH2-OD1 2.82Å; R251-D253 PolarHBondContact NH2-OD1 3.39Å; R251-D253 IonicContact NH2-OD2 2.66Å; R251-D253 PolarHBondContact NH2-OD2 3.02Å
252V93.6Very high89.8Confident1 Ų153.3 Ų53.31%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-116.8123.8170.1-173.70000108.1L172 V175 L176 S197 W198 D256 F257L172-V252 HydrophobicContact CD2-CG1 4.19Å; L172-V252 HydrophobicContact CD2-CG2 3.72Å; V175-V252 HydrophobicContact CG2-CG1 4.28Å; L176-V252 HydrophobicContact CD2-CG2 3.46Å; L176-V252 VanDerWaalsContact CD2-CG2 3.46Å; L176-V252 HydrophobicContact CG-CG2 4.32Å; S197-V252 CarbonylContact C-O 3.46Å; S197-V252 VanDerWaalsContact CA-O 3.24Å; S197-V252 WeakPolarHBondContact CA-O 3.49Å; S197-V252 WeakPolarHBondContact CB-O 3.35Å; W198-V252 HydrophobicContact CE3-CB 4.03Å; W198-V252 HydrophobicContact CE3-CG2 3.72Å; W198-V252 HydrophobicContact CZ3-CG2 4.06Å; W198-V252 PolarHBondContact N-O 2.81Å; W198-V252 PolarHBondContact O-N 3.18Å; V252-D256 HydrophobicContact CG1-CB 4.34Å; V252-F257 HydrophobicContact CG1-CB 4.04Å
253D93.3Very high89Confident46 Ų4656.1 Ų56.125%0.24626%0.26CS..EExtended strand (participates in β ladder)trans-75.7150179.9-77.6-35000112.2S197 R251 H255 D256 F257S197-D253 PolarHBondContact OG-OD1 3.25Å; R251-D253 IonicContact CZ-OD1 3.78Å; R251-D253 IonicContact CZ-OD2 3.53Å; R251-D253 IonicContact NE-OD1 3.89Å; R251-D253 IonicContact NH1-OD1 3.86Å; R251-D253 PolarHBondContact NH1-OD1 3.38Å; R251-D253 IonicContact NH1-OD2 2.73Å; R251-D253 IonicContact NH2-OD1 2.82Å; R251-D253 PolarHBondContact NH2-OD1 3.39Å; R251-D253 IonicContact NH2-OD2 2.66Å; R251-D253 PolarHBondContact NH2-OD2 3.02Å; D253-H255 PolarHBondContact O-N 3.31Å; D253-H255 VanDerWaalsContact O-N 3.16Å; D253-D256 PolarHBondContact O-N 3.06Å; D253-F257 WeakPolarHBondContact O-CB 3.28Å; D253-F257 PolarHBondContact O-N 3.07Å
254K90.6Very high88Confident52 Ų5251.3 Ų51.323%0.22625%0.246CC..Hα-helixtrans-52.4-40.8-176.5-177.6174.5-174.8177.40112.8G195 T196 L230 D233 F257 I258G195-K254 WeakPolarHBondContact O-CD 3.35Å; T196-K254 VanDerWaalsContact O-CB 3.25Å; T196-K254 WeakPolarHBondContact O-CB 3.38Å; T196-K254 PolarHBondContact O-N 3.31Å; L230-K254 HydrophobicContact CD2-CB 3.89Å; L230-K254 HydrophobicContact CD2-CD 4.19Å; L230-K254 HydrophobicContact CD2-CG 3.99Å; D233-K254 IonicContact OD1-NZ 3.69Å; D233-K254 PolarHBondContact OD1-NZ 3.21Å; K254-F257 PolarHBondContact O-N 3.34Å; K254-I258 HydrophobicContact CD-CD1 4.33Å; K254-I258 HydrophobicContact CG-CD1 3.67Å; K254-I258 HydrophobicContact CG-CG1 4.3Å; K254-I258 WeakPolarHBondContact O-CB 3.49Å; K254-I258 VanDerWaalsContact O-CG1 3.29Å; K254-I258 WeakPolarHBondContact O-CG1 3.15Å; K254-I258 PolarHBondContact O-N 3.5Å
255H90.7Very high87Confident137 Ų13753.7 Ų53.763%0.63426%0.257SS*.Hα-helixtrans-60.6-50.8178.6177.3-81.4000111D253 R259D253-H255 PolarHBondContact O-N 3.31Å; D253-H255 VanDerWaalsContact O-N 3.16Å; H255-R259 VanDerWaalsContact O-CB 3.26Å; H255-R259 WeakPolarHBondContact O-CB 3.34Å; H255-R259 PolarHBondContact O-N 3.34Å
256D91.1Very high86.1Confident33 Ų3353.2 Ų53.218%0.17627%0.266CS..Hα-helixtrans-69-38.6179.6-63.9-44.8000111.6V175 V252 D253 I258 R259 I260V175-D256 HydrophobicContact CB-CB 4.17Å; V175-D256 HydrophobicContact CG1-CB 4.23Å; V175-D256 HydrophobicContact CG2-CB 4.2Å; V252-D256 HydrophobicContact CG1-CB 4.34Å; D253-D256 PolarHBondContact O-N 3.06Å; D256-I258 PolarHBondContact O-N 3.2Å; D256-R259 PolarHBondContact O-N 3.39Å; D256-R259 IonicContact OD1-CZ 3.91Å; D256-R259 IonicContact OD1-NH1 3.75Å; D256-R259 PolarHBondContact OD1-NH1 3.34Å; D256-R259 IonicContact OD1-NH2 3.93Å; D256-I260 WeakPolarHBondContact O-CB 3.33Å; D256-I260 WeakPolarHBondContact O-CG1 3.34Å; D256-I260 PolarHBondContact O-N 2.94Å
257F87.8Confident85.6Confident26 Ų2653.2 Ų53.211%0.11427%0.265CS..Hα-helixtrans-58-50.3175.2-175.7-92.2000111.7W198 L230 L231 V252 D253 K254 L261W198-F257 HydrophobicContact CB-CD2 4.35Å; W198-F257 HydrophobicContact CD2-CE2 4.32Å; W198-F257 HydrophobicContact CE3-CD2 4.15Å; W198-F257 HydrophobicContact CE3-CE2 4.16Å; W198-F257 HydrophobicContact CG-CE2 4.5Å; L230-F257 HydrophobicContact CB-CD1 3.97Å; L230-F257 HydrophobicContact CB-CE1 4.04Å; L230-F257 HydrophobicContact CD1-CB 4.09Å; L230-F257 HydrophobicContact CD1-CD1 3.87Å; L230-F257 HydrophobicContact CD1-CD2 4.13Å; L230-F257 HydrophobicContact CD1-CE1 4.32Å; L230-F257 HydrophobicContact CD1-CG 3.76Å; L231-F257 HydrophobicContact CD2-CE1 3.84Å; L231-F257 HydrophobicContact CD2-CZ 4.24Å; L231-F257 HydrophobicContact CG-CE1 4.18Å; L231-F257 HydrophobicContact CG-CZ 4.44Å; V252-F257 HydrophobicContact CG1-CB 4.04Å; D253-F257 WeakPolarHBondContact O-CB 3.28Å; D253-F257 PolarHBondContact O-N 3.07Å; K254-F257 PolarHBondContact O-N 3.34Å; F257-L261 HydrophobicContact CD1-CD1 3.86Å; F257-L261 HydrophobicContact CE1-CD1 3.4Å; F257-L261 VanDerWaalsContact CE1-CD1 3.4Å; F257-L261 HydrophobicContact CE1-CG 4.39Å; F257-L261 HydrophobicContact CZ-CD1 3.98Å; F257-L261 WeakPolarHBondContact O-CG 3.48Å; F257-L261 PolarHBondContact O-N 2.91Å; F257-L261 VanDerWaalsContact O-N 3.1Å
258I85.2Confident85.1Confident54 Ų5454.7 Ų54.728%0.27728%0.275SS..Hα-helixtrans-67.9-39.2177.7-66.7172.7000110.8K254 D256 L261 K262K254-I258 HydrophobicContact CD-CD1 4.33Å; K254-I258 HydrophobicContact CG-CD1 3.67Å; K254-I258 HydrophobicContact CG-CG1 4.3Å; K254-I258 WeakPolarHBondContact O-CB 3.49Å; K254-I258 VanDerWaalsContact O-CG1 3.29Å; K254-I258 WeakPolarHBondContact O-CG1 3.15Å; K254-I258 PolarHBondContact O-N 3.5Å; D256-I258 PolarHBondContact O-N 3.2Å; I258-L261 PolarHBondContact O-N 2.69Å; I258-K262 HydrophobicContact CG2-CD 3.94Å; I258-K262 HydrophobicContact CG2-CG 4.28Å; I258-K262 WeakPolarHBondContact O-CB 3.3Å; I258-K262 VanDerWaalsContact O-CG 3.3Å; I258-K262 WeakPolarHBondContact O-CG 3.48Å; I258-K262 PolarHBondContact O-N 2.93Å
259R89.3Confident84.8Confident82 Ų8255.1 Ų55.131%0.30928%0.28SS..Hα-helixtrans-59.3-50.2176.5-172.3-170.375.2-137.7-2.1110.7H255 D256 L261 K262 D263H255-R259 VanDerWaalsContact O-CB 3.26Å; H255-R259 WeakPolarHBondContact O-CB 3.34Å; H255-R259 PolarHBondContact O-N 3.34Å; D256-R259 PolarHBondContact O-N 3.39Å; D256-R259 IonicContact OD1-CZ 3.91Å; D256-R259 IonicContact OD1-NH1 3.75Å; D256-R259 PolarHBondContact OD1-NH1 3.34Å; D256-R259 IonicContact OD1-NH2 3.93Å; R259-L261 VanDerWaalsContact C-N 3.33Å; R259-L261 PolarHBondContact O-N 3.19Å; R259-K262 CarbonylContact O-C 3.57Å; R259-K262 PolarHBondContact O-N 3.44Å; R259-K262 VanDerWaalsContact O-N 3.14Å; R259-D263 WeakPolarHBondContact CG-OD2 3.29Å; R259-D263 IonicContact NE-OD2 3.43Å; R259-D263 WeakPolarHBondContact O-CB 3.49Å; R259-D263 PolarHBondContact O-N 3.42Å
260I85.9Confident84.4Confident5 Ų562.8 Ų62.83%0.02631%0.309CS..Hα-helixtrans-60.1-44.1179.6-67.8170.4000110.6V168 E171 L172 V175 D256 K262 D263 V264V168-I260 HydrophobicContact CG1-CG2 4.27Å; E171-I260 HydrophobicContact CB-CD1 4.03Å; E171-I260 HydrophobicContact CB-CG1 3.98Å; E171-I260 HydrophobicContact CB-CG2 4.1Å; L172-I260 HydrophobicContact CD2-CD1 3.9Å; L172-I260 HydrophobicContact CG-CD1 4.42Å; V175-I260 HydrophobicContact CG1-CD1 4.49Å; V175-I260 HydrophobicContact CG2-CD1 3.61Å; D256-I260 WeakPolarHBondContact O-CB 3.33Å; D256-I260 WeakPolarHBondContact O-CG1 3.34Å; D256-I260 PolarHBondContact O-N 2.94Å; I260-K262 PolarHBondContact O-N 3.43Å; I260-D263 PolarHBondContact O-N 3.44Å; I260-V264 HydrophobicContact CG2-CG2 4.39Å; I260-V264 WeakPolarHBondContact O-CB 3.17Å; I260-V264 WeakPolarHBondContact O-CG2 3.21Å; I260-V264 PolarHBondContact O-N 3.33Å
261L78.4Confident84.1Confident79 Ų7966.5 Ų66.541%0.41433%0.329SS..Hα-helixtrans-60.9-44.3175.6-72.9176.3000112.2L231 F257 I258 R259 V264 E265L231-L261 HydrophobicContact CD2-CD1 3.88Å; F257-L261 HydrophobicContact CD1-CD1 3.86Å; F257-L261 HydrophobicContact CE1-CD1 3.4Å; F257-L261 VanDerWaalsContact CE1-CD1 3.4Å; F257-L261 HydrophobicContact CE1-CG 4.39Å; F257-L261 HydrophobicContact CZ-CD1 3.98Å; F257-L261 WeakPolarHBondContact O-CG 3.48Å; F257-L261 PolarHBondContact O-N 2.91Å; F257-L261 VanDerWaalsContact O-N 3.1Å; I258-L261 PolarHBondContact O-N 2.69Å; R259-L261 VanDerWaalsContact C-N 3.33Å; R259-L261 PolarHBondContact O-N 3.19Å; L261-V264 PolarHBondContact O-N 2.92Å; L261-E265 WeakPolarHBondContact O-CB 3.39Å; L261-E265 PolarHBondContact O-N 3.34Å
262K79.7Confident83.8Confident133 Ų13370 Ų7058%0.57835%0.347SS*.Hα-helixtrans-66-40.3177-75178.2178.2-178.90112.6I258 R259 I260 V264 E265 A266I258-K262 HydrophobicContact CG2-CD 3.94Å; I258-K262 HydrophobicContact CG2-CG 4.28Å; I258-K262 WeakPolarHBondContact O-CB 3.3Å; I258-K262 VanDerWaalsContact O-CG 3.3Å; I258-K262 WeakPolarHBondContact O-CG 3.48Å; I258-K262 PolarHBondContact O-N 2.93Å; R259-K262 CarbonylContact O-C 3.57Å; R259-K262 PolarHBondContact O-N 3.44Å; R259-K262 VanDerWaalsContact O-N 3.14Å; I260-K262 PolarHBondContact O-N 3.43Å; K262-V264 VanDerWaalsContact C-N 3.35Å; K262-E265 PolarHBondContact O-N 3.27Å; K262-A266 WeakPolarHBondContact O-CB 3.4Å; K262-A266 PolarHBondContact O-N 2.97Å
263D78Confident83.4Confident62 Ų6273.7 Ų73.733%0.33236%0.364SS..Hα-helixtrans-67.5-39.8179.7-70.9-14.9000110.2R259 I260 A266 N267R259-D263 WeakPolarHBondContact CG-OD2 3.29Å; R259-D263 IonicContact NE-OD2 3.43Å; R259-D263 WeakPolarHBondContact O-CB 3.49Å; R259-D263 PolarHBondContact O-N 3.42Å; I260-D263 PolarHBondContact O-N 3.44Å; D263-A266 PolarHBondContact O-N 3.16Å; D263-N267 WeakPolarHBondContact O-CB 3.45Å; D263-N267 PolarHBondContact O-N 2.9Å; D263-N267 PolarHBondContact O-ND2 3.21Å
264V73.3Confident83.1Confident35 Ų3580.7 Ų80.721%0.21240%0.395CS..Hα-helixtrans-63.2-46.4173.1172.60000110.5V168 I260 L261 K262 N267 T268V168-V264 HydrophobicContact CG2-CG2 3.6Å; I260-V264 HydrophobicContact CG2-CG2 4.39Å; I260-V264 WeakPolarHBondContact O-CB 3.17Å; I260-V264 WeakPolarHBondContact O-CG2 3.21Å; I260-V264 PolarHBondContact O-N 3.33Å; L261-V264 PolarHBondContact O-N 2.92Å; K262-V264 VanDerWaalsContact C-N 3.35Å; V264-N267 CarbonylContact O-C 3.37Å; V264-N267 PolarHBondContact O-N 3.05Å; V264-T268 VanDerWaalsContact O-CB 3.29Å; V264-T268 WeakPolarHBondContact O-CB 3.5Å; V264-T268 PolarHBondContact O-N 3.1Å; V264-T268 PolarHBondContact O-OG1 3.02Å
265E70.9Confident82.5Confident137 Ų13781.5 Ų81.564%0.6442%0.418SS*.Hα-helixtrans-63.9-42.2177.5-170.4168.5-161.900112L261 K262 N267 T268L261-E265 WeakPolarHBondContact O-CB 3.39Å; L261-E265 PolarHBondContact O-N 3.34Å; K262-E265 PolarHBondContact O-N 3.27Å; E265-N267 VanDerWaalsContact C-N 3.3Å; E265-N267 PolarHBondContact O-N 3.29Å; E265-T268 PolarHBondContact O-N 3.05Å; E265-T268 VanDerWaalsContact O-N 3.12Å; E265-T268 VanDerWaalsContact O-O 3.09Å
266A72.4Confident82.3Confident80 Ų8082.3 Ų82.366%0.66142%0.419SS*.Hα-helixtrans-66.5-31.3176.900000113K262 D263 T268K262-A266 WeakPolarHBondContact O-CB 3.4Å; K262-A266 PolarHBondContact O-N 2.97Å; D263-A266 PolarHBondContact O-N 3.16Å; A266-T268 VanDerWaalsContact C-N 3.33Å
267N77.1Confident82.1Confident63 Ų6382.9 Ų82.934%0.33742%0.424SS..Hα-helixtrans-86.1-6.3175.4-70-40000112.9D263 V264 E265 E282 K283D263-N267 WeakPolarHBondContact O-CB 3.45Å; D263-N267 PolarHBondContact O-N 2.9Å; D263-N267 PolarHBondContact O-ND2 3.21Å; V264-N267 CarbonylContact O-C 3.37Å; V264-N267 PolarHBondContact O-N 3.05Å; E265-N267 VanDerWaalsContact C-N 3.3Å; E265-N267 PolarHBondContact O-N 3.29Å; N267-E282 CarbonylContact O-C 3.6Å; N267-E282 WeakPolarHBondContact O-CA 3.4Å; N267-K283 HydrophobicContact CB-CB 4.16Å; N267-K283 PolarHBondContact O-N 3.34Å
268T80.9Confident82.2Confident32 Ų3282.4 Ų82.420%0.19642%0.423CS..EExtended strand (participates in β ladder)trans-99.8126.6179.2-600000110.6V264 E265 A266 R270 V280 L281V264-T268 VanDerWaalsContact O-CB 3.29Å; V264-T268 WeakPolarHBondContact O-CB 3.5Å; V264-T268 PolarHBondContact O-N 3.1Å; V264-T268 PolarHBondContact O-OG1 3.02Å; E265-T268 PolarHBondContact O-N 3.05Å; E265-T268 VanDerWaalsContact O-N 3.12Å; E265-T268 VanDerWaalsContact O-O 3.09Å; A266-T268 VanDerWaalsContact C-N 3.33Å; T268-R270 HydrophobicContact CG2-CG 4.2Å; T268-V280 HydrophobicContact CG2-CG1 3.54Å; T268-L281 CarbonylContact C-O 3.46Å; T268-L281 VanDerWaalsContact CA-O 3.28Å; T268-L281 WeakPolarHBondContact CA-O 3.47Å
269V84.1Confident82.4Confident49 Ų4980 Ų8030%0.29741%0.411SS..EExtended strand (participates in β ladder)trans-108.4122.9172.4175.70000108.7L271 V280 L281 Y301V269-L271 HydrophobicContact CG1-CD2 4.3Å; V269-V280 WeakPolarHBondContact O-CA 3.29Å; V269-L281 HydrophobicContact CB-CB 4.23Å; V269-L281 PolarHBondContact N-O 3.29Å; V269-L281 PolarHBondContact O-N 3.03Å; V269-Y301 HydrophobicContact CB-CE1 4.41Å; V269-Y301 HydrophobicContact CG2-CD1 4.2Å; V269-Y301 HydrophobicContact CG2-CE1 3.51Å
270R84.8Confident82.3Confident160 Ų16077 Ų7760%0.60440%0.402SS*.EExtended strand (participates in β ladder)trans-107.4119.3175.2-63.1-175.8-179.1173.91109.3T268 T277 L279 V280T268-R270 HydrophobicContact CG2-CG 4.2Å; R270-T277 HydrophobicContact CB-CG2 4.05Å; R270-T277 HydrophobicContact CG-CG2 4.35Å; R270-L279 WeakPolarHBondContact CA-O 3.46Å; R270-V280 HydrophobicContact CG-CG1 4.33Å; R270-V280 HydrophobicContact CG-CG2 4.28Å
271L85.8Confident82.3Confident81 Ų8177.3 Ų77.342%0.42440%0.404SS..EExtended strand (participates in β ladder)trans-90.7130.9170.6-58-179.8000108.6V269 T277 V278 L279V269-L271 HydrophobicContact CG1-CD2 4.3Å; L271-T277 WeakPolarHBondContact O-CA 3.47Å; L271-V278 HydrophobicContact CB-CG2 4.39Å; L271-V278 WeakPolarHBondContact O-CG2 3.32Å; L271-V278 PolarHBondContact O-N 3.24Å; L271-L279 HydrophobicContact CB-CB 4.14Å; L271-L279 HydrophobicContact CD1-CB 4.13Å; L271-L279 HydrophobicContact CD1-CD2 3.8Å; L271-L279 HydrophobicContact CG-CB 4.39Å; L271-L279 PolarHBondContact N-O 3.37Å; L271-L279 PolarHBondContact O-N 2.99Å
272E86.8Confident82.6Confident123 Ų12374.3 Ų74.358%0.57539%0.387SS*.EExtended strand (participates in β ladder)trans-118.8138.8179.6-57.8-167.6158.400111.4K276E272-K276 CarbonylContact C-O 3.58Å; E272-K276 WeakPolarHBondContact CA-O 3.45Å
273E85.8Confident82.6Confident79 Ų7971.4 Ų71.437%0.36938%0.375SS..EExtended strand (participates in β ladder)trans-127.7132.2170.3-70-171.7152.700109.2G275 K276 V278 K310E273-G275 PolarHBondContact O-N 2.88Å; E273-G275 VanDerWaalsContact O-N 3.17Å; E273-K276 PolarHBondContact N-O 3.37Å; E273-K276 PolarHBondContact O-N 3.14Å; E273-V278 HydrophobicContact CB-CG1 4Å; E273-V278 HydrophobicContact CB-CG2 4.27Å; E273-V278 HydrophobicContact CG-CG1 4.45Å; E273-V278 HydrophobicContact CG-CG2 3.88Å; E273-K310 WeakPolarHBondContact OE1-CE 3.22Å; E273-K310 IonicContact OE1-NZ 3.57Å; E273-K310 PolarHBondContact OE1-NZ 3.31Å; E273-K310 WeakPolarHBondContact OE2-CE 3.31Å; E273-K310 IonicContact OE2-NZ 2.69Å
274H86.3Confident82.1Confident193 Ų19370.2 Ų70.289%0.89437%0.372SS*.THydrogen-bonded Turntrans5335.9-178.4-47.792.9000113.1K276H274-K276 VanDerWaalsContact C-N 3.28Å; H274-K276 PolarHBondContact O-N 3.42Å
275G78.4Confident81.2Confident68 Ų6872.6 Ų72.670%0.70139%0.394SS*.THydrogen-bonded Turntrans71.716.3-178.900000114.9E273E273-G275 PolarHBondContact O-N 2.88Å; E273-G275 VanDerWaalsContact O-N 3.17Å
276K85.5Confident80.1Confident154 Ų15473.2 Ų73.267%0.6740%0.402SS*.EExtended strand (participates in β ladder)trans-120135.4174.2-65.5178.9-177.7172.30109.9E272 E273 H274 V278E272-K276 CarbonylContact C-O 3.58Å; E272-K276 WeakPolarHBondContact CA-O 3.45Å; E273-K276 PolarHBondContact N-O 3.37Å; E273-K276 PolarHBondContact O-N 3.14Å; H274-K276 VanDerWaalsContact C-N 3.28Å; H274-K276 PolarHBondContact O-N 3.42Å; K276-V278 PolarHBondContact O-N 2.86Å
277T87.7Confident78.4Confident45 Ų4572 Ų7228%0.27639%0.389SS..EExtended strand (participates in β ladder)trans-64127.7170.5-47.40000110.2R270 L271 V280 L748R270-T277 HydrophobicContact CB-CG2 4.05Å; R270-T277 HydrophobicContact CG-CG2 4.35Å; L271-T277 WeakPolarHBondContact O-CA 3.47Å; T277-V280 HydrophobicContact CG2-CG2 3.72Å; T277-L748 HydrophobicContact CG2-CD1 4.17Å
278V90.1Very high76.6Confident16 Ų1676.8 Ų76.810%0.09741%0.414CS..EExtended strand (participates in β ladder)trans-119.2-20.9-178-66.40000113.4L271 E273 K276 G306 T307 K310L271-V278 HydrophobicContact CB-CG2 4.39Å; L271-V278 WeakPolarHBondContact O-CG2 3.32Å; L271-V278 PolarHBondContact O-N 3.24Å; E273-V278 HydrophobicContact CB-CG1 4Å; E273-V278 HydrophobicContact CB-CG2 4.27Å; E273-V278 HydrophobicContact CG-CG1 4.45Å; E273-V278 HydrophobicContact CG-CG2 3.88Å; K276-V278 PolarHBondContact O-N 2.86Å; V278-G306 CarbonylContact O-C 3.57Å; V278-G306 WeakPolarHBondContact O-CA 3.3Å; V278-T307 HydrophobicContact CB-CG2 4.38Å; V278-T307 HydrophobicContact CG1-CG2 4.45Å; V278-T307 PolarHBondContact O-N 3.09Å; V278-K310 HydrophobicContact CB-CG 3.82Å; V278-K310 HydrophobicContact CG2-CG 3.81Å
279L89.3Confident74.5Confident3 Ų378 Ų782%0.01643%0.434CS..EExtended strand (participates in β ladder)trans-148.9136175.1-167.169.3000109.9R270 L271 L281 V303 K310 I311 H314R270-L279 WeakPolarHBondContact CA-O 3.46Å; L271-L279 HydrophobicContact CB-CB 4.14Å; L271-L279 HydrophobicContact CD1-CB 4.13Å; L271-L279 HydrophobicContact CD1-CD2 3.8Å; L271-L279 HydrophobicContact CG-CB 4.39Å; L271-L279 PolarHBondContact N-O 3.37Å; L271-L279 PolarHBondContact O-N 2.99Å; L279-L281 HydrophobicContact CD2-CD1 4.33Å; L279-L281 HydrophobicContact CD2-CD2 3.84Å; L279-L281 HydrophobicContact CD2-CG 4.12Å; L279-L281 HydrophobicContact CG-CD2 4.01Å; L279-L281 HydrophobicContact CG-CG 4.25Å; L279-V303 HydrophobicContact CD1-CG1 3.88Å; L279-K310 HydrophobicContact CB-CB 4.36Å; L279-K310 HydrophobicContact CD1-CB 4.49Å; L279-I311 HydrophobicContact CD1-CG1 3.89Å; L279-H314 HydrophobicContact CD2-CB 3.71Å
280V87.4Confident72.2Confident20 Ų2085 Ų8512%0.12146%0.463CS..EExtended strand (participates in β ladder)trans-121.1122.4175.4-173.80000108.1T268 V269 R270 T277 M304 S305 L748T268-V280 HydrophobicContact CG2-CG1 3.54Å; V269-V280 WeakPolarHBondContact O-CA 3.29Å; R270-V280 HydrophobicContact CG-CG1 4.33Å; R270-V280 HydrophobicContact CG-CG2 4.28Å; T277-V280 HydrophobicContact CG2-CG2 3.72Å; V280-M304 HydrophobicContact CG1-CB 4.4Å; V280-M304 PolarHBondContact O-N 3.18Å; V280-S305 WeakPolarHBondContact CG2-OG 3.37Å; V280-S305 PolarHBondContact N-O 3.46Å; V280-S305 PolarHBondContact O-N 3.32Å; V280-L748 HydrophobicContact CG2-CD1 4.12Å
281L86.3Confident69.8Low12 Ų1282 Ų826%0.06348%0.481CS..EExtended strand (participates in β ladder)trans-116.9145.8-179.2-60.1178.3000109.1T268 V269 L279 Y301 T302 V303T268-L281 CarbonylContact C-O 3.46Å; T268-L281 VanDerWaalsContact CA-O 3.28Å; T268-L281 WeakPolarHBondContact CA-O 3.47Å; V269-L281 HydrophobicContact CB-CB 4.23Å; V269-L281 PolarHBondContact N-O 3.29Å; V269-L281 PolarHBondContact O-N 3.03Å; L279-L281 HydrophobicContact CD2-CD1 4.33Å; L279-L281 HydrophobicContact CD2-CD2 3.84Å; L279-L281 HydrophobicContact CD2-CG 4.12Å; L279-L281 HydrophobicContact CG-CD2 4.01Å; L279-L281 HydrophobicContact CG-CG 4.25Å; L281-Y301 HydrophobicContact CB-CD1 4.21Å; L281-Y301 HydrophobicContact CB-CG 4.49Å; L281-T302 CarbonylContact C-O 3.3Å; L281-T302 WeakPolarHBondContact CA-O 3.12Å; L281-V303 HydrophobicContact CD2-CB 4.26Å; L281-V303 HydrophobicContact CD2-CG2 3.73Å
282E83.9Confident67.1Low16 Ų1680.7 Ų80.78%0.07549%0.488CS..EExtended strand (participates in β ladder)trans-125138.4173.9-172.7179.9-172.800109.9S167 N267 Y301 T302 M304S167-E282 WeakPolarHBondContact CB-OE1 3.33Å; S167-E282 PolarHBondContact OG-OE1 3.06Å; N267-E282 CarbonylContact O-C 3.6Å; N267-E282 WeakPolarHBondContact O-CA 3.4Å; E282-Y301 CarbonylContact O-C 3.56Å; E282-Y301 WeakPolarHBondContact O-CA 3.26Å; E282-T302 PolarHBondContact N-O 3.23Å; E282-T302 PolarHBondContact O-N 3.07Å; E282-T302 PolarHBondContact O-OG1 3.22Å; E282-M304 HydrophobicContact CB-CG 3.55Å; E282-M304 HydrophobicContact CB-SD 4.07Å; E282-M304 VanDerWaalsContact OE2-CE 3.26Å; E282-M304 WeakPolarHBondContact OE2-CE 3.35Å
283K80.1Confident64.6Low71 Ų7180.5 Ų80.531%0.30951%0.507SS..EExtended strand (participates in β ladder)trans-72.5126.6178.5-169.9-179.7178-174.40110.5N267 Y301N267-K283 HydrophobicContact CB-CB 4.16Å; N267-K283 PolarHBondContact O-N 3.34Å; K283-Y301 HydrophobicContact CB-CD1 4.13Å; K283-Y301 HydrophobicContact CB-CE1 3.9Å; K283-Y301 HydrophobicContact CG-CE1 4.42Å
284S66.6Low62Low38 Ų3881.5 Ų81.527%0.26653%0.529SS..  trans-66.1135.5176.5-175.60000112.5D286 C287 R300S284-D286 VanDerWaalsContact C-N 3.3Å; S284-D286 PolarHBondContact O-N 3.47Å; S284-C287 PolarHBondContact O-SG 3.43Å; S284-R300 WeakPolarHBondContact CB-O 3.49Å; S284-R300 PolarHBondContact N-O 3.11Å
285A54.3Low59.3Low84 Ų8476.8 Ų76.869%0.69452%0.523SS*.G310 helixtrans-70.7-14.7-176.700000115C287A285-C287 PolarHBondContact O-N 3.39Å
286D48.2Very low57Low150 Ų15081.5 Ų81.580%0.80253%0.533SS*.G310 helixtrans-70.36.2-176.4-71-23000114.6S284S284-D286 VanDerWaalsContact C-N 3.3Å; S284-D286 PolarHBondContact O-N 3.47Å
287C38Very low54.6Low56 Ų5679.5 Ų79.538%0.37854%0.538SS..G310 helixtrans-88.5-7.1-172.3-54.50000114.7S284 A285S284-C287 PolarHBondContact O-SG 3.43Å; A285-C287 PolarHBondContact O-N 3.39Å
288N37.8Very low52.3Low162 Ų16284 Ų8487%0.86656%0.56SS**G310 helixtrans-92.85.9-172.1-82.33000115
289G37.8Very low50.1Low59 Ų5986.2 Ų86.261%0.60858%0.576SS**SBendtrans-130.250.5-168.700000115.8
290Q35.3Very low49Very low196 Ų19693.3 Ų93.392%0.91660%0.602SS**  trans-169.5100.6154.9-106.5158.151.800111.1G292Q290-G292 PolarHBondContact O-N 2.93Å; Q290-G292 VanDerWaalsContact O-N 3.16Å
291G33.7Very low48.5Very low96 Ų9697 Ų9799%0.9961%0.614SS**  trans-71.4100.9167.400000110
292G30.5Very low48.5Very low54 Ų5498 Ų9856%0.55762%0.622SS**  trans-152.6108172.200000109.4Q290 A294Q290-G292 PolarHBondContact O-N 2.93Å; Q290-G292 VanDerWaalsContact O-N 3.16Å; G292-A294 PolarHBondContact O-N 2.9Å
293A33.7Very low48.7Very low118 Ų11897.6 Ų97.698%0.97562%0.62SS**THydrogen-bonded Turntrans-71.374.8179.500000111
294A32.1Very low49.1Very low101 Ų10195.4 Ų95.484%0.83561%0.611SS**THydrogen-bonded Turntrans-169.328163.900000113.3G292G292-A294 PolarHBondContact O-N 2.9Å
295A29.6Very low50.3Low94 Ų9494.3 Ų94.378%0.77760%0.603SS**  trans-105100.2176.800000110.5
296N30.3Very low52.1Low167 Ų16790.3 Ų90.389%0.89357%0.57SS**  trans-58.9136.5177.1-117.2-9.5000111.7N298N296-N298 PolarHBondContact O-N 3.17Å
297S33.4Very low54.3Low111 Ų11184.9 Ų84.978%0.77654%0.543SS*.SBendtrans-31.1108.9-179.7-63.60000116.8
298N40.4Very low57Low139 Ų13983.2 Ų83.274%0.74353%0.531SS*.  trans-171.693.1131.9-104.1-7.7000109.2N296 R300N296-N298 PolarHBondContact O-N 3.17Å; N298-R300 PolarHBondContact O-N 3.11Å
299C43Very low59.6Low63 Ų6378.9 Ų78.943%0.42651%0.506SS..  trans-53.7112.4157.9-72.50000107Y301C299-Y301 WeakPolarHBondContact O-CD2 3.46Å; C299-Y301 PolarHBondContact O-N 3.16Å
300R66.5Low62.2Low153 Ų15377.9 Ų77.958%0.57749%0.485SS*.  trans-78.695.1-167.2-157.9-172.2-103.8135.8-13.5109.2S284 N298S284-R300 WeakPolarHBondContact CB-O 3.49Å; S284-R300 PolarHBondContact N-O 3.11Å; N298-R300 PolarHBondContact O-N 3.11Å
301Y78.1Confident64.9Low96 Ų9668.5 Ų68.538%0.37644%0.441SS..EExtended strand (participates in β ladder)trans-61.9139.7166.6-71.7-84.9000109.8V269 L281 E282 K283 C299V269-Y301 HydrophobicContact CB-CE1 4.41Å; V269-Y301 HydrophobicContact CG2-CD1 4.2Å; V269-Y301 HydrophobicContact CG2-CE1 3.51Å; L281-Y301 HydrophobicContact CB-CD1 4.21Å; L281-Y301 HydrophobicContact CB-CG 4.49Å; E282-Y301 CarbonylContact O-C 3.56Å; E282-Y301 WeakPolarHBondContact O-CA 3.26Å; K283-Y301 HydrophobicContact CB-CD1 4.13Å; K283-Y301 HydrophobicContact CB-CE1 3.9Å; K283-Y301 HydrophobicContact CG-CE1 4.42Å; C299-Y301 WeakPolarHBondContact O-CD2 3.46Å; C299-Y301 PolarHBondContact O-N 3.16Å
302T84.9Confident67.6Low35 Ų3564 Ų6422%0.21539%0.394CS..EExtended strand (participates in β ladder)trans-109.7137.2176560000110L281 E282 M304L281-T302 CarbonylContact C-O 3.3Å; L281-T302 WeakPolarHBondContact CA-O 3.12Å; E282-T302 PolarHBondContact N-O 3.23Å; E282-T302 PolarHBondContact O-N 3.07Å; E282-T302 PolarHBondContact O-OG1 3.22Å; T302-M304 PolarHBondContact O-N 2.66Å
303V89.2Confident70.4Confident7 Ų764.7 Ų64.74%0.04238%0.383CS..EExtended strand (participates in β ladder)trans-67.8125.9175.2-176.50000109.8L279 L281 I311 H314 F751 R755L279-V303 HydrophobicContact CD1-CG1 3.88Å; L281-V303 HydrophobicContact CD2-CB 4.26Å; L281-V303 HydrophobicContact CD2-CG2 3.73Å; V303-I311 HydrophobicContact CG1-CG1 4.09Å; V303-H314 VanDerWaalsContact CG2-CD2 3.49Å; V303-H314 WeakPolarHBondContact CG2-CD2 3.44Å; V303-F751 HydrophobicContact CB-CD1 3.78Å; V303-F751 HydrophobicContact CB-CE1 4.39Å; V303-F751 HydrophobicContact CB-CG 4.36Å; V303-F751 HydrophobicContact CG1-CB 3.85Å; V303-F751 HydrophobicContact CG1-CD1 3.94Å; V303-F751 HydrophobicContact CG1-CG 4.01Å; V303-R755 PolarHBondContact O-NH1 3.15Å
304M88.5Confident73Confident24 Ų2460.8 Ų60.812%0.11834%0.344CS..EExtended strand (participates in β ladder)trans-101.6-50.6175.9-62.4-53.1-7500110.8V280 E282 T302 F751 E752 R755V280-M304 HydrophobicContact CG1-CB 4.4Å; V280-M304 PolarHBondContact O-N 3.18Å; E282-M304 HydrophobicContact CB-CG 3.55Å; E282-M304 HydrophobicContact CB-SD 4.07Å; E282-M304 VanDerWaalsContact OE2-CE 3.26Å; E282-M304 WeakPolarHBondContact OE2-CE 3.35Å; T302-M304 PolarHBondContact O-N 2.66Å; M304-F751 PolarHBondContact O-N 3.38Å; M304-E752 HydrophobicContact CE-CB 4.06Å; M304-E752 HydrophobicContact CE-CG 4.13Å; M304-E752 VanDerWaalsContact CE-OE2 3.25Å; M304-E752 WeakPolarHBondContact CE-OE2 3.34Å; M304-E752 PolarHBondContact O-N 3.28Å; M304-E752 VanDerWaalsContact O-N 3.15Å; M304-R755 PolarHBondContact SD-NH2 2.67Å
305S91.4Very high75.6Confident15 Ų1556.1 Ų56.111%0.10531%0.305CS..EExtended strand (participates in β ladder)trans-149.3157.9172.8630000112V280 V749V280-S305 WeakPolarHBondContact CG2-OG 3.37Å; V280-S305 PolarHBondContact N-O 3.46Å; V280-S305 PolarHBondContact O-N 3.32Å; S305-V749 WeakPolarHBondContact CA-O 3.37Å; S305-V749 VanDerWaalsContact CB-O 3.24Å; S305-V749 WeakPolarHBondContact CB-O 3.31Å
306G92.1Very high78.3Confident0 Ų051.8 Ų51.80%027%0.269CS..EExtended strand (participates in β ladder)trans-177.5173.6175.200000113.8V278 V749V278-G306 CarbonylContact O-C 3.57Å; V278-G306 WeakPolarHBondContact O-CA 3.3Å; G306-V749 PolarHBondContact N-O 2.87Å; G306-V749 WeakPolarHBondContact O-CB 3.48Å; G306-V749 PolarHBondContact O-N 2.85Å
307T94.3Very high80.8Confident37 Ų3748.6 Ų48.623%0.22725%0.252CS..  trans-71.8149.8167.662.40000109.8V278 E309 K310 I311 L748V278-T307 HydrophobicContact CB-CG2 4.38Å; V278-T307 HydrophobicContact CG1-CG2 4.45Å; V278-T307 PolarHBondContact O-N 3.09Å; T307-E309 PolarHBondContact O-N 3.39Å; T307-K310 PolarHBondContact O-N 3.28Å; T307-K310 VanDerWaalsContact O-N 3.15Å; T307-K310 WeakPolarHBondContact OG1-CB 3.47Å; T307-K310 WeakPolarHBondContact OG1-CG 3.3Å; T307-K310 PolarHBondContact OG1-N 3.37Å; T307-I311 VanDerWaalsContact O-CG1 3.3Å; T307-I311 WeakPolarHBondContact O-CG1 3.35Å; T307-I311 PolarHBondContact O-N 3.47Å; T307-L748 HydrophobicContact CG2-CD2 3.73Å
308P94.9Very high83.1Confident20 Ų2046.3 Ų46.313%0.1323%0.233CC..Hα-helixtrans-49.4-44.2179-29.136.3000113.6L312 F343 M344 V749P308-L312 PolarHBondContact O-N 2.78Å; P308-L312 VanDerWaalsContact O-N 3.12Å; P308-F343 HydrophobicContact CB-CD2 4.08Å; P308-F343 HydrophobicContact CG-CD2 4.17Å; P308-F343 WeakPolarHBondContact CG-O 3.33Å; P308-M344 HydrophobicContact CB-CB 4.07Å; P308-M344 HydrophobicContact CB-CE 4.5Å; P308-M344 HydrophobicContact CB-CG 4.06Å; P308-M344 HydrophobicContact CB-SD 4.15Å; P308-V749 HydrophobicContact CG-CG2 4.04Å
309E92.3Very high85.1Confident72 Ų7240 Ų4034%0.33620%0.2SC..Hα-helixtrans-66.2-46-179.6-62.574.7-163.600111.6T307 I311 L312 E313 Q348T307-E309 PolarHBondContact O-N 3.39Å; E309-I311 PolarHBondContact O-N 3.04Å; E309-L312 WeakPolarHBondContact O-CB 3.34Å; E309-L312 PolarHBondContact O-N 2.99Å; E309-E313 WeakPolarHBondContact O-CG 3.49Å; E309-E313 PolarHBondContact O-N 3.07Å; E309-Q348 PolarHBondContact OE1-NE2 3.42Å
310K91.1Very high86.8Confident37 Ų3743.1 Ų43.116%0.16121%0.206CC..Hα-helixtrans-70.3-31.3-179.9-73.5-48.8-168.4-178.70114E273 V278 L279 T307 E313 H314E273-K310 WeakPolarHBondContact OE1-CE 3.22Å; E273-K310 IonicContact OE1-NZ 3.57Å; E273-K310 PolarHBondContact OE1-NZ 3.31Å; E273-K310 WeakPolarHBondContact OE2-CE 3.31Å; E273-K310 IonicContact OE2-NZ 2.69Å; V278-K310 HydrophobicContact CB-CG 3.82Å; V278-K310 HydrophobicContact CG2-CG 3.81Å; L279-K310 HydrophobicContact CB-CB 4.36Å; L279-K310 HydrophobicContact CD1-CB 4.49Å; T307-K310 PolarHBondContact O-N 3.28Å; T307-K310 VanDerWaalsContact O-N 3.15Å; T307-K310 WeakPolarHBondContact OG1-CB 3.47Å; T307-K310 WeakPolarHBondContact OG1-CG 3.3Å; T307-K310 PolarHBondContact OG1-N 3.37Å; K310-E313 WeakPolarHBondContact CD-OE2 3.35Å; K310-E313 WeakPolarHBondContact CE-OE2 3.46Å; K310-E313 IonicContact NZ-OE1 3.27Å; K310-E313 IonicContact NZ-OE2 2.64Å; K310-E313 PolarHBondContact NZ-OE2 2.86Å; K310-H314 VanDerWaalsContact O-CB 3.27Å; K310-H314 WeakPolarHBondContact O-CB 3.42Å; K310-H314 PolarHBondContact O-N 2.58Å
311I92.1Very high87Confident0 Ų037.4 Ų37.40%019%0.187CC..Hα-helixtrans-63-47.1170.9-64.4170.9000109.3L279 V303 T307 E309 H314 L315 F336 V749 F751L279-I311 HydrophobicContact CD1-CG1 3.89Å; V303-I311 HydrophobicContact CG1-CG1 4.09Å; T307-I311 VanDerWaalsContact O-CG1 3.3Å; T307-I311 WeakPolarHBondContact O-CG1 3.35Å; T307-I311 PolarHBondContact O-N 3.47Å; E309-I311 PolarHBondContact O-N 3.04Å; I311-H314 PolarHBondContact O-N 3.45Å; I311-L315 HydrophobicContact CG2-CD1 3.91Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 WeakPolarHBondContact O-CB 3.27Å; I311-L315 WeakPolarHBondContact O-CG 3.38Å; I311-L315 PolarHBondContact O-N 3.24Å; I311-F336 HydrophobicContact CG2-CD2 3.76Å; I311-F336 HydrophobicContact CG2-CE2 4Å; I311-V749 HydrophobicContact CD1-CB 4.02Å; I311-V749 HydrophobicContact CD1-CG1 4.4Å; I311-F751 HydrophobicContact CD1-CB 4.35Å; I311-F751 HydrophobicContact CD1-CD2 4.11Å; I311-F751 HydrophobicContact CD1-CG 4.48Å; I311-F751 HydrophobicContact CG2-CD2 4.09Å; I311-F751 HydrophobicContact CG2-CE2 3.98Å; I311-F751 HydrophobicContact CG2-CZ 4.42Å
312L92.3Very high86.2Confident2 Ų238.5 Ų38.51%0.0120%0.199CC..Hα-helixtrans-60.9-47.4177.6175.863000112.3P308 E309 L315 L316 F336 M344 L349 A352 L353 L383P308-L312 PolarHBondContact O-N 2.78Å; P308-L312 VanDerWaalsContact O-N 3.12Å; E309-L312 WeakPolarHBondContact O-CB 3.34Å; E309-L312 PolarHBondContact O-N 2.99Å; L312-L315 PolarHBondContact O-N 2.84Å; L312-L316 HydrophobicContact CD1-CD1 3.99Å; L312-L316 HydrophobicContact CD1-CG 4.33Å; L312-L316 HydrophobicContact CG-CD1 4.01Å; L312-L316 WeakPolarHBondContact O-CG 3.35Å; L312-L316 PolarHBondContact O-N 2.94Å; L312-F336 HydrophobicContact CB-CE2 4.42Å; L312-F336 HydrophobicContact CB-CZ 4.17Å; L312-F336 HydrophobicContact CD1-CE1 4.15Å; L312-F336 HydrophobicContact CD1-CZ 4.06Å; L312-M344 HydrophobicContact CD2-CE 4.04Å; L312-M344 HydrophobicContact CD2-SD 4.5Å; L312-L349 HydrophobicContact CD1-CD1 4.11Å; L312-L349 HydrophobicContact CD2-CD1 3.84Å; L312-A352 HydrophobicContact CD2-CB 3.71Å; L312-L353 HydrophobicContact CD1-CD2 4.14Å; L312-L353 HydrophobicContact CD2-CD2 4.17Å; L312-L353 HydrophobicContact CD2-CG 4.44Å; L312-L383 HydrophobicContact CD1-CD2 3.6Å
313E88.3Confident84.5Confident68 Ų6842 Ų4232%0.31823%0.225SC..Hα-helixtrans-58.4-49.8177.7-74.4175.6-161.500111.4E309 K310 L315 L316 D317E309-E313 WeakPolarHBondContact O-CG 3.49Å; E309-E313 PolarHBondContact O-N 3.07Å; K310-E313 WeakPolarHBondContact CD-OE2 3.35Å; K310-E313 WeakPolarHBondContact CE-OE2 3.46Å; K310-E313 IonicContact NZ-OE1 3.27Å; K310-E313 IonicContact NZ-OE2 2.64Å; K310-E313 PolarHBondContact NZ-OE2 2.86Å; E313-L315 VanDerWaalsContact C-N 3.3Å; E313-L315 PolarHBondContact O-N 3.18Å; E313-L316 PolarHBondContact O-N 2.77Å; E313-L316 VanDerWaalsContact O-N 3.14Å; E313-D317 PolarHBondContact O-N 2.86Å
314H87.9Confident82.5Confident35 Ų3547.7 Ų47.716%0.16226%0.255CS..Hα-helixtrans-60.3-39.5178.3-179.875.4000112.5L279 V303 K310 I311 D317 T318L279-H314 HydrophobicContact CD2-CB 3.71Å; V303-H314 VanDerWaalsContact CG2-CD2 3.49Å; V303-H314 WeakPolarHBondContact CG2-CD2 3.44Å; K310-H314 VanDerWaalsContact O-CB 3.27Å; K310-H314 WeakPolarHBondContact O-CB 3.42Å; K310-H314 PolarHBondContact O-N 2.58Å; I311-H314 PolarHBondContact O-N 3.45Å; H314-D317 PolarHBondContact O-N 3.37Å; H314-T318 WeakPolarHBondContact O-CB 3.41Å; H314-T318 WeakPolarHBondContact O-CG2 3.48Å; H314-T318 PolarHBondContact O-N 2.79Å; H314-T318 PolarHBondContact O-OG1 3.25Å
315L87.9Confident80.5Confident3 Ų348.2 Ų48.22%0.01627%0.266CS..Hα-helixtrans-64-44.2175.4-71168.2000111.2I311 L312 E313 D317 T318 L319 C332 V333 F336I311-L315 HydrophobicContact CG2-CD1 3.91Å; I311-L315 HydrophobicContact CG2-CG 4.47Å; I311-L315 WeakPolarHBondContact O-CB 3.27Å; I311-L315 WeakPolarHBondContact O-CG 3.38Å; I311-L315 PolarHBondContact O-N 3.24Å; L312-L315 PolarHBondContact O-N 2.84Å; E313-L315 VanDerWaalsContact C-N 3.3Å; E313-L315 PolarHBondContact O-N 3.18Å; L315-D317 VanDerWaalsContact C-N 3.32Å; L315-D317 PolarHBondContact O-N 2.86Å; L315-T318 PolarHBondContact O-N 2.82Å; L315-T318 PolarHBondContact O-OG1 2.84Å; L315-L319 WeakPolarHBondContact O-CB 3.41Å; L315-L319 VanDerWaalsContact O-CG 3.24Å; L315-L319 WeakPolarHBondContact O-CG 3.13Å; L315-L319 PolarHBondContact O-N 2.77Å; L315-C332 HydrophobicContact CD2-CB 3.71Å; L315-V333 HydrophobicContact CD2-CG2 4.33Å; L315-F336 HydrophobicContact CD1-CB 3.46Å; L315-F336 VanDerWaalsContact CD1-CB 3.46Å; L315-F336 HydrophobicContact CD1-CD1 4.18Å; L315-F336 HydrophobicContact CD1-CD2 3.42Å; L315-F336 VanDerWaalsContact CD1-CD2 3.42Å; L315-F336 HydrophobicContact CD1-CE2 4.17Å; L315-F336 HydrophobicContact CD1-CG 3.42Å; L315-F336 VanDerWaalsContact CD1-CG 3.42Å
316L85.1Confident78.2Confident4 Ų453.3 Ų53.32%0.02129%0.293CS..Hα-helixtrans-63.7-38.1176.3-72.7164.8000111.8L312 E313 L319 L353 Q356 K379 V380 L383L312-L316 HydrophobicContact CD1-CD1 3.99Å; L312-L316 HydrophobicContact CD1-CG 4.33Å; L312-L316 HydrophobicContact CG-CD1 4.01Å; L312-L316 WeakPolarHBondContact O-CG 3.35Å; L312-L316 PolarHBondContact O-N 2.94Å; E313-L316 PolarHBondContact O-N 2.77Å; E313-L316 VanDerWaalsContact O-N 3.14Å; L316-L319 HydrophobicContact CD2-CD1 4Å; L316-L353 HydrophobicContact CD1-CD2 4.35Å; L316-Q356 HydrophobicContact CD1-CG 4.36Å; L316-K379 HydrophobicContact CD2-CB 4.23Å; L316-K379 WeakPolarHBondContact O-CD 3.47Å; L316-K379 VanDerWaalsContact O-CE 3.23Å; L316-K379 WeakPolarHBondContact O-CE 3.49Å; L316-K379 PolarHBondContact O-NZ 3.25Å; L316-V380 HydrophobicContact CD1-CG2 4.24Å; L316-V380 HydrophobicContact CD2-CG2 4Å; L316-L383 HydrophobicContact CD2-CB 4.16Å; L316-L383 HydrophobicContact CD2-CD2 3.8Å; L316-L383 HydrophobicContact CG-CD2 4.25Å
317D83.5Confident76.2Confident100 Ų10058.7 Ų58.754%0.53532%0.321SS..Hα-helixtrans-66.1-40.6177.4-74.4-18.1000112.7E313 H314 L315 K379E313-D317 PolarHBondContact O-N 2.86Å; H314-D317 PolarHBondContact O-N 3.37Å; L315-D317 VanDerWaalsContact C-N 3.32Å; L315-D317 PolarHBondContact O-N 2.86Å; D317-K379 PolarHBondContact O-NZ 3.08Å
318T82.3Confident74.4Confident62 Ų6262.2 Ų62.238%0.3835%0.345SS..Hα-helixtrans-84.4-14-178.255.40000114.3H314 L315 K320H314-T318 WeakPolarHBondContact O-CB 3.41Å; H314-T318 WeakPolarHBondContact O-CG2 3.48Å; H314-T318 PolarHBondContact O-N 2.79Å; H314-T318 PolarHBondContact O-OG1 3.25Å; L315-T318 PolarHBondContact O-N 2.82Å; L315-T318 PolarHBondContact O-OG1 2.84Å; T318-K320 PolarHBondContact O-N 2.62Å; T318-K320 VanDerWaalsContact O-N 3.14Å
319L81.2Confident72.9Confident7 Ų764 Ų644%0.03735%0.353CS..  trans-58115.6177.3-94.9175.8000111.5L315 L316 V333 K379 L383L315-L319 WeakPolarHBondContact O-CB 3.41Å; L315-L319 VanDerWaalsContact O-CG 3.24Å; L315-L319 WeakPolarHBondContact O-CG 3.13Å; L315-L319 PolarHBondContact O-N 2.77Å; L316-L319 HydrophobicContact CD2-CD1 4Å; L319-V333 HydrophobicContact CD1-CG2 4.41Å; L319-V333 HydrophobicContact CD2-CG2 3.53Å; L319-V333 HydrophobicContact CG-CG2 3.93Å; L319-K379 HydrophobicContact CB-CG 4.39Å; L319-K379 WeakPolarHBondContact O-CE 3.42Å; L319-L383 HydrophobicContact CD1-CB 4.12Å
320K78Confident71.9Confident128 Ų12862.2 Ų62.256%0.55735%0.345SS*.  trans-73.6135.5174.7-62.2-172.1177.8-169.50110.6T318 K382T318-K320 PolarHBondContact O-N 2.62Å; T318-K320 VanDerWaalsContact O-N 3.14Å; K320-K382 PolarHBondContact O-NZ 2.88Å
321L72.3Confident71.3Confident33 Ų3364.1 Ų64.117%0.17336%0.362CS..  trans-97-6178.8-71.4-179.3000113.9N375 Q378 K379 K382L321-N375 HydrophobicContact CD1-CB 4.48Å; L321-N375 WeakPolarHBondContact CD1-OD1 3.41Å; L321-Q378 HydrophobicContact CD1-CB 4.32Å; L321-Q378 HydrophobicContact CD1-CG 4.32Å; L321-Q378 HydrophobicContact CD2-CB 4.28Å; L321-Q378 HydrophobicContact CD2-CG 3.83Å; L321-K379 HydrophobicContact CD1-CG 4.12Å; L321-K379 HydrophobicContact CD2-CG 3.77Å; L321-K379 HydrophobicContact CG-CG 3.98Å; L321-K382 HydrophobicContact CD2-CD 4.18Å
322D59.8Low70.7Confident119 Ų11966 Ų6664%0.63637%0.374SS*.  trans-56.2138.7-169.2-62.3-30.4000113.5N324D322-N324 PolarHBondContact O-N 3.22Å
323S51Low70.5Confident109 Ų10965.9 Ų65.976%0.76237%0.374SS*.SBendtrans-85.2101.9-163.5-51.50000111.5
324N47.1Very low70.5Confident127 Ų12762.8 Ų62.868%0.67936%0.36SS*.  trans-165.8123.6142.9-87.7-18000105.6D322 N326 D327D322-N324 PolarHBondContact O-N 3.22Å; N324-N326 PolarHBondContact O-N 2.85Å; N324-D327 PolarHBondContact O-N 2.95Å
325G45.6Very low70.7Confident34 Ų3461.6 Ų61.635%0.35136%0.355SS..THydrogen-bonded Turntrans-70.618.6-174.500000115.1E429G325-E429 VanDerWaalsContact CA-CD 3.49Å; G325-E429 WeakPolarHBondContact CA-OE2 3.49Å; G325-E429 PolarHBondContact N-OE1 3.31Å; G325-E429 PolarHBondContact N-OE2 2.83Å
326N44.1Very low71Confident122 Ų12261.5 Ų61.565%0.65235%0.354SS*.THydrogen-bonded Turntrans-107.4-0.8176.8-12714.5000113.3N324N324-N326 PolarHBondContact O-N 2.85Å
327D48.2Very low71.4Confident113 Ų11361.4 Ų61.460%0.60435%0.354SS*.SBendtrans-70.6131178.8-93.2-9.2000111.3N324 I329N324-D327 PolarHBondContact O-N 2.95Å; D327-I329 PolarHBondContact O-N 3.18Å
328P57.8Low71.9Confident112 Ų11256.8 Ų56.873%0.72733%0.329SS*.PPolyproline II helixtrans-58.2140176.324.2-32.2000109.9D330P328-D330 PolarHBondContact O-N 2.68Å
329I63.5Low72.5Confident58 Ų5853.9 Ų53.930%0.29731%0.311SS..PPolyproline II helixtrans-46.9128174.4-61.6173.4000108.3D327 P331 Q386D327-I329 PolarHBondContact O-N 3.18Å; I329-P331 WeakPolarHBondContact O-CD 3.48Å; I329-P331 VanDerWaalsContact O-N 3.12Å; I329-Q386 HydrophobicContact CG1-CG 4.43Å; I329-Q386 HydrophobicContact CG2-CG 4.41Å
330D70.9Confident73.1Confident33 Ų3353.5 Ų53.518%0.17631%0.309CS..PPolyproline II helixtrans-49.8123.6178-173.4-54.6000108.7P328 C332 V333 S334P328-D330 PolarHBondContact O-N 2.68Å; D330-C332 PolarHBondContact O-N 2.94Å; D330-C332 VanDerWaalsContact O-N 3.14Å; D330-C332 WeakPolarHBondContact OD1-CB 3.45Å; D330-C332 PolarHBondContact OD1-N 3.49Å; D330-V333 HydrophobicContact CB-CB 4.19Å; D330-V333 HydrophobicContact CB-CG2 4.08Å; D330-V333 PolarHBondContact O-N 3.29Å; D330-S334 PolarHBondContact O-N 3.05Å
331P77.7Confident73.8Confident78 Ų7849.5 Ų49.551%0.50629%0.292SS..Hα-helixtrans-51.3-40.2-176.2-29.635.2000113.3I329 S334 D335 K762I329-P331 WeakPolarHBondContact O-CD 3.48Å; I329-P331 VanDerWaalsContact O-N 3.12Å; P331-S334 PolarHBondContact O-N 2.97Å; P331-D335 PolarHBondContact O-N 2.96Å; P331-D335 VanDerWaalsContact O-OD2 3.12Å; P331-K762 PolarHBondContact O-NZ 3.37Å
332C81Confident74.9Confident38 Ų3849.3 Ų49.326%0.25729%0.292SS..Hα-helixtrans-69.1-38.9-178.6-62.10000111.5L315 D330 D335 F336L315-C332 HydrophobicContact CD2-CB 3.71Å; D330-C332 PolarHBondContact O-N 2.94Å; D330-C332 VanDerWaalsContact O-N 3.14Å; D330-C332 WeakPolarHBondContact OD1-CB 3.45Å; D330-C332 PolarHBondContact OD1-N 3.49Å; C332-D335 PolarHBondContact O-N 3.3Å; C332-F336 PolarHBondContact O-N 3.37Å
333V87Confident76.5Confident1 Ų144.1 Ų44.11%0.00626%0.264CS..Hα-helixtrans-68.5-40.9175.3176.90000111.1L315 L319 D330 D335 F336 L337 L383L315-V333 HydrophobicContact CD2-CG2 4.33Å; L319-V333 HydrophobicContact CD1-CG2 4.41Å; L319-V333 HydrophobicContact CD2-CG2 3.53Å; L319-V333 HydrophobicContact CG-CG2 3.93Å; D330-V333 HydrophobicContact CB-CB 4.19Å; D330-V333 HydrophobicContact CB-CG2 4.08Å; D330-V333 PolarHBondContact O-N 3.29Å; V333-D335 VanDerWaalsContact C-N 3.28Å; V333-D335 PolarHBondContact O-N 3.4Å; V333-F336 PolarHBondContact O-N 3.14Å; V333-L337 HydrophobicContact CG1-CD1 3.74Å; V333-L337 HydrophobicContact CG1-CG 4.09Å; V333-L337 WeakPolarHBondContact O-CB 3.34Å; V333-L337 VanDerWaalsContact O-CG 3.27Å; V333-L337 WeakPolarHBondContact O-CG 3.36Å; V333-L337 PolarHBondContact O-N 3.19Å; V333-L383 HydrophobicContact CG1-CD1 3.29Å
334S89Confident78.6Confident3 Ų339 Ų392%0.02123%0.227CC..Hα-helixtrans-63.4-34.3172.6-178.10000112.2D330 P331 L338 K762 R765D330-S334 PolarHBondContact O-N 3.05Å; P331-S334 PolarHBondContact O-N 2.97Å; S334-L338 WeakPolarHBondContact O-CB 3.39Å; S334-L338 WeakPolarHBondContact O-CD1 3.13Å; S334-L338 WeakPolarHBondContact O-CG 3.2Å; S334-L338 PolarHBondContact O-N 3.19Å; S334-L338 VanDerWaalsContact O-N 3.1Å; S334-K762 WeakPolarHBondContact OG-CE 3.31Å; S334-R765 PolarHBondContact OG-NH1 3.12Å
335D91.4Very high80.8Confident10 Ų1035.9 Ų35.95%0.05322%0.215CC..Hα-helixtrans-66.6-45.6176.7-67.5-28.6000111.2P331 C332 V333 T339 F751 A758 K762P331-D335 PolarHBondContact O-N 2.96Å; P331-D335 VanDerWaalsContact O-OD2 3.12Å; C332-D335 PolarHBondContact O-N 3.3Å; V333-D335 VanDerWaalsContact C-N 3.28Å; V333-D335 PolarHBondContact O-N 3.4Å; D335-T339 PolarHBondContact O-N 3.25Å; D335-T339 PolarHBondContact O-OG1 3.25Å; D335-F751 HydrophobicContact CB-CZ 4.25Å; D335-A758 HydrophobicContact CB-CB 4.01Å; D335-A758 WeakPolarHBondContact OD1-CB 3.26Å; D335-K762 VanDerWaalsContact CG-NZ 3.34Å; D335-K762 VanDerWaalsContact OD1-CE 3.29Å; D335-K762 WeakPolarHBondContact OD1-CE 3.47Å; D335-K762 IonicContact OD1-NZ 2.71Å; D335-K762 PolarHBondContact OD1-NZ 3.43Å; D335-K762 IonicContact OD2-NZ 3.8Å
336F94.5Very high82.9Confident0 Ų034.6 Ų34.60%020%0.2CC..Hα-helixtrans-59.7-53.5174.9179.9-91.7000111.3I311 L312 L315 C332 V333 L338 T339 H340 F343 M344 L349 F751I311-F336 HydrophobicContact CG2-CD2 3.76Å; I311-F336 HydrophobicContact CG2-CE2 4Å; L312-F336 HydrophobicContact CB-CE2 4.42Å; L312-F336 HydrophobicContact CB-CZ 4.17Å; L312-F336 HydrophobicContact CD1-CE1 4.15Å; L312-F336 HydrophobicContact CD1-CZ 4.06Å; L315-F336 HydrophobicContact CD1-CB 3.46Å; L315-F336 VanDerWaalsContact CD1-CB 3.46Å; L315-F336 HydrophobicContact CD1-CD1 4.18Å; L315-F336 HydrophobicContact CD1-CD2 3.42Å; L315-F336 VanDerWaalsContact CD1-CD2 3.42Å; L315-F336 HydrophobicContact CD1-CE2 4.17Å; L315-F336 HydrophobicContact CD1-CG 3.42Å; L315-F336 VanDerWaalsContact CD1-CG 3.42Å; C332-F336 PolarHBondContact O-N 3.37Å; V333-F336 PolarHBondContact O-N 3.14Å; F336-L338 VanDerWaalsContact C-N 3.29Å; F336-L338 PolarHBondContact O-N 3.28Å; F336-T339 CarbonylContact O-C 3.55Å; F336-T339 PolarHBondContact O-N 2.86Å; F336-H340 HydrophobicContact CD1-CB 4.31Å; F336-H340 HydrophobicContact CE1-CB 4.02Å; F336-H340 HydrophobicContact CZ-CB 4.22Å; F336-H340 WeakPolarHBondContact O-CA 3.49Å; F336-H340 WeakPolarHBondContact O-CB 3.37Å; F336-H340 PolarHBondContact O-N 2.91Å; F336-F343 HydrophobicContact CD2-CE2 4.19Å; F336-F343 AromaticContact CD2-CZ 3.73Å; F336-F343 HydrophobicContact CD2-CZ 3.73Å; F336-F343 AromaticContact CE2-CE2 3.71Å; F336-F343 HydrophobicContact CE2-CE2 3.71Å; F336-F343 AromaticContact CE2-CZ 3.72Å; F336-F343 HydrophobicContact CE2-CZ 3.72Å; F336-F343 HydrophobicContact CZ-CE2 4.5Å; F336-M344 HydrophobicContact CZ-SD 3.98Å; F336-L349 HydrophobicContact CE1-CD1 4.04Å; F336-L349 HydrophobicContact CE1-CD2 4.49Å; F336-L349 HydrophobicContact CZ-CD1 4.16Å; F336-F751 HydrophobicContact CB-CE2 4.24Å; F336-F751 HydrophobicContact CB-CZ 4.04Å; F336-F751 HydrophobicContact CD2-CE2 4.14Å
337L93.9Very high85.2Confident3 Ų331.2 Ų31.22%0.01619%0.186CC..Hα-helixtrans-64.8-29.6-176.6-67.1175.5000113.3V333 T339 H340 L383 Q386 W387 L390 Y391V333-L337 HydrophobicContact CG1-CD1 3.74Å; V333-L337 HydrophobicContact CG1-CG 4.09Å; V333-L337 WeakPolarHBondContact O-CB 3.34Å; V333-L337 VanDerWaalsContact O-CG 3.27Å; V333-L337 WeakPolarHBondContact O-CG 3.36Å; V333-L337 PolarHBondContact O-N 3.19Å; L337-T339 VanDerWaalsContact C-N 3.3Å; L337-H340 PolarHBondContact O-CD2 3.47Å; L337-L383 HydrophobicContact CD1-CD1 4.27Å; L337-L383 HydrophobicContact CD2-CD1 4.11Å; L337-L383 HydrophobicContact CG-CD1 4.3Å; L337-Q386 HydrophobicContact CD1-CB 3.87Å; L337-W387 HydrophobicContact CD1-CB 4.21Å; L337-W387 HydrophobicContact CD2-CB 3.78Å; L337-W387 HydrophobicContact CD2-CG 3.89Å; L337-L390 HydrophobicContact CB-CD1 4.09Å; L337-Y391 WeakPolarHBondContact O-CE2 3.33Å; L337-Y391 PolarHBondContact O-OH 3.31Å
338L93.2Very high87.3Confident2 Ų229 Ų291%0.0117%0.172CC..Hα-helixtrans-71.8-25.1175.1-78.9171.2000113.2S334 F336 L390 E593 V594 A758 V761 K762S334-L338 WeakPolarHBondContact O-CB 3.39Å; S334-L338 WeakPolarHBondContact O-CD1 3.13Å; S334-L338 WeakPolarHBondContact O-CG 3.2Å; S334-L338 PolarHBondContact O-N 3.19Å; S334-L338 VanDerWaalsContact O-N 3.1Å; F336-L338 VanDerWaalsContact C-N 3.29Å; F336-L338 PolarHBondContact O-N 3.28Å; L338-L390 HydrophobicContact CD2-CD1 3.84Å; L338-L390 HydrophobicContact CD2-CD2 4.01Å; L338-L390 HydrophobicContact CD2-CG 4.36Å; L338-L390 HydrophobicContact CG-CD1 3.89Å; L338-E593 HydrophobicContact CD2-CG 4.1Å; L338-V594 HydrophobicContact CD2-CG1 4.29Å; L338-A758 HydrophobicContact CB-CB 4.27Å; L338-A758 HydrophobicContact CD1-CB 4.01Å; L338-V761 HydrophobicContact CD1-CB 4.33Å; L338-V761 HydrophobicContact CD1-CG1 4.15Å; L338-V761 HydrophobicContact CD2-CG1 3.88Å; L338-K762 HydrophobicContact CD1-CG 4.06Å
339T94.6Very high89Confident1 Ų123.8 Ų23.81%0.00614%0.138CC..Hα-helixtrans-122.3-6-167.960.20000114.1D335 F336 L337 K341 V342 M754 A758D335-T339 PolarHBondContact O-N 3.25Å; D335-T339 PolarHBondContact O-OG1 3.25Å; F336-T339 CarbonylContact O-C 3.55Å; F336-T339 PolarHBondContact O-N 2.86Å; L337-T339 VanDerWaalsContact C-N 3.3Å; T339-K341 VanDerWaalsContact C-N 3.27Å; T339-K341 PolarHBondContact O-N 3.12Å; T339-K341 VanDerWaalsContact O-N 3.14Å; T339-V342 VanDerWaalsContact O-CB 3.22Å; T339-V342 WeakPolarHBondContact O-CB 3.33Å; T339-V342 WeakPolarHBondContact O-CG2 3.21Å; T339-V342 PolarHBondContact O-N 2.85Å; T339-M754 HydrophobicContact CG2-CB 4.16Å; T339-A758 HydrophobicContact CG2-CB 4.21Å
340H94.9Very high90.4Very high0 Ų021.5 Ų21.50%013%0.127CC..G310 helixtrans-54.8-41.6-171.68186.5000112.1F336 L337 V342 F343 M344 W387F336-H340 HydrophobicContact CD1-CB 4.31Å; F336-H340 HydrophobicContact CE1-CB 4.02Å; F336-H340 HydrophobicContact CZ-CB 4.22Å; F336-H340 WeakPolarHBondContact O-CA 3.49Å; F336-H340 WeakPolarHBondContact O-CB 3.37Å; F336-H340 PolarHBondContact O-N 2.91Å; L337-H340 PolarHBondContact O-CD2 3.47Å; H340-V342 PolarHBondContact O-N 2.92Å; H340-F343 HydrophobicContact CB-CZ 4.39Å; H340-F343 PolarHBondContact O-N 3.36Å; H340-M344 CarbonylContact C-O 3.49Å; H340-M344 VanDerWaalsContact C-O 3.3Å; H340-M344 PolarHBondContact ND1-O 3.35Å; H340-M344 CarbonylContact O-C 3.58Å; H340-M344 VanDerWaalsContact O-C 3.3Å; H340-M344 WeakPolarHBondContact O-CA 3.39Å; H340-M344 PolarHBondContact O-N 3.42Å; H340-W387 AromaticContact NE2-CE2 3.9Å; H340-W387 AromaticContact NE2-NE1 3.27Å; H340-W387 PolarHBondContact NE2-NE1 3.38Å
341K92.8Very high91.3Very high43 Ų4323.5 Ų23.519%0.18714%0.143CC..G310 helixtrans-58.6-17.2-179.3-67.3-152.5-178.6-1580114.1T339 S346 D398 Y598 F606T339-K341 VanDerWaalsContact C-N 3.27Å; T339-K341 PolarHBondContact O-N 3.12Å; T339-K341 VanDerWaalsContact O-N 3.14Å; K341-S346 WeakPolarHBondContact CE-OG 3.49Å; K341-S346 PolarHBondContact NZ-OG 3.4Å; K341-D398 IonicContact NZ-OD2 2.66Å; K341-D398 PolarHBondContact NZ-OD2 3.22Å; K341-Y598 HydrophobicContact CB-CE1 4.43Å; K341-Y598 HydrophobicContact CD-CE1 4.3Å; K341-F606 HydrophobicContact CB-CD1 4.01Å; K341-F606 HydrophobicContact CB-CE1 3.97Å
342V94Very high91.9Very high29 Ų2920.7 Ų20.718%0.17613%0.127CC..G310 helixtrans-70.5-35.7175.6176.20000112.1T339 H340 V597 F601 F606 M754T339-V342 VanDerWaalsContact O-CB 3.22Å; T339-V342 WeakPolarHBondContact O-CB 3.33Å; T339-V342 WeakPolarHBondContact O-CG2 3.21Å; T339-V342 PolarHBondContact O-N 2.85Å; H340-V342 PolarHBondContact O-N 2.92Å; V342-V597 HydrophobicContact CG2-CG1 3.86Å; V342-F601 HydrophobicContact CB-CE1 4.33Å; V342-F601 HydrophobicContact CB-CZ 4.31Å; V342-F601 HydrophobicContact CG1-CD1 3.77Å; V342-F601 HydrophobicContact CG1-CE1 3.26Å; V342-F601 HydrophobicContact CG1-CE2 4.26Å; V342-F601 HydrophobicContact CG1-CG 4.48Å; V342-F601 HydrophobicContact CG1-CZ 3.55Å; V342-F601 HydrophobicContact CG2-CD1 4.23Å; V342-F601 HydrophobicContact CG2-CD2 3.83Å; V342-F601 HydrophobicContact CG2-CE1 4.08Å; V342-F601 HydrophobicContact CG2-CE2 3.61Å; V342-F601 HydrophobicContact CG2-CG 4.13Å; V342-F601 HydrophobicContact CG2-CZ 3.77Å; V342-F606 HydrophobicContact CG2-CE1 4.45Å; V342-F606 HydrophobicContact CG2-CZ 4.23Å; V342-M754 HydrophobicContact CB-SD 4.35Å; V342-M754 HydrophobicContact CG1-CE 3.96Å; V342-M754 HydrophobicContact CG1-SD 4.08Å
343F94.8Very high92.3Very high11 Ų1119 Ų195%0.04812%0.115CC..THydrogen-bonded Turntrans-129.7-12.6-171.162.6-96.9000114.3P308 F336 H340 V749 F751 M754P308-F343 HydrophobicContact CB-CD2 4.08Å; P308-F343 HydrophobicContact CG-CD2 4.17Å; P308-F343 WeakPolarHBondContact CG-O 3.33Å; F336-F343 HydrophobicContact CD2-CE2 4.19Å; F336-F343 AromaticContact CD2-CZ 3.73Å; F336-F343 HydrophobicContact CD2-CZ 3.73Å; F336-F343 AromaticContact CE2-CE2 3.71Å; F336-F343 HydrophobicContact CE2-CE2 3.71Å; F336-F343 AromaticContact CE2-CZ 3.72Å; F336-F343 HydrophobicContact CE2-CZ 3.72Å; F336-F343 HydrophobicContact CZ-CE2 4.5Å; H340-F343 HydrophobicContact CB-CZ 4.39Å; H340-F343 PolarHBondContact O-N 3.36Å; F343-V749 HydrophobicContact CB-CB 4.43Å; F343-V749 HydrophobicContact CB-CG1 3.82Å; F343-V749 HydrophobicContact CB-CG2 3.67Å; F343-V749 HydrophobicContact CD1-CG1 3.77Å; F343-V749 HydrophobicContact CD2-CG1 4.11Å; F343-V749 HydrophobicContact CD2-CG2 3.97Å; F343-V749 HydrophobicContact CE1-CG1 4.37Å; F343-V749 HydrophobicContact CG-CB 4.44Å; F343-V749 HydrophobicContact CG-CG1 3.63Å; F343-V749 HydrophobicContact CG-CG2 3.95Å; F343-F751 HydrophobicContact CZ-CD2 4.48Å; F343-F751 HydrophobicContact CZ-CE2 4.25Å; F343-M754 HydrophobicContact CD1-CG 4.15Å; F343-M754 HydrophobicContact CD1-SD 4.33Å; F343-M754 HydrophobicContact CE1-CG 4.06Å
344M94.7Very high92.3Very high0 Ų022.4 Ų22.40%013%0.131CC..SBendtrans-145.291.9-179.7-161.8179.4-160.300109.3P308 L312 F336 H340 Q348 L349 A352P308-M344 HydrophobicContact CB-CB 4.07Å; P308-M344 HydrophobicContact CB-CE 4.5Å; P308-M344 HydrophobicContact CB-CG 4.06Å; P308-M344 HydrophobicContact CB-SD 4.15Å; L312-M344 HydrophobicContact CD2-CE 4.04Å; L312-M344 HydrophobicContact CD2-SD 4.5Å; F336-M344 HydrophobicContact CZ-SD 3.98Å; H340-M344 CarbonylContact C-O 3.49Å; H340-M344 VanDerWaalsContact C-O 3.3Å; H340-M344 PolarHBondContact ND1-O 3.35Å; H340-M344 CarbonylContact O-C 3.58Å; H340-M344 VanDerWaalsContact O-C 3.3Å; H340-M344 WeakPolarHBondContact O-CA 3.39Å; H340-M344 PolarHBondContact O-N 3.42Å; M344-Q348 HydrophobicContact CE-CG 4.03Å; M344-Q348 HydrophobicContact CG-CB 4.09Å; M344-Q348 HydrophobicContact CG-CG 3.99Å; M344-L349 HydrophobicContact CE-CD1 4.42Å; M344-L349 HydrophobicContact CG-CB 4.27Å; M344-L349 HydrophobicContact SD-CB 4.18Å; M344-L349 HydrophobicContact SD-CD1 3.92Å; M344-A352 HydrophobicContact CE-CB 3.54Å
345P92.6Very high92.1Very high63 Ų6330.2 Ų30.241%0.40917%0.167SC..  trans-55.5160.1176.7-2535.4000112.9S347 Q348 L349P345-S347 VanDerWaalsContact C-N 3.29Å; P345-S347 PolarHBondContact O-N 3.47Å; P345-Q348 PolarHBondContact O-N 3.35Å; P345-Q348 VanDerWaalsContact O-N 3.09Å; P345-L349 PolarHBondContact O-N 3.04Å
346S91.3Very high91.6Very high6 Ų631.6 Ų31.64%0.04217%0.173CC..Hα-helixtrans-51.9-45.4-179.6-61.70000112.6K341 Q348 L349 C350 D398K341-S346 WeakPolarHBondContact CE-OG 3.49Å; K341-S346 PolarHBondContact NZ-OG 3.4Å; S346-Q348 PolarHBondContact O-N 3.37Å; S346-L349 PolarHBondContact O-N 3.08Å; S346-C350 WeakPolarHBondContact O-CB 3.42Å; S346-C350 PolarHBondContact O-N 3.22Å; S346-C350 PolarHBondContact O-SG 2.94Å; S346-D398 WeakPolarHBondContact CB-OD2 3.4Å; S346-D398 PolarHBondContact OG-OD2 3.36Å
347S90.8Very high90.8Very high52 Ų5232 Ų3236%0.36418%0.175SC..Hα-helixtrans-56.6-47.8176.615.30000113P345 C350 S351 E400P345-S347 VanDerWaalsContact C-N 3.29Å; P345-S347 PolarHBondContact O-N 3.47Å; S347-C350 PolarHBondContact O-N 3.5Å; S347-S351 WeakPolarHBondContact O-CB 3.42Å; S347-S351 PolarHBondContact O-N 3Å; S347-E400 WeakPolarHBondContact CA-OE2 3.5Å; S347-E400 WeakPolarHBondContact CB-OE2 3.4Å; S347-E400 PolarHBondContact N-OE2 2.81Å; S347-E400 PolarHBondContact OG-OE2 3.05Å
348Q93.5Very high89.8Confident67 Ų6735.2 Ų35.231%0.31320%0.196SC..Hα-helixtrans-66.1-42.4179.8-170.9-179.27.900110.9E309 M344 P345 S346 S351 A352E309-Q348 PolarHBondContact OE1-NE2 3.42Å; M344-Q348 HydrophobicContact CE-CG 4.03Å; M344-Q348 HydrophobicContact CG-CB 4.09Å; M344-Q348 HydrophobicContact CG-CG 3.99Å; P345-Q348 PolarHBondContact O-N 3.35Å; P345-Q348 VanDerWaalsContact O-N 3.09Å; S346-Q348 PolarHBondContact O-N 3.37Å; Q348-S351 PolarHBondContact O-N 3.24Å; Q348-A352 WeakPolarHBondContact O-CB 3.27Å; Q348-A352 PolarHBondContact O-N 3.49Å
349L93.4Very high88.5Confident2 Ų235.7 Ų35.71%0.0120%0.2CC..Hα-helixtrans-62.5-47.417617959.2000111.6L312 F336 M344 P345 S346 S351 A352 L353 W387L312-L349 HydrophobicContact CD1-CD1 4.11Å; L312-L349 HydrophobicContact CD2-CD1 3.84Å; F336-L349 HydrophobicContact CE1-CD1 4.04Å; F336-L349 HydrophobicContact CE1-CD2 4.49Å; F336-L349 HydrophobicContact CZ-CD1 4.16Å; M344-L349 HydrophobicContact CE-CD1 4.42Å; M344-L349 HydrophobicContact CG-CB 4.27Å; M344-L349 HydrophobicContact SD-CB 4.18Å; M344-L349 HydrophobicContact SD-CD1 3.92Å; P345-L349 PolarHBondContact O-N 3.04Å; S346-L349 PolarHBondContact O-N 3.08Å; L349-S351 VanDerWaalsContact C-N 3.33Å; L349-S351 PolarHBondContact O-N 2.85Å; L349-A352 PolarHBondContact O-N 3.49Å; L349-L353 HydrophobicContact CD1-CD1 3.96Å; L349-L353 HydrophobicContact CD1-CG 4.04Å; L349-L353 HydrophobicContact CG-CD1 3.96Å; L349-L353 HydrophobicContact CG-CG 4.45Å; L349-L353 WeakPolarHBondContact O-CB 3.38Å; L349-L353 VanDerWaalsContact O-CG 3.25Å; L349-L353 WeakPolarHBondContact O-CG 3.45Å; L349-L353 PolarHBondContact O-N 3.33Å; L349-W387 HydrophobicContact CD2-CH2 4.33Å; L349-W387 HydrophobicContact CD2-CZ2 4.1Å
350C92.1Very high87.3Confident9 Ų944.3 Ų44.36%0.06124%0.24CC..Hα-helixtrans-59.4-43.5176.3-72.80000111.8S346 S347 Q354 F404S346-C350 WeakPolarHBondContact O-CB 3.42Å; S346-C350 PolarHBondContact O-N 3.22Å; S346-C350 PolarHBondContact O-SG 2.94Å; S347-C350 PolarHBondContact O-N 3.5Å; C350-Q354 WeakPolarHBondContact O-CB 3.1Å; C350-Q354 PolarHBondContact O-N 3.39Å; C350-F404 HydrophobicContact CB-CB 4.15Å; C350-F404 HydrophobicContact CB-CD1 4.14Å; C350-F404 HydrophobicContact CB-CD2 4.18Å; C350-F404 HydrophobicContact CB-CG 3.88Å; C350-F404 VanDerWaalsContact SG-CD1 3.6Å
351S90.6Very high86Confident75 Ų7546.9 Ų46.952%0.52425%0.254SS..Hα-helixtrans-63.7-43.8176.9-179.10000112.4S347 Q348 L349 Q354 H355S347-S351 WeakPolarHBondContact O-CB 3.42Å; S347-S351 PolarHBondContact O-N 3Å; Q348-S351 PolarHBondContact O-N 3.24Å; L349-S351 VanDerWaalsContact C-N 3.33Å; L349-S351 PolarHBondContact O-N 2.85Å; S351-Q354 PolarHBondContact O-N 2.68Å; S351-H355 PolarHBondContact O-N 2.79Å
352A90.1Very high84.3Confident20 Ų2050.3 Ų50.317%0.16528%0.283CS..Hα-helixtrans-65.1-44.2178.200000112.1L312 M344 Q348 L349 Q354 H355 Q356L312-A352 HydrophobicContact CD2-CB 3.71Å; M344-A352 HydrophobicContact CE-CB 3.54Å; Q348-A352 WeakPolarHBondContact O-CB 3.27Å; Q348-A352 PolarHBondContact O-N 3.49Å; L349-A352 PolarHBondContact O-N 3.49Å; A352-Q354 VanDerWaalsContact C-N 3.3Å; A352-Q354 PolarHBondContact O-N 3.05Å; A352-H355 PolarHBondContact O-N 3.17Å; A352-Q356 PolarHBondContact O-N 2.81Å
353L89.3Confident82.9Confident2 Ų257.3 Ų57.31%0.0131%0.311CS..Hα-helixtrans-62.8-38175-67.5172.3000111.6L312 L316 L349 H355 Q356 Y357 V380 L383 I384 F404L312-L353 HydrophobicContact CD1-CD2 4.14Å; L312-L353 HydrophobicContact CD2-CD2 4.17Å; L312-L353 HydrophobicContact CD2-CG 4.44Å; L316-L353 HydrophobicContact CD1-CD2 4.35Å; L349-L353 HydrophobicContact CD1-CD1 3.96Å; L349-L353 HydrophobicContact CD1-CG 4.04Å; L349-L353 HydrophobicContact CG-CD1 3.96Å; L349-L353 HydrophobicContact CG-CG 4.45Å; L349-L353 WeakPolarHBondContact O-CB 3.38Å; L349-L353 VanDerWaalsContact O-CG 3.25Å; L349-L353 WeakPolarHBondContact O-CG 3.45Å; L349-L353 PolarHBondContact O-N 3.33Å; L353-H355 VanDerWaalsContact C-N 3.34Å; L353-Q356 PolarHBondContact O-N 3.49Å; L353-Y357 VanDerWaalsContact O-CB 3.31Å; L353-Y357 WeakPolarHBondContact O-CB 3.27Å; L353-Y357 PolarHBondContact O-N 2.97Å; L353-V380 HydrophobicContact CD2-CG1 4.22Å; L353-L383 HydrophobicContact CD2-CD2 3.85Å; L353-I384 HydrophobicContact CD1-CD1 4.19Å; L353-I384 HydrophobicContact CD1-CG1 4.02Å; L353-F404 HydrophobicContact CB-CZ 4.11Å
354Q86.8Confident81.9Confident73 Ų7358.7 Ų58.734%0.34133%0.329SS..Hα-helixtrans-65.1-36.9175.2-171.7174-0.900112.1C350 S351 A352 P358 F404C350-Q354 WeakPolarHBondContact O-CB 3.1Å; C350-Q354 PolarHBondContact O-N 3.39Å; S351-Q354 PolarHBondContact O-N 2.68Å; A352-Q354 VanDerWaalsContact C-N 3.3Å; A352-Q354 PolarHBondContact O-N 3.05Å; Q354-P358 WeakPolarHBondContact O-CD 3.29Å; Q354-F404 HydrophobicContact CB-CE2 4.08Å
355H85.3Confident81.2Confident166 Ų16661.4 Ų61.477%0.76935%0.348SS*.Hα-helixtrans-69.4-35.6176.2-175.6-90.6000112.2S351 A352 L353S351-H355 PolarHBondContact O-N 2.79Å; A352-H355 PolarHBondContact O-N 3.17Å; L353-H355 VanDerWaalsContact C-N 3.34Å
356Q80.9Confident80.5Confident39 Ų3964.2 Ų64.218%0.18236%0.36CS..Hα-helixtrans-82.9-23.5-176.9-161.2162.3500113.7L316 A352 L353 A359 T376L316-Q356 HydrophobicContact CD1-CG 4.36Å; A352-Q356 PolarHBondContact O-N 2.81Å; L353-Q356 PolarHBondContact O-N 3.49Å; Q356-A359 PolarHBondContact O-N 3.45Å; Q356-T376 HydrophobicContact CG-CG2 4.35Å
357Y78Confident79.9Confident9 Ų971.9 Ų71.94%0.03539%0.394CS..SBendtrans-67-41.1-175.9-174.1-95.6000115.5L353 A359 K377 V380 V381 L409 E412 V413L353-Y357 VanDerWaalsContact O-CB 3.31Å; L353-Y357 WeakPolarHBondContact O-CB 3.27Å; L353-Y357 PolarHBondContact O-N 2.97Å; Y357-A359 PolarHBondContact O-N 2.9Å; Y357-K377 HydrophobicContact CD2-CB 4.4Å; Y357-K377 HydrophobicContact CD2-CG 4.07Å; Y357-K377 HydrophobicContact CE1-CD 4.31Å; Y357-K377 HydrophobicContact CE1-CG 4.41Å; Y357-K377 HydrophobicContact CE2-CB 3.96Å; Y357-K377 HydrophobicContact CE2-CD 4.43Å; Y357-K377 HydrophobicContact CE2-CG 3.86Å; Y357-K377 HydrophobicContact CG-CG 4.45Å; Y357-K377 VanDerWaalsContact O-CE 3.23Å; Y357-K377 WeakPolarHBondContact O-CE 3.32Å; Y357-K377 VanDerWaalsContact O-CG 3.26Å; Y357-K377 WeakPolarHBondContact O-CG 3.35Å; Y357-V380 HydrophobicContact CD2-CB 4.19Å; Y357-V380 HydrophobicContact CD2-CG1 3.85Å; Y357-V381 HydrophobicContact CE2-CG2 4.01Å; Y357-L409 HydrophobicContact CD1-CD1 4.28Å; Y357-L409 HydrophobicContact CD2-CD1 3.91Å; Y357-L409 HydrophobicContact CE1-CD1 4.15Å; Y357-L409 HydrophobicContact CE2-CD1 3.76Å; Y357-L409 HydrophobicContact CG-CD1 4.16Å; Y357-E412 WeakPolarHBondContact CD1-OE2 3.44Å; Y357-E412 HydrophobicContact CE1-CB 3.89Å; Y357-E412 WeakPolarHBondContact CE1-OE2 3.42Å; Y357-V413 WeakPolarHBondContact OH-CG2 3.13Å
358P72.5Confident79.4Confident71 Ų7174.9 Ų74.946%0.46140%0.403SS..SBendtrans-59.5-30.9174.7-25.634.1000113.2Q354Q354-P358 WeakPolarHBondContact O-CD 3.29Å
359A65.9Low78.8Confident12 Ų1274.7 Ų74.710%0.09940%0.401CS..  trans44103.8178.200000114Q356 Y357 Y372 I373 T376Q356-A359 PolarHBondContact O-N 3.45Å; Y357-A359 PolarHBondContact O-N 2.9Å; A359-Y372 HydrophobicContact CB-CE1 4.37Å; A359-I373 WeakPolarHBondContact O-CG1 3.25Å; A359-T376 HydrophobicContact CB-CG2 3.75Å
360E68.3Low78.2Confident181 Ų18179 Ų7985%0.84643%0.427SS*.  trans-107127.8177-65.9-174.5178.500111.3
361L67.8Low77.7Confident55 Ų5581.4 Ų81.429%0.28845%0.448SS..  trans-112.4111.3174.5-155.788.8000109.4K363 K369 Y372L361-K363 VanDerWaalsContact C-N 3.35Å; L361-K363 WeakPolarHBondContact CD2-O 3.5Å; L361-K363 PolarHBondContact O-N 3.32Å; L361-K369 HydrophobicContact CB-CG 4.34Å; L361-K369 HydrophobicContact CD2-CG 4.31Å; L361-Y372 HydrophobicContact CB-CD1 3.94Å; L361-Y372 HydrophobicContact CB-CE1 4.29Å; L361-Y372 HydrophobicContact CD1-CD1 3.52Å; L361-Y372 HydrophobicContact CD1-CD2 3.87Å; L361-Y372 HydrophobicContact CD1-CE1 3.49Å; L361-Y372 VanDerWaalsContact CD1-CE1 3.49Å; L361-Y372 HydrophobicContact CD1-CE2 3.85Å; L361-Y372 HydrophobicContact CD1-CG 3.7Å; L361-Y372 HydrophobicContact CD2-CG 4.39Å; L361-Y372 HydrophobicContact CG-CD1 4.21Å; L361-Y372 HydrophobicContact CG-CE1 4.49Å; L361-Y372 HydrophobicContact CG-CG 4.44Å
362S57.9Low77.3Confident115 Ų11582.4 Ų82.480%0.80444%0.441SS*.SBendtrans-75.9-17.6-172.358.60000114.5
363K64Low76.9Confident175 Ų17583.9 Ų83.976%0.76145%0.445SS*.SBendtrans-137.2142-177.2-63.3-177.9-178.8178.50110.8L361L361-K363 VanDerWaalsContact C-N 3.35Å; L361-K363 WeakPolarHBondContact CD2-O 3.5Å; L361-K363 PolarHBondContact O-N 3.32Å
364G74.6Confident76.7Confident41 Ų4185.7 Ų85.742%0.42345%0.453SS..SBendtrans131.5167.9178.900000113.2K369G364-K369 WeakPolarHBondContact O-CE 3.34Å
365S79.4Confident76.5Confident57 Ų5785.3 Ų85.340%0.39945%0.454SS..  trans-68.3157.9172.265.60000111.5Q367 E368 K369S365-Q367 PolarHBondContact O-N 3.33Å; S365-E368 WeakPolarHBondContact CB-OE2 3.47Å; S365-E368 PolarHBondContact N-OE2 2.92Å; S365-E368 PolarHBondContact O-N 2.92Å; S365-E368 VanDerWaalsContact O-N 3.14Å; S365-E368 WeakPolarHBondContact OG-CB 3.38Å; S365-E368 WeakPolarHBondContact OG-CG 3.42Å; S365-E368 PolarHBondContact OG-N 3.33Å; S365-E368 PolarHBondContact OG-OE2 3.01Å; S365-K369 WeakPolarHBondContact O-CG 3.4Å; S365-K369 PolarHBondContact O-N 2.99Å
366D78.5Confident76.5Confident122 Ų12278.1 Ų78.165%0.65242%0.421SS*.Hα-helixtrans-62.2-29.1-179.6-66.1-24.2000112.7K369 T370D366-K369 IonicContact OD1-NZ 2.64Å; D366-T370 WeakPolarHBondContact O-CB 3.34Å; D366-T370 PolarHBondContact O-N 3.33Å; D366-T370 PolarHBondContact O-OG1 2.92Å
367Q79.4Confident76.8Confident166 Ų16678.5 Ų78.578%0.77642%0.423SS*.Hα-helixtrans-71-42.4175-169.5169.8-2.500112.1S365 T370 A371S365-Q367 PolarHBondContact O-N 3.33Å; Q367-T370 PolarHBondContact O-N 3.36Å; Q367-A371 WeakPolarHBondContact O-CB 3.46Å; Q367-A371 PolarHBondContact O-N 3.36Å
368E79.9Confident77.1Confident116 Ų11679.9 Ų79.954%0.54243%0.429SS..Hα-helixtrans-66.5-41.4175.3-72.3163.1153.700111.7S365 A371 Y372S365-E368 WeakPolarHBondContact CB-OE2 3.47Å; S365-E368 PolarHBondContact N-OE2 2.92Å; S365-E368 PolarHBondContact O-N 2.92Å; S365-E368 VanDerWaalsContact O-N 3.14Å; S365-E368 WeakPolarHBondContact OG-CB 3.38Å; S365-E368 WeakPolarHBondContact OG-CG 3.42Å; S365-E368 PolarHBondContact OG-N 3.33Å; S365-E368 PolarHBondContact OG-OE2 3.01Å; E368-A371 PolarHBondContact O-N 3.45Å; E368-Y372 WeakPolarHBondContact O-CB 3.29Å; E368-Y372 PolarHBondContact O-N 3.42Å
369K79.9Confident77.8Confident63 Ų6377.9 Ų77.927%0.27441%0.413SS..Hα-helixtrans-58.7-49.4174.4-70.9174.2-178.9163.80111L361 G364 S365 D366 A371 Y372 I373L361-K369 HydrophobicContact CB-CG 4.34Å; L361-K369 HydrophobicContact CD2-CG 4.31Å; G364-K369 WeakPolarHBondContact O-CE 3.34Å; S365-K369 WeakPolarHBondContact O-CG 3.4Å; S365-K369 PolarHBondContact O-N 2.99Å; D366-K369 IonicContact OD1-NZ 2.64Å; K369-A371 VanDerWaalsContact C-N 3.34Å; K369-A371 PolarHBondContact O-N 3.29Å; K369-Y372 PolarHBondContact O-N 2.6Å; K369-I373 WeakPolarHBondContact O-CB 3.41Å; K369-I373 WeakPolarHBondContact O-CD1 3.28Å; K369-I373 WeakPolarHBondContact O-CG1 3.43Å; K369-I373 PolarHBondContact O-N 3.19Å
370T80.4Confident78.9Confident91 Ų9177.3 Ų77.356%0.55841%0.409SS*.Hα-helixtrans-62.4-41.5179.6-560000111.7D366 Q367 F374D366-T370 WeakPolarHBondContact O-CB 3.34Å; D366-T370 PolarHBondContact O-N 3.33Å; D366-T370 PolarHBondContact O-OG1 2.92Å; Q367-T370 PolarHBondContact O-N 3.36Å; T370-F374 WeakPolarHBondContact O-CB 3.32Å; T370-F374 PolarHBondContact O-N 2.89Å; T370-F374 VanDerWaalsContact O-N 3.07Å
371A82.3Confident79.7Confident60 Ų6069 Ų6950%0.49637%0.371SS..Hα-helixtrans-66.3-42.9177.400000112.5Q367 E368 K369 F374 N375Q367-A371 WeakPolarHBondContact O-CB 3.46Å; Q367-A371 PolarHBondContact O-N 3.36Å; E368-A371 PolarHBondContact O-N 3.45Å; K369-A371 VanDerWaalsContact C-N 3.34Å; K369-A371 PolarHBondContact O-N 3.29Å; A371-F374 PolarHBondContact O-N 2.98Å; A371-N375 WeakPolarHBondContact O-CB 3.11Å; A371-N375 PolarHBondContact O-N 3.35Å
372Y82.4Confident80.6Confident97 Ų9768.1 Ų68.138%0.3836%0.364SS..Hα-helixtrans-62.2-50.2176.4175.9-95.2000111.8A359 L361 E368 K369 F374 N375 T376A359-Y372 HydrophobicContact CB-CE1 4.37Å; L361-Y372 HydrophobicContact CB-CD1 3.94Å; L361-Y372 HydrophobicContact CB-CE1 4.29Å; L361-Y372 HydrophobicContact CD1-CD1 3.52Å; L361-Y372 HydrophobicContact CD1-CD2 3.87Å; L361-Y372 HydrophobicContact CD1-CE1 3.49Å; L361-Y372 VanDerWaalsContact CD1-CE1 3.49Å; L361-Y372 HydrophobicContact CD1-CE2 3.85Å; L361-Y372 HydrophobicContact CD1-CG 3.7Å; L361-Y372 HydrophobicContact CD2-CG 4.39Å; L361-Y372 HydrophobicContact CG-CD1 4.21Å; L361-Y372 HydrophobicContact CG-CE1 4.49Å; L361-Y372 HydrophobicContact CG-CG 4.44Å; E368-Y372 WeakPolarHBondContact O-CB 3.29Å; E368-Y372 PolarHBondContact O-N 3.42Å; K369-Y372 PolarHBondContact O-N 2.6Å; Y372-F374 VanDerWaalsContact C-N 3.28Å; Y372-F374 PolarHBondContact O-N 3.44Å; Y372-N375 PolarHBondContact O-N 3.06Å; Y372-T376 PolarHBondContact O-N 3.34Å; Y372-T376 PolarHBondContact O-OG1 2.95Å; Y372-T376 VanDerWaalsContact O-OG1 3.12Å
373I82.4Confident82Confident50 Ų5062.8 Ų62.826%0.25633%0.326SS..Hα-helixtrans-55.7-47.4178.4-68.2167.1000110.2A359 K369 T376 K377A359-I373 WeakPolarHBondContact O-CG1 3.25Å; K369-I373 WeakPolarHBondContact O-CB 3.41Å; K369-I373 WeakPolarHBondContact O-CD1 3.28Å; K369-I373 WeakPolarHBondContact O-CG1 3.43Å; K369-I373 PolarHBondContact O-N 3.19Å; I373-T376 PolarHBondContact O-N 3.21Å; I373-K377 HydrophobicContact CG2-CD 4.08Å; I373-K377 WeakPolarHBondContact O-CB 3.37Å; I373-K377 VanDerWaalsContact O-CG 3.32Å; I373-K377 WeakPolarHBondContact O-CG 3.46Å; I373-K377 PolarHBondContact O-N 3.04Å
374F83.6Confident83.2Confident40 Ų4054.4 Ų54.418%0.17529%0.29CS..Hα-helixtrans-62.4-45.1178.9-178-101.1000112.3T370 A371 Y372 K377 Q378 R418 L419 I422T370-F374 WeakPolarHBondContact O-CB 3.32Å; T370-F374 PolarHBondContact O-N 2.89Å; T370-F374 VanDerWaalsContact O-N 3.07Å; A371-F374 PolarHBondContact O-N 2.98Å; Y372-F374 VanDerWaalsContact C-N 3.28Å; Y372-F374 PolarHBondContact O-N 3.44Å; F374-K377 PolarHBondContact O-N 2.91Å; F374-Q378 WeakPolarHBondContact O-CB 3.31Å; F374-Q378 PolarHBondContact O-N 3.23Å; F374-R418 HydrophobicContact CE2-CB 3.55Å; F374-R418 HydrophobicContact CE2-CG 4.45Å; F374-R418 HydrophobicContact CZ-CB 3.82Å; F374-L419 HydrophobicContact CD2-CD2 4.42Å; F374-L419 HydrophobicContact CE2-CD2 3.79Å; F374-L419 HydrophobicContact CE2-CG 3.93Å; F374-L419 HydrophobicContact CZ-CD2 4.17Å; F374-I422 HydrophobicContact CZ-CD1 4.13Å
375N83.9Confident83.7Confident65 Ų6552.5 Ų52.535%0.34827%0.271SS..Hα-helixtrans-61.7-46.9178.9-172.1-33.3000111.5L321 A371 Y372 K377 Q378 K379L321-N375 HydrophobicContact CD1-CB 4.48Å; L321-N375 WeakPolarHBondContact CD1-OD1 3.41Å; A371-N375 WeakPolarHBondContact O-CB 3.11Å; A371-N375 PolarHBondContact O-N 3.35Å; Y372-N375 PolarHBondContact O-N 3.06Å; N375-K377 PolarHBondContact O-N 3.37Å; N375-Q378 WeakPolarHBondContact O-CB 3.25Å; N375-Q378 PolarHBondContact O-N 3.44Å; N375-K379 WeakPolarHBondContact O-CG 3.2Å; N375-K379 PolarHBondContact O-N 2.97Å; N375-K379 WeakPolarHBondContact OD1-CD 3.41Å; N375-K379 WeakPolarHBondContact OD1-CE 3.38Å
376T83.9Confident84Confident15 Ų1550.4 Ų50.49%0.09225%0.254CS..Hα-helixtrans-60.5-47.3176.9-58.80000111.5Q356 A359 Y372 I373 Q378 K379 V380Q356-T376 HydrophobicContact CG-CG2 4.35Å; A359-T376 HydrophobicContact CB-CG2 3.75Å; Y372-T376 PolarHBondContact O-N 3.34Å; Y372-T376 PolarHBondContact O-OG1 2.95Å; Y372-T376 VanDerWaalsContact O-OG1 3.12Å; I373-T376 PolarHBondContact O-N 3.21Å; T376-Q378 VanDerWaalsContact C-N 3.32Å; T376-Q378 PolarHBondContact O-N 2.75Å; T376-K379 PolarHBondContact O-N 3.21Å; T376-V380 WeakPolarHBondContact O-CG2 3.25Å; T376-V380 PolarHBondContact O-N 2.9Å
377K86.9Confident84.5Confident48 Ų4844.7 Ų44.721%0.20922%0.224CC..Hα-helixtrans-59.4-43.2175-73.3179.4178.2-178.70111.9Y357 I373 F374 N375 K379 V380 V381 L419Y357-K377 HydrophobicContact CD2-CB 4.4Å; Y357-K377 HydrophobicContact CD2-CG 4.07Å; Y357-K377 HydrophobicContact CE1-CD 4.31Å; Y357-K377 HydrophobicContact CE1-CG 4.41Å; Y357-K377 HydrophobicContact CE2-CB 3.96Å; Y357-K377 HydrophobicContact CE2-CD 4.43Å; Y357-K377 HydrophobicContact CE2-CG 3.86Å; Y357-K377 HydrophobicContact CG-CG 4.45Å; Y357-K377 VanDerWaalsContact O-CE 3.23Å; Y357-K377 WeakPolarHBondContact O-CE 3.32Å; Y357-K377 VanDerWaalsContact O-CG 3.26Å; Y357-K377 WeakPolarHBondContact O-CG 3.35Å; I373-K377 HydrophobicContact CG2-CD 4.08Å; I373-K377 WeakPolarHBondContact O-CB 3.37Å; I373-K377 VanDerWaalsContact O-CG 3.32Å; I373-K377 WeakPolarHBondContact O-CG 3.46Å; I373-K377 PolarHBondContact O-N 3.04Å; F374-K377 PolarHBondContact O-N 2.91Å; N375-K377 PolarHBondContact O-N 3.37Å; K377-K379 PolarHBondContact O-N 3.31Å; K377-V380 PolarHBondContact O-N 3.44Å; K377-V381 WeakPolarHBondContact O-CB 3.24Å; K377-V381 WeakPolarHBondContact O-CG2 3.38Å; K377-V381 PolarHBondContact O-N 3.26Å; K377-L419 HydrophobicContact CB-CD1 3.8Å; K377-L419 HydrophobicContact CD-CD1 4.37Å
378Q85.8Confident84.8Confident37 Ų3736.8 Ų36.817%0.17319%0.187CC..Hα-helixtrans-62.7-40.5177.9-168.4-177.9-5.500112.2L321 F374 N375 T376 V381 K382 L419L321-Q378 HydrophobicContact CD1-CB 4.32Å; L321-Q378 HydrophobicContact CD1-CG 4.32Å; L321-Q378 HydrophobicContact CD2-CB 4.28Å; L321-Q378 HydrophobicContact CD2-CG 3.83Å; F374-Q378 WeakPolarHBondContact O-CB 3.31Å; F374-Q378 PolarHBondContact O-N 3.23Å; N375-Q378 WeakPolarHBondContact O-CB 3.25Å; N375-Q378 PolarHBondContact O-N 3.44Å; T376-Q378 VanDerWaalsContact C-N 3.32Å; T376-Q378 PolarHBondContact O-N 2.75Å; Q378-V381 PolarHBondContact O-N 2.84Å; Q378-K382 WeakPolarHBondContact O-CB 3.36Å; Q378-K382 PolarHBondContact O-N 3.17Å; Q378-L419 HydrophobicContact CB-CD2 3.89Å; Q378-L419 HydrophobicContact CG-CD2 4.27Å
379K86.4Confident85Confident29 Ų2933.6 Ų33.613%0.12618%0.18CC..Hα-helixtrans-64.7-47175.9-73.9165.6155.8-155.10112.3L316 D317 L319 L321 N375 T376 K377 V381 K382 L383L316-K379 HydrophobicContact CD2-CB 4.23Å; L316-K379 WeakPolarHBondContact O-CD 3.47Å; L316-K379 VanDerWaalsContact O-CE 3.23Å; L316-K379 WeakPolarHBondContact O-CE 3.49Å; L316-K379 PolarHBondContact O-NZ 3.25Å; D317-K379 PolarHBondContact O-NZ 3.08Å; L319-K379 HydrophobicContact CB-CG 4.39Å; L319-K379 WeakPolarHBondContact O-CE 3.42Å; L321-K379 HydrophobicContact CD1-CG 4.12Å; L321-K379 HydrophobicContact CD2-CG 3.77Å; L321-K379 HydrophobicContact CG-CG 3.98Å; N375-K379 WeakPolarHBondContact O-CG 3.2Å; N375-K379 PolarHBondContact O-N 2.97Å; N375-K379 WeakPolarHBondContact OD1-CD 3.41Å; N375-K379 WeakPolarHBondContact OD1-CE 3.38Å; T376-K379 PolarHBondContact O-N 3.21Å; K377-K379 PolarHBondContact O-N 3.31Å; K379-V381 VanDerWaalsContact C-N 3.33Å; K379-V381 PolarHBondContact O-N 3.15Å; K379-K382 PolarHBondContact O-N 2.98Å; K379-L383 PolarHBondContact O-N 2.9Å
380V88.5Confident85.3Confident1 Ų131.2 Ų31.21%0.00617%0.17CC..Hα-helixtrans-58.8-47.2175.7170.10000110.5L316 L353 Y357 T376 K377 K382 L383 I384L316-V380 HydrophobicContact CD1-CG2 4.24Å; L316-V380 HydrophobicContact CD2-CG2 4Å; L353-V380 HydrophobicContact CD2-CG1 4.22Å; Y357-V380 HydrophobicContact CD2-CB 4.19Å; Y357-V380 HydrophobicContact CD2-CG1 3.85Å; T376-V380 WeakPolarHBondContact O-CG2 3.25Å; T376-V380 PolarHBondContact O-N 2.9Å; K377-V380 PolarHBondContact O-N 3.44Å; V380-K382 VanDerWaalsContact C-N 3.34Å; V380-K382 PolarHBondContact O-N 3.47Å; V380-L383 WeakPolarHBondContact O-CB 3.37Å; V380-L383 PolarHBondContact O-N 3.37Å; V380-I384 HydrophobicContact CG1-CD1 3.85Å; V380-I384 WeakPolarHBondContact O-CG1 3.47Å; V380-I384 PolarHBondContact O-N 2.99Å
381V86.4Confident85.5Confident7 Ų727.1 Ų27.14%0.04215%0.145CC..Hα-helixtrans-61.7-41.2177.2166.80000111.9Y357 K377 Q378 K379 I384 A385 V413 L423 W451Y357-V381 HydrophobicContact CE2-CG2 4.01Å; K377-V381 WeakPolarHBondContact O-CB 3.24Å; K377-V381 WeakPolarHBondContact O-CG2 3.38Å; K377-V381 PolarHBondContact O-N 3.26Å; Q378-V381 PolarHBondContact O-N 2.84Å; K379-V381 VanDerWaalsContact C-N 3.33Å; K379-V381 PolarHBondContact O-N 3.15Å; V381-I384 PolarHBondContact O-N 2.66Å; V381-A385 WeakPolarHBondContact O-CB 3.45Å; V381-A385 PolarHBondContact O-N 3.32Å; V381-V413 HydrophobicContact CG2-CG2 3.93Å; V381-L423 HydrophobicContact CG1-CD1 3.34Å; V381-L423 HydrophobicContact CG1-CD2 3.48Å; V381-L423 VanDerWaalsContact CG1-CD2 3.48Å; V381-L423 HydrophobicContact CG1-CG 3.48Å; V381-L423 VanDerWaalsContact CG1-CG 3.48Å; V381-W451 HydrophobicContact CG1-CH2 4.45Å
382K85Confident85.6Confident35 Ų3525 Ų2515%0.15213%0.128CC..Hα-helixtrans-63.7-43.3176.7-174.1172.1-176.8171.20111.8K320 L321 Q378 K379 V380 A385 Q386K320-K382 PolarHBondContact O-NZ 2.88Å; L321-K382 HydrophobicContact CD2-CD 4.18Å; Q378-K382 WeakPolarHBondContact O-CB 3.36Å; Q378-K382 PolarHBondContact O-N 3.17Å; K379-K382 PolarHBondContact O-N 2.98Å; V380-K382 VanDerWaalsContact C-N 3.34Å; V380-K382 PolarHBondContact O-N 3.47Å; K382-A385 PolarHBondContact O-N 2.92Å; K382-Q386 WeakPolarHBondContact O-CG 3.47Å; K382-Q386 PolarHBondContact O-N 2.89Å
383L88.8Confident85.6Confident3 Ų322.5 Ų22.52%0.01612%0.121CC..Hα-helixtrans-59.8-46.817517866.3000111.1L312 L316 L319 V333 L337 L353 K379 V380 A385 Q386 W387L312-L383 HydrophobicContact CD1-CD2 3.6Å; L316-L383 HydrophobicContact CD2-CB 4.16Å; L316-L383 HydrophobicContact CD2-CD2 3.8Å; L316-L383 HydrophobicContact CG-CD2 4.25Å; L319-L383 HydrophobicContact CD1-CB 4.12Å; V333-L383 HydrophobicContact CG1-CD1 3.29Å; L337-L383 HydrophobicContact CD1-CD1 4.27Å; L337-L383 HydrophobicContact CD2-CD1 4.11Å; L337-L383 HydrophobicContact CG-CD1 4.3Å; L353-L383 HydrophobicContact CD2-CD2 3.85Å; K379-L383 PolarHBondContact O-N 2.9Å; V380-L383 WeakPolarHBondContact O-CB 3.37Å; V380-L383 PolarHBondContact O-N 3.37Å; L383-A385 PolarHBondContact O-N 3.42Å; L383-Q386 WeakPolarHBondContact O-CB 3.49Å; L383-Q386 PolarHBondContact O-N 2.93Å; L383-Q386 VanDerWaalsContact O-N 3.13Å; L383-W387 PolarHBondContact O-N 2.84Å
384I88.9Confident85.5Confident0 Ų022.8 Ų22.80%012%0.123CC..Hα-helixtrans-63.9-41.6178.4-68.5170.9000111.1L353 V380 V381 Q386 W387 V388 F404 L405 L409 W451L353-I384 HydrophobicContact CD1-CD1 4.19Å; L353-I384 HydrophobicContact CD1-CG1 4.02Å; V380-I384 HydrophobicContact CG1-CD1 3.85Å; V380-I384 WeakPolarHBondContact O-CG1 3.47Å; V380-I384 PolarHBondContact O-N 2.99Å; V381-I384 PolarHBondContact O-N 2.66Å; I384-Q386 PolarHBondContact O-N 2.86Å; I384-W387 WeakPolarHBondContact O-CB 3.14Å; I384-W387 PolarHBondContact O-N 3.38Å; I384-W387 VanDerWaalsContact O-N 3.12Å; I384-V388 HydrophobicContact CG2-CG2 4.32Å; I384-V388 WeakPolarHBondContact O-CG2 3.43Å; I384-V388 PolarHBondContact O-N 3.17Å; I384-F404 HydrophobicContact CD1-CE1 4Å; I384-F404 HydrophobicContact CD1-CZ 4.22Å; I384-L405 HydrophobicContact CG2-CD2 3.56Å; I384-L409 HydrophobicContact CD1-CD2 3.28Å; I384-L409 HydrophobicContact CG2-CD2 4.4Å; I384-W451 HydrophobicContact CG2-CE3 4.32Å; I384-W451 HydrophobicContact CG2-CH2 4.36Å; I384-W451 HydrophobicContact CG2-CZ3 4.07Å
385A84.1Confident85.5Confident1 Ų120.9 Ų20.91%0.00812%0.115CC..Hα-helixtrans-63.5-28.7175.400000113V381 K382 L383 A389 L423 R430V381-A385 WeakPolarHBondContact O-CB 3.45Å; V381-A385 PolarHBondContact O-N 3.32Å; K382-A385 PolarHBondContact O-N 2.92Å; L383-A385 PolarHBondContact O-N 3.42Å; A385-A389 WeakPolarHBondContact O-CB 3.2Å; A385-A389 PolarHBondContact O-N 3.1Å; A385-L423 HydrophobicContact CB-CD2 4.12Å; A385-R430 PolarHBondContact O-NH1 2.53Å
386Q85.9Confident85.3Confident12 Ų1224.3 Ų24.36%0.05613%0.126CC..Hα-helixtrans-76.4-39171.2-70.8177.2-7.400111.8I329 L337 K382 L383 I384 A389 L390I329-Q386 HydrophobicContact CG1-CG 4.43Å; I329-Q386 HydrophobicContact CG2-CG 4.41Å; L337-Q386 HydrophobicContact CD1-CB 3.87Å; K382-Q386 WeakPolarHBondContact O-CG 3.47Å; K382-Q386 PolarHBondContact O-N 2.89Å; L383-Q386 WeakPolarHBondContact O-CB 3.49Å; L383-Q386 PolarHBondContact O-N 2.93Å; L383-Q386 VanDerWaalsContact O-N 3.13Å; I384-Q386 PolarHBondContact O-N 2.86Å; Q386-A389 PolarHBondContact O-N 2.99Å; Q386-L390 WeakPolarHBondContact O-CB 3.3Å; Q386-L390 PolarHBondContact O-N 2.88Å
387W89.3Confident84.9Confident2 Ų227.3 Ų27.31%0.00814%0.139CC..Hα-helixtrans-61-47.3175.2-172.236.9000112.1L337 H340 L349 L383 I384 A389 L390 Y391 L395 V401L337-W387 HydrophobicContact CD1-CB 4.21Å; L337-W387 HydrophobicContact CD2-CB 3.78Å; L337-W387 HydrophobicContact CD2-CG 3.89Å; H340-W387 AromaticContact NE2-CE2 3.9Å; H340-W387 AromaticContact NE2-NE1 3.27Å; H340-W387 PolarHBondContact NE2-NE1 3.38Å; L349-W387 HydrophobicContact CD2-CH2 4.33Å; L349-W387 HydrophobicContact CD2-CZ2 4.1Å; L383-W387 PolarHBondContact O-N 2.84Å; I384-W387 WeakPolarHBondContact O-CB 3.14Å; I384-W387 PolarHBondContact O-N 3.38Å; I384-W387 VanDerWaalsContact O-N 3.12Å; W387-A389 PolarHBondContact O-N 2.84Å; W387-L390 PolarHBondContact O-N 3.01Å; W387-Y391 AromaticContact CD1-CD2 3.42Å; W387-Y391 VanDerWaalsContact CD1-CD2 3.42Å; W387-Y391 AromaticContact CD1-CE2 3.56Å; W387-Y391 AromaticContact NE1-CD2 3.55Å; W387-Y391 AromaticContact NE1-CE2 3.45Å; W387-Y391 PolarHBondContact O-N 3.29Å; W387-L395 HydrophobicContact CD2-CD1 3.65Å; W387-L395 HydrophobicContact CD2-CD2 4.3Å; W387-L395 HydrophobicContact CE3-CD1 4.15Å; W387-L395 HydrophobicContact CG-CD1 3.85Å; W387-L395 HydrophobicContact CH2-CD2 4.2Å; W387-L395 HydrophobicContact CZ2-CD1 4.33Å; W387-L395 HydrophobicContact CZ2-CD2 3.47Å; W387-L395 VanDerWaalsContact CZ2-CD2 3.47Å; W387-V401 HydrophobicContact CH2-CB 4.16Å; W387-V401 HydrophobicContact CH2-CG1 3.5Å; W387-V401 VanDerWaalsContact CH2-CG1 3.5Å; W387-V401 HydrophobicContact CH2-CG2 3.54Å; W387-V401 HydrophobicContact CZ2-CG1 4.26Å; W387-V401 HydrophobicContact CZ2-CG2 4Å; W387-V401 HydrophobicContact CZ3-CG1 3.67Å; W387-V401 HydrophobicContact CZ3-CG2 4.5Å
388V86.6Confident84.8Confident1 Ų126.3 Ų26.31%0.00614%0.136CC..Hα-helixtrans-63.6-39.6176.1175.60000111.8I384 L390 G392 L395 L405 W451 F452I384-V388 HydrophobicContact CG2-CG2 4.32Å; I384-V388 WeakPolarHBondContact O-CG2 3.43Å; I384-V388 PolarHBondContact O-N 3.17Å; V388-L390 VanDerWaalsContact C-N 3.31Å; V388-L390 PolarHBondContact O-N 2.79Å; V388-G392 VanDerWaalsContact O-CA 3.23Å; V388-G392 WeakPolarHBondContact O-CA 3.38Å; V388-G392 PolarHBondContact O-N 3.14Å; V388-L395 HydrophobicContact CG2-CD1 4.3Å; V388-L405 HydrophobicContact CG2-CD1 3.97Å; V388-W451 WeakPolarHBondContact CG1-O 3.17Å; V388-F452 HydrophobicContact CG1-CD1 3.99Å; V388-F452 HydrophobicContact CG1-CE1 4.04Å
389A82.7Confident84.6Confident48 Ų4829.3 Ų29.340%0.39716%0.159SC..Hα-helixtrans-69.2-29.1176.200000113.8A385 Q386 W387A385-A389 WeakPolarHBondContact O-CB 3.2Å; A385-A389 PolarHBondContact O-N 3.1Å; Q386-A389 PolarHBondContact O-N 2.99Å; W387-A389 PolarHBondContact O-N 2.84Å
390L86.6Confident84.5Confident14 Ų1432.8 Ų32.87%0.07318%0.176CC..Hα-helixtrans-74.6-48.8179.1-171.5148.4000111.7L337 L338 Q386 W387 V388 H592 E593 V594L337-L390 HydrophobicContact CB-CD1 4.09Å; L338-L390 HydrophobicContact CD2-CD1 3.84Å; L338-L390 HydrophobicContact CD2-CD2 4.01Å; L338-L390 HydrophobicContact CD2-CG 4.36Å; L338-L390 HydrophobicContact CG-CD1 3.89Å; Q386-L390 WeakPolarHBondContact O-CB 3.3Å; Q386-L390 PolarHBondContact O-N 2.88Å; W387-L390 PolarHBondContact O-N 3.01Å; V388-L390 VanDerWaalsContact C-N 3.31Å; V388-L390 PolarHBondContact O-N 2.79Å; L390-H592 PolarHBondContact O-CE1 3.45Å; L390-H592 PolarHBondContact O-NE2 2.88Å; L390-E593 WeakPolarHBondContact CG-OE1 3.25Å; L390-V594 HydrophobicContact CD2-CG1 3.84Å
391Y85.9Confident84.4Confident5 Ų532.7 Ų32.72%0.0218%0.175CC..Hα-helixtrans-91.4-23.1-175-81.4-98.9000113.9L337 W387 L393 L394 L395 V594 Y598L337-Y391 WeakPolarHBondContact O-CE2 3.33Å; L337-Y391 PolarHBondContact O-OH 3.31Å; W387-Y391 AromaticContact CD1-CD2 3.42Å; W387-Y391 VanDerWaalsContact CD1-CD2 3.42Å; W387-Y391 AromaticContact CD1-CE2 3.56Å; W387-Y391 AromaticContact NE1-CD2 3.55Å; W387-Y391 AromaticContact NE1-CE2 3.45Å; W387-Y391 PolarHBondContact O-N 3.29Å; Y391-L393 PolarHBondContact O-N 2.81Å; Y391-L394 HydrophobicContact CD1-CB 4.32Å; Y391-L394 WeakPolarHBondContact O-CB 3.43Å; Y391-L394 PolarHBondContact O-N 2.85Å; Y391-L395 VanDerWaalsContact CB-CG 3.44Å; Y391-L395 HydrophobicContact CD1-CD2 4.13Å; Y391-L395 HydrophobicContact CD1-CG 4.35Å; Y391-L395 HydrophobicContact CD2-CD1 4.4Å; Y391-L395 HydrophobicContact CD2-CD2 4.39Å; Y391-L395 HydrophobicContact CD2-CG 4.45Å; Y391-L395 HydrophobicContact CG-CD1 4.22Å; Y391-L395 HydrophobicContact CG-CD2 3.98Å; Y391-L395 HydrophobicContact CG-CG 3.87Å; Y391-V594 HydrophobicContact CD1-CG1 4.38Å; Y391-V594 HydrophobicContact CD1-CG2 4.44Å; Y391-V594 HydrophobicContact CE1-CB 4.28Å; Y391-V594 HydrophobicContact CE1-CG1 3.85Å; Y391-V594 HydrophobicContact CE1-CG2 4.09Å; Y391-V594 HydrophobicContact CE2-CG1 4.36Å; Y391-Y598 WeakPolarHBondContact CE1-OH 3.39Å
392G84.2Confident84.3Confident14 Ų1433.2 Ų33.214%0.14418%0.182CC..G310 helixtrans55.9-129.4-176.700000112.7V388 L394 L395 F452V388-G392 VanDerWaalsContact O-CA 3.23Å; V388-G392 WeakPolarHBondContact O-CA 3.38Å; V388-G392 PolarHBondContact O-N 3.14Å; G392-L394 PolarHBondContact O-N 3.45Å; G392-L395 PolarHBondContact O-N 3.16Å; G392-F452 WeakPolarHBondContact O-CE1 3.34Å
393L80.9Confident84.3Confident46 Ų4634 Ų3424%0.24119%0.188CC..G310 helixtrans-67.9-17.3-177.3-63.5174.5000113.7Y391 L395 K396 E397 C455 E457Y391-L393 PolarHBondContact O-N 2.81Å; L393-L395 PolarHBondContact O-N 2.72Å; L393-K396 HydrophobicContact CD2-CD 4.4Å; L393-K396 WeakPolarHBondContact O-CB 3.48Å; L393-K396 PolarHBondContact O-N 3.42Å; L393-E397 PolarHBondContact O-N 2.87Å; L393-C455 HydrophobicContact CD2-CB 4.37Å; L393-C455 HydrophobicContact CG-CB 4.43Å; L393-E457 HydrophobicContact CD1-CG 3.47Å; L393-E457 VanDerWaalsContact CD1-CG 3.47Å
394L82.3Confident84.3Confident55 Ų5534.3 Ų34.329%0.28819%0.189SC..G310 helixtrans-62-30.2176.3-68.2173.1000112.7Y391 G392 K396 H592 V594Y391-L394 HydrophobicContact CD1-CB 4.32Å; Y391-L394 WeakPolarHBondContact O-CB 3.43Å; Y391-L394 PolarHBondContact O-N 2.85Å; G392-L394 PolarHBondContact O-N 3.45Å; L394-K396 VanDerWaalsContact C-N 3.33Å; L394-H592 HydrophobicContact CD1-CB 3.83Å; L394-H592 VanDerWaalsContact CD1-CD2 3.41Å; L394-H592 WeakPolarHBondContact CD1-CD2 3.25Å; L394-V594 HydrophobicContact CD1-CG2 4.13Å
395L83.4Confident84.1Confident1 Ų134.3 Ų34.31%0.00519%0.189CC..G310 helixtrans-74.3-26.2174.3-71.3174000112.7W387 V388 Y391 G392 L393 E397 D398 V401 F452W387-L395 HydrophobicContact CD2-CD1 3.65Å; W387-L395 HydrophobicContact CD2-CD2 4.3Å; W387-L395 HydrophobicContact CE3-CD1 4.15Å; W387-L395 HydrophobicContact CG-CD1 3.85Å; W387-L395 HydrophobicContact CH2-CD2 4.2Å; W387-L395 HydrophobicContact CZ2-CD1 4.33Å; W387-L395 HydrophobicContact CZ2-CD2 3.47Å; W387-L395 VanDerWaalsContact CZ2-CD2 3.47Å; V388-L395 HydrophobicContact CG2-CD1 4.3Å; Y391-L395 VanDerWaalsContact CB-CG 3.44Å; Y391-L395 HydrophobicContact CD1-CD2 4.13Å; Y391-L395 HydrophobicContact CD1-CG 4.35Å; Y391-L395 HydrophobicContact CD2-CD1 4.4Å; Y391-L395 HydrophobicContact CD2-CD2 4.39Å; Y391-L395 HydrophobicContact CD2-CG 4.45Å; Y391-L395 HydrophobicContact CG-CD1 4.22Å; Y391-L395 HydrophobicContact CG-CD2 3.98Å; Y391-L395 HydrophobicContact CG-CG 3.87Å; G392-L395 PolarHBondContact O-N 3.16Å; L393-L395 PolarHBondContact O-N 2.72Å; L395-E397 PolarHBondContact O-N 2.82Å; L395-D398 PolarHBondContact O-N 2.86Å; L395-V401 HydrophobicContact CB-CG1 4.08Å; L395-V401 HydrophobicContact CD2-CG1 4.14Å; L395-V401 HydrophobicContact CD2-CG2 4.31Å; L395-V401 HydrophobicContact CG-CG1 4.45Å; L395-F452 HydrophobicContact CB-CE1 4.23Å; L395-F452 HydrophobicContact CB-CZ 4.42Å
396K78.2Confident84Confident136 Ų13637.4 Ų37.459%0.59120%0.204SC*.THydrogen-bonded Turntrans-69.6-28.3176.8-170.5177.1178.8177.60111.4L393 L394 D398 F452L393-K396 HydrophobicContact CD2-CD 4.4Å; L393-K396 WeakPolarHBondContact O-CB 3.48Å; L393-K396 PolarHBondContact O-N 3.42Å; L394-K396 VanDerWaalsContact C-N 3.33Å; K396-D398 VanDerWaalsContact C-N 3.31Å; K396-F452 HydrophobicContact CB-CD1 4.45Å; K396-F452 HydrophobicContact CB-CE1 4.04Å; K396-F452 HydrophobicContact CB-CE2 4.46Å; K396-F452 HydrophobicContact CB-CZ 4.04Å
397E77.2Confident83.6Confident78 Ų7842.6 Ų42.636%0.36423%0.228SC..SBendtrans-78.2-16176.1-64.2179.3-172.700112.9L393 L395 P399 K466L393-E397 PolarHBondContact O-N 2.87Å; L395-E397 PolarHBondContact O-N 2.82Å; E397-P399 WeakPolarHBondContact O-CD 3.4Å; E397-K466 VanDerWaalsContact OE1-CD 3.24Å; E397-K466 WeakPolarHBondContact OE1-CD 3.42Å
398D82.9Confident83.2Confident27 Ų2747.9 Ų47.914%0.14425%0.248CC..  trans-84.6109.7175.8-169.5-31.7000109.2K341 S346 L395 K396 E400 V401 G402K341-D398 IonicContact NZ-OD2 2.66Å; K341-D398 PolarHBondContact NZ-OD2 3.22Å; S346-D398 WeakPolarHBondContact CB-OD2 3.4Å; S346-D398 PolarHBondContact OG-OD2 3.36Å; L395-D398 PolarHBondContact O-N 2.86Å; K396-D398 VanDerWaalsContact C-N 3.31Å; D398-E400 VanDerWaalsContact C-N 3.3Å; D398-E400 PolarHBondContact O-N 2.84Å; D398-E400 PolarHBondContact OD1-N 2.89Å; D398-V401 HydrophobicContact CB-CB 4.1Å; D398-V401 HydrophobicContact CB-CG2 3.95Å; D398-V401 PolarHBondContact O-N 3.18Å; D398-G402 PolarHBondContact O-N 3.02Å
399P83.1Confident83Confident101 Ų10148 Ų4866%0.65625%0.248SC*.Hα-helixtrans-64.8-33.7-170.125.5-34000112.8E397 D403E397-P399 WeakPolarHBondContact O-CD 3.4Å; P399-D403 PolarHBondContact O-N 2.83Å
400E83.3Confident83Confident101 Ų10147.6 Ų47.647%0.47224%0.238SC..Hα-helixtrans-68.6-40.8179.1-60.5-170.7143.900111S347 D398 F404S347-E400 WeakPolarHBondContact CA-OE2 3.5Å; S347-E400 WeakPolarHBondContact CB-OE2 3.4Å; S347-E400 PolarHBondContact N-OE2 2.81Å; S347-E400 PolarHBondContact OG-OE2 3.05Å; D398-E400 VanDerWaalsContact C-N 3.3Å; D398-E400 PolarHBondContact O-N 2.84Å; D398-E400 PolarHBondContact OD1-N 2.89Å; E400-F404 WeakPolarHBondContact O-CB 3.42Å; E400-F404 PolarHBondContact O-N 3.16Å; E400-F404 VanDerWaalsContact O-N 3.17Å
401V86.7Confident82.7Confident0 Ų053.9 Ų53.90%026%0.264CS..Hα-helixtrans-71.9-40.8178.1-176.50000110.9W387 L395 D398 F404 L405W387-V401 HydrophobicContact CH2-CB 4.16Å; W387-V401 HydrophobicContact CH2-CG1 3.5Å; W387-V401 VanDerWaalsContact CH2-CG1 3.5Å; W387-V401 HydrophobicContact CH2-CG2 3.54Å; W387-V401 HydrophobicContact CZ2-CG1 4.26Å; W387-V401 HydrophobicContact CZ2-CG2 4Å; W387-V401 HydrophobicContact CZ3-CG1 3.67Å; W387-V401 HydrophobicContact CZ3-CG2 4.5Å; L395-V401 HydrophobicContact CB-CG1 4.08Å; L395-V401 HydrophobicContact CD2-CG1 4.14Å; L395-V401 HydrophobicContact CD2-CG2 4.31Å; L395-V401 HydrophobicContact CG-CG1 4.45Å; D398-V401 HydrophobicContact CB-CB 4.1Å; D398-V401 HydrophobicContact CB-CG2 3.95Å; D398-V401 PolarHBondContact O-N 3.18Å; V401-F404 PolarHBondContact O-N 3.27Å; V401-L405 HydrophobicContact CG1-CD1 3.65Å; V401-L405 HydrophobicContact CG1-CG 3.98Å; V401-L405 WeakPolarHBondContact O-CB 3.35Å; V401-L405 WeakPolarHBondContact O-CG 3.42Å; V401-L405 PolarHBondContact O-N 3Å
402G83.9Confident82.4Confident18 Ų1857.9 Ų57.919%0.18628%0.283CS..Hα-helixtrans-57.2-47.617500000112.3D398 E406D398-G402 PolarHBondContact O-N 3.02Å; G402-E406 WeakPolarHBondContact O-CB 3.33Å; G402-E406 PolarHBondContact O-N 2.87Å
403D85.4Confident82.4Confident51 Ų5157.2 Ų57.227%0.27328%0.276SS..Iπ-helixtrans-58.6-50.1175.4-174.468.3000111.7P399 L405 Q407 R408P399-D403 PolarHBondContact O-N 2.83Å; D403-L405 PolarHBondContact O-N 3.22Å; D403-Q407 WeakPolarHBondContact O-CA 3.49Å; D403-Q407 VanDerWaalsContact O-CB 3.23Å; D403-Q407 WeakPolarHBondContact O-CB 3.47Å; D403-Q407 PolarHBondContact O-N 3.14Å; D403-Q407 WeakPolarHBondContact OD1-CG 3.5Å; D403-Q407 PolarHBondContact OD1-NE2 3.32Å; D403-Q407 PolarHBondContact OD1-OE1 2.71Å; D403-Q407 VanDerWaalsContact OD1-OE1 3.08Å; D403-R408 IonicContact OD2-NE 3.76Å; D403-R408 PolarHBondContact OD2-NE 3.14Å; D403-R408 IonicContact OD2-NH2 3.38Å
404F88Confident82.3Confident10 Ų1057.8 Ų57.84%0.04429%0.288CS..Iπ-helixtrans-59.6-49.7-179.7171-107.3000112.7C350 L353 Q354 I384 E400 V401 R408 L409C350-F404 HydrophobicContact CB-CB 4.15Å; C350-F404 HydrophobicContact CB-CD1 4.14Å; C350-F404 HydrophobicContact CB-CD2 4.18Å; C350-F404 HydrophobicContact CB-CG 3.88Å; C350-F404 VanDerWaalsContact SG-CD1 3.6Å; L353-F404 HydrophobicContact CB-CZ 4.11Å; Q354-F404 HydrophobicContact CB-CE2 4.08Å; I384-F404 HydrophobicContact CD1-CE1 4Å; I384-F404 HydrophobicContact CD1-CZ 4.22Å; E400-F404 WeakPolarHBondContact O-CB 3.42Å; E400-F404 PolarHBondContact O-N 3.16Å; E400-F404 VanDerWaalsContact O-N 3.17Å; V401-F404 PolarHBondContact O-N 3.27Å; F404-R408 WeakPolarHBondContact O-CB 3.37Å; F404-R408 PolarHBondContact O-N 3.2Å; F404-L409 HydrophobicContact CE1-CD2 4.22Å; F404-L409 HydrophobicContact CZ-CB 4.5Å; F404-L409 HydrophobicContact CZ-CD2 4.19Å; F404-L409 PolarHBondContact O-N 3.13Å
405L86Confident82.2Confident0 Ų059.4 Ų59.40%031%0.309CS..Iπ-helixtrans-71.7-46.7-175.7-67.9-179.5000112.6I384 V388 V401 D403 L409 K410 W451 F452I384-L405 HydrophobicContact CG2-CD2 3.56Å; V388-L405 HydrophobicContact CG2-CD1 3.97Å; V401-L405 HydrophobicContact CG1-CD1 3.65Å; V401-L405 HydrophobicContact CG1-CG 3.98Å; V401-L405 WeakPolarHBondContact O-CB 3.35Å; V401-L405 WeakPolarHBondContact O-CG 3.42Å; V401-L405 PolarHBondContact O-N 3Å; D403-L405 PolarHBondContact O-N 3.22Å; L405-L409 HydrophobicContact CD2-CD2 4.33Å; L405-K410 WeakPolarHBondContact O-CB 3.19Å; L405-K410 PolarHBondContact O-N 3.28Å; L405-W451 PolarHBondContact O-NE1 3.18Å; L405-W451 VanDerWaalsContact O-NE1 3.11Å; L405-F452 HydrophobicContact CD1-CE2 4.41Å; L405-F452 HydrophobicContact CD1-CZ 3.96Å
406E81.8Confident82.1Confident66 Ų6661.4 Ų61.431%0.30832%0.32SS..Iπ-helixtrans-86.4-41.5-173.6-73.4-64.1137.600113.4G402 K410G402-E406 WeakPolarHBondContact O-CB 3.33Å; G402-E406 PolarHBondContact O-N 2.87Å; E406-K410 IonicContact OE1-NZ 3.81Å; E406-K410 WeakPolarHBondContact OE2-CD 3.45Å; E406-K410 IonicContact OE2-NZ 3.67Å; E406-K410 PolarHBondContact OE2-NZ 3.17Å
407Q78.3Confident82.2Confident120 Ų12064 Ų6456%0.56133%0.327SS*.Iπ-helixtrans-87.4-32.3-173-56-163.823.500113.4D403 K411D403-Q407 WeakPolarHBondContact O-CA 3.49Å; D403-Q407 VanDerWaalsContact O-CB 3.23Å; D403-Q407 WeakPolarHBondContact O-CB 3.47Å; D403-Q407 PolarHBondContact O-N 3.14Å; D403-Q407 WeakPolarHBondContact OD1-CG 3.5Å; D403-Q407 PolarHBondContact OD1-NE2 3.32Å; D403-Q407 PolarHBondContact OD1-OE1 2.71Å; D403-Q407 VanDerWaalsContact OD1-OE1 3.08Å; Q407-K411 WeakPolarHBondContact O-CD 3.35Å; Q407-K411 WeakPolarHBondContact O-CE 3.44Å; Q407-K411 PolarHBondContact O-NZ 3.13Å
408R79.9Confident82.3Confident113 Ų11368.2 Ų68.243%0.42634%0.34SS..Iπ-helixtrans-105-71.6-174.3-54-178.6-175.4-143.4-8.6111.6D403 F404 K410 K411 E412D403-R408 IonicContact OD2-NE 3.76Å; D403-R408 PolarHBondContact OD2-NE 3.14Å; D403-R408 IonicContact OD2-NH2 3.38Å; F404-R408 WeakPolarHBondContact O-CB 3.37Å; F404-R408 PolarHBondContact O-N 3.2Å; R408-K410 PolarHBondContact O-N 3.5Å; R408-K411 PolarHBondContact O-N 3.3Å; R408-E412 PolarHBondContact O-N 3.5Å
409L82.7Confident82.1Confident3 Ų367 Ų672%0.01633%0.333CS..Iπ-helixtrans-67.7-36.8-167.4-170.569000113.1Y357 I384 F404 L405 K411 E412 V413 W451Y357-L409 HydrophobicContact CD1-CD1 4.28Å; Y357-L409 HydrophobicContact CD2-CD1 3.91Å; Y357-L409 HydrophobicContact CE1-CD1 4.15Å; Y357-L409 HydrophobicContact CE2-CD1 3.76Å; Y357-L409 HydrophobicContact CG-CD1 4.16Å; I384-L409 HydrophobicContact CD1-CD2 3.28Å; I384-L409 HydrophobicContact CG2-CD2 4.4Å; F404-L409 HydrophobicContact CE1-CD2 4.22Å; F404-L409 HydrophobicContact CZ-CB 4.5Å; F404-L409 HydrophobicContact CZ-CD2 4.19Å; F404-L409 PolarHBondContact O-N 3.13Å; L405-L409 HydrophobicContact CD2-CD2 4.33Å; L409-K411 VanDerWaalsContact C-N 3.27Å; L409-K411 PolarHBondContact O-N 2.89Å; L409-E412 PolarHBondContact O-N 2.82Å; L409-V413 HydrophobicContact CD1-CG2 4.11Å; L409-V413 HydrophobicContact CG-CG2 3.93Å; L409-V413 WeakPolarHBondContact O-CB 3.45Å; L409-V413 WeakPolarHBondContact O-CG2 3.33Å; L409-V413 PolarHBondContact O-N 3.17Å; L409-W451 HydrophobicContact CD2-CH2 4.09Å; L409-W451 HydrophobicContact CD2-CZ2 3.75Å; L409-W451 HydrophobicContact CG-CZ2 4.03Å
410K82.6Confident81.8Confident41 Ų4162.6 Ų62.618%0.17831%0.305CS..Hα-helixtrans-56.1-39.4177.3176.9168.2177.8167.30112.9L405 E406 R408 A414 F449L405-K410 WeakPolarHBondContact O-CB 3.19Å; L405-K410 PolarHBondContact O-N 3.28Å; E406-K410 IonicContact OE1-NZ 3.81Å; E406-K410 WeakPolarHBondContact OE2-CD 3.45Å; E406-K410 IonicContact OE2-NZ 3.67Å; E406-K410 PolarHBondContact OE2-NZ 3.17Å; R408-K410 PolarHBondContact O-N 3.5Å; K410-A414 WeakPolarHBondContact O-CB 3.39Å; K410-A414 PolarHBondContact O-N 3.19Å; K410-F449 WeakPolarHBondContact CE-O 3.43Å; K410-F449 HydrophobicContact CG-CD1 4.09Å; K410-F449 HydrophobicContact CG-CE1 4.36Å; K410-F449 PolarHBondContact NZ-O 3.04Å
411K79.8Confident81.5Confident146 Ų14660.3 Ų60.364%0.63530%0.3SS*.Hα-helixtrans-68.6-43.8177.7-67.1177.7-174158.40111.2Q407 R408 L409 A414 A415Q407-K411 WeakPolarHBondContact O-CD 3.35Å; Q407-K411 WeakPolarHBondContact O-CE 3.44Å; Q407-K411 PolarHBondContact O-NZ 3.13Å; R408-K411 PolarHBondContact O-N 3.3Å; L409-K411 VanDerWaalsContact C-N 3.27Å; L409-K411 PolarHBondContact O-N 2.89Å; K411-A414 PolarHBondContact O-N 3.48Å; K411-A415 PolarHBondContact O-N 2.78Å
412E80.4Confident80.9Confident88 Ų8862.7 Ų62.741%0.41131%0.312SS..Hα-helixtrans-67.5-41.1-179.5-63.9-176.6170.400112.5Y357 R408 L409 A415 D416Y357-E412 WeakPolarHBondContact CD1-OE2 3.44Å; Y357-E412 HydrophobicContact CE1-CB 3.89Å; Y357-E412 WeakPolarHBondContact CE1-OE2 3.42Å; R408-E412 PolarHBondContact O-N 3.5Å; L409-E412 PolarHBondContact O-N 2.82Å; E412-A415 PolarHBondContact O-N 2.77Å; E412-D416 PolarHBondContact O-N 3.26Å
413V83Confident80.3Confident0 Ų062 Ų620%030%0.304CS..Hα-helixtrans-70.7-36175.7172.70000111.3Y357 V381 L409 A415 D416 L419 L423 F449 W451Y357-V413 WeakPolarHBondContact OH-CG2 3.13Å; V381-V413 HydrophobicContact CG2-CG2 3.93Å; L409-V413 HydrophobicContact CD1-CG2 4.11Å; L409-V413 HydrophobicContact CG-CG2 3.93Å; L409-V413 WeakPolarHBondContact O-CB 3.45Å; L409-V413 WeakPolarHBondContact O-CG2 3.33Å; L409-V413 PolarHBondContact O-N 3.17Å; V413-A415 VanDerWaalsContact C-N 3.27Å; V413-A415 PolarHBondContact O-N 3.44Å; V413-D416 PolarHBondContact O-N 3.22Å; V413-D416 VanDerWaalsContact O-O 3.06Å; V413-L419 HydrophobicContact CG1-CB 4.42Å; V413-L423 HydrophobicContact CG1-CD1 3.46Å; V413-L423 VanDerWaalsContact CG1-CD1 3.46Å; V413-F449 HydrophobicContact CG1-CE1 4.42Å; V413-F449 HydrophobicContact CG1-CZ 4.34Å; V413-W451 HydrophobicContact CG2-CH2 4.25Å; V413-W451 HydrophobicContact CG2-CZ2 4.15Å
414A79.9Confident79.7Confident59 Ų5964.8 Ų64.849%0.48831%0.314SS..Hα-helixtrans-68-27.8175.200000112.8K410 K411 D416K410-A414 WeakPolarHBondContact O-CB 3.39Å; K410-A414 PolarHBondContact O-N 3.19Å; K411-A414 PolarHBondContact O-N 3.48Å; A414-D416 VanDerWaalsContact C-N 3.33Å
415A80.2Confident78.9Confident88 Ų8870.5 Ų70.573%0.72734%0.341SS*.Hα-helixtrans-71-27.1174.100000112.8K411 E412 V413K411-A415 PolarHBondContact O-N 2.78Å; E412-A415 PolarHBondContact O-N 2.77Å; V413-A415 VanDerWaalsContact C-N 3.27Å; V413-A415 PolarHBondContact O-N 3.44Å
416D81.9Confident78.1Confident44 Ų4472.6 Ų72.624%0.23535%0.351CS..  trans-96.3101.6176.3-169-33.3000111.5E412 V413 A414 R418 L419 S420E412-D416 PolarHBondContact O-N 3.26Å; V413-D416 PolarHBondContact O-N 3.22Å; V413-D416 VanDerWaalsContact O-O 3.06Å; A414-D416 VanDerWaalsContact C-N 3.33Å; D416-R418 VanDerWaalsContact C-N 3.27Å; D416-R418 PolarHBondContact O-N 3.38Å; D416-R418 PolarHBondContact OD1-N 2.64Å; D416-L419 HydrophobicContact CB-CB 4.21Å; D416-L419 HydrophobicContact CB-CD1 3.96Å; D416-L419 HydrophobicContact CB-CG 4.21Å; D416-L419 PolarHBondContact O-N 3.22Å; D416-L419 PolarHBondContact OD1-N 3.02Å; D416-S420 WeakPolarHBondContact O-CB 3.35Å; D416-S420 PolarHBondContact O-N 3.26Å
417Y78.4Confident77.4Confident191 Ų19169.7 Ų69.775%0.74934%0.337SS*.Hα-helixtrans-56.5-37.2-178.5177.1-97.5000113.4S421Y417-S421 WeakPolarHBondContact O-CB 3.42Å; Y417-S421 PolarHBondContact O-N 2.89Å
418R80.1Confident76.8Confident165 Ų16570 Ų7062%0.62333%0.333SS*.Hα-helixtrans-68.7-45.4-176.2-62178.795.6173.66.1110.2F374 D416 S421 I422F374-R418 HydrophobicContact CE2-CB 3.55Å; F374-R418 HydrophobicContact CE2-CG 4.45Å; F374-R418 HydrophobicContact CZ-CB 3.82Å; D416-R418 VanDerWaalsContact C-N 3.27Å; D416-R418 PolarHBondContact O-N 3.38Å; D416-R418 PolarHBondContact OD1-N 2.64Å; R418-S421 PolarHBondContact O-N 2.88Å; R418-I422 WeakPolarHBondContact O-CD1 3.41Å; R418-I422 VanDerWaalsContact O-CG1 3.32Å; R418-I422 WeakPolarHBondContact O-CG1 3.29Å; R418-I422 PolarHBondContact O-N 3.17Å
419L79.2Confident75.8Confident2 Ų267.5 Ų67.51%0.0133%0.326CS..Hα-helixtrans-65.6-44.4176.3-66.1176000111.9F374 K377 Q378 V413 D416 S421 I422 L423F374-L419 HydrophobicContact CD2-CD2 4.42Å; F374-L419 HydrophobicContact CE2-CD2 3.79Å; F374-L419 HydrophobicContact CE2-CG 3.93Å; F374-L419 HydrophobicContact CZ-CD2 4.17Å; K377-L419 HydrophobicContact CB-CD1 3.8Å; K377-L419 HydrophobicContact CD-CD1 4.37Å; Q378-L419 HydrophobicContact CB-CD2 3.89Å; Q378-L419 HydrophobicContact CG-CD2 4.27Å; V413-L419 HydrophobicContact CG1-CB 4.42Å; D416-L419 HydrophobicContact CB-CB 4.21Å; D416-L419 HydrophobicContact CB-CD1 3.96Å; D416-L419 HydrophobicContact CB-CG 4.21Å; D416-L419 PolarHBondContact O-N 3.22Å; D416-L419 PolarHBondContact OD1-N 3.02Å; L419-S421 VanDerWaalsContact C-N 3.29Å; L419-S421 PolarHBondContact O-N 3.49Å; L419-I422 PolarHBondContact O-N 2.81Å; L419-L423 PolarHBondContact O-N 3.01Å
420S76.7Confident74.9Confident9 Ų969.8 Ų69.86%0.06334%0.335CS..Hα-helixtrans-59.9-39.6177.7-169.60000112.3D416 K424D416-S420 WeakPolarHBondContact O-CB 3.35Å; D416-S420 PolarHBondContact O-N 3.26Å; S420-K424 WeakPolarHBondContact O-CB 3.46Å; S420-K424 VanDerWaalsContact O-CG 3.26Å; S420-K424 WeakPolarHBondContact O-CG 3.4Å; S420-K424 PolarHBondContact O-N 2.97Å
421S75.9Confident73.8Confident53 Ų5371.8 Ų71.837%0.37134%0.341SS..Hα-helixtrans-65-48.3177.6-169.80000112.1Y417 R418 L419 L423 K424 E425Y417-S421 WeakPolarHBondContact O-CB 3.42Å; Y417-S421 PolarHBondContact O-N 2.89Å; R418-S421 PolarHBondContact O-N 2.88Å; L419-S421 VanDerWaalsContact C-N 3.29Å; L419-S421 PolarHBondContact O-N 3.49Å; S421-L423 VanDerWaalsContact C-N 3.32Å; S421-L423 PolarHBondContact O-N 2.93Å; S421-K424 PolarHBondContact O-N 3.43Å; S421-E425 PolarHBondContact O-N 3Å
422I74.5Confident72.7Confident50 Ų5071.7 Ų71.726%0.25634%0.337SS..Hα-helixtrans-59.4-44.4179.1-67.9164.4000110.7F374 R418 L419 E425 Q426F374-I422 HydrophobicContact CZ-CD1 4.13Å; R418-I422 WeakPolarHBondContact O-CD1 3.41Å; R418-I422 VanDerWaalsContact O-CG1 3.32Å; R418-I422 WeakPolarHBondContact O-CG1 3.29Å; R418-I422 PolarHBondContact O-N 3.17Å; L419-I422 PolarHBondContact O-N 2.81Å; I422-E425 PolarHBondContact O-N 3.39Å; I422-Q426 WeakPolarHBondContact O-CG 3.26Å; I422-Q426 PolarHBondContact O-N 3.33Å
423L72.4Confident71.4Confident3 Ų370.7 Ų70.72%0.01634%0.337CS..Hα-helixtrans-65.3-43.2178.7-83.1167.4000113V381 A385 V413 L419 S421 E425 Q426 F427 F449 W451V381-L423 HydrophobicContact CG1-CD1 3.34Å; V381-L423 HydrophobicContact CG1-CD2 3.48Å; V381-L423 VanDerWaalsContact CG1-CD2 3.48Å; V381-L423 HydrophobicContact CG1-CG 3.48Å; V381-L423 VanDerWaalsContact CG1-CG 3.48Å; A385-L423 HydrophobicContact CB-CD2 4.12Å; V413-L423 HydrophobicContact CG1-CD1 3.46Å; V413-L423 VanDerWaalsContact CG1-CD1 3.46Å; L419-L423 PolarHBondContact O-N 3.01Å; S421-L423 VanDerWaalsContact C-N 3.32Å; S421-L423 PolarHBondContact O-N 2.93Å; L423-E425 PolarHBondContact O-N 3.47Å; L423-Q426 PolarHBondContact O-N 2.81Å; L423-F427 HydrophobicContact CB-CD2 4.48Å; L423-F427 HydrophobicContact CB-CE2 4.4Å; L423-F427 HydrophobicContact CD2-CE2 4.02Å; L423-F427 HydrophobicContact CD2-CZ 4.4Å; L423-F427 WeakPolarHBondContact O-CD2 3.18Å; L423-F427 WeakPolarHBondContact O-CG 3.41Å; L423-F427 PolarHBondContact O-N 3.24Å; L423-F449 HydrophobicContact CB-CE2 3.91Å; L423-F449 HydrophobicContact CD1-CE2 3.78Å; L423-F449 HydrophobicContact CD1-CZ 3.77Å; L423-F449 HydrophobicContact CG-CE2 4.4Å; L423-W451 HydrophobicContact CD1-CH2 3.92Å; L423-W451 HydrophobicContact CD1-CZ3 4.04Å; L423-W451 HydrophobicContact CD2-CZ3 4.07Å
424K72.2Confident69.9Low110 Ų11075 Ų7548%0.47836%0.356SS..Hα-helixtrans-60.1-39.3176.3-77.4172-177.3172.90111.3S420 S421 R428S420-K424 WeakPolarHBondContact O-CB 3.46Å; S420-K424 VanDerWaalsContact O-CG 3.26Å; S420-K424 WeakPolarHBondContact O-CG 3.4Å; S420-K424 PolarHBondContact O-N 2.97Å; S421-K424 PolarHBondContact O-N 3.43Å; K424-R428 WeakPolarHBondContact O-CB 3.29Å; K424-R428 PolarHBondContact O-N 3.43Å
425E71Confident68.6Low129 Ų12975.2 Ų75.260%0.60335%0.35SS*.Hα-helixtrans-65.5-48.6175.6-171.1163.2-153.300111.7S421 I422 L423 F427 R428 E429S421-E425 PolarHBondContact O-N 3Å; I422-E425 PolarHBondContact O-N 3.39Å; L423-E425 PolarHBondContact O-N 3.47Å; E425-F427 PolarHBondContact O-N 3.11Å; E425-R428 WeakPolarHBondContact O-CB 3.44Å; E425-R428 PolarHBondContact O-N 2.95Å; E425-R428 VanDerWaalsContact O-N 3.11Å; E425-E429 WeakPolarHBondContact O-CB 3.49Å; E425-E429 PolarHBondContact O-N 3.17Å
426Q68.6Low66.8Low45 Ų4579.3 Ų79.321%0.2136%0.357CS..Hα-helixtrans-60.1-44.4176.7-72.9-1611.800113.1I422 L423 R428 E429 R430I422-Q426 WeakPolarHBondContact O-CG 3.26Å; I422-Q426 PolarHBondContact O-N 3.33Å; L423-Q426 PolarHBondContact O-N 2.81Å; Q426-R428 VanDerWaalsContact C-N 3.29Å; Q426-R428 PolarHBondContact O-N 2.95Å; Q426-E429 PolarHBondContact O-N 3.46Å; Q426-R430 WeakPolarHBondContact O-CB 3.13Å; Q426-R430 WeakPolarHBondContact O-CG 3.35Å; Q426-R430 PolarHBondContact O-N 2.79Å
427F68.1Low65Low5 Ų583.4 Ų83.42%0.02237%0.374CS..Hα-helixtrans-68.8-28.4176.6-70.8-50000112.7L423 E425 R431 F449 W451 S454L423-F427 HydrophobicContact CB-CD2 4.48Å; L423-F427 HydrophobicContact CB-CE2 4.4Å; L423-F427 HydrophobicContact CD2-CE2 4.02Å; L423-F427 HydrophobicContact CD2-CZ 4.4Å; L423-F427 WeakPolarHBondContact O-CD2 3.18Å; L423-F427 WeakPolarHBondContact O-CG 3.41Å; L423-F427 PolarHBondContact O-N 3.24Å; E425-F427 PolarHBondContact O-N 3.11Å; F427-R431 WeakPolarHBondContact O-CB 3.41Å; F427-R431 WeakPolarHBondContact O-CG 3.36Å; F427-R431 PolarHBondContact O-N 3.29Å; F427-R431 PolarHBondContact O-NE 3.39Å; F427-R431 VanDerWaalsContact O-NE 3.09Å; F427-F449 HydrophobicContact CD2-CE2 4.35Å; F427-F449 AromaticContact CE2-CE2 3.88Å; F427-F449 HydrophobicContact CE2-CE2 3.88Å; F427-F449 HydrophobicContact CE2-CZ 4.45Å; F427-W451 HydrophobicContact CE2-CE3 4.39Å; F427-W451 HydrophobicContact CZ-CE3 4.16Å; F427-S454 WeakPolarHBondContact CD1-OG 3.4Å
428R64.6Low63.2Low125 Ų12579.6 Ų79.647%0.47237%0.367SS..Hα-helixtrans-73.3-40.8174.1-174.3-178.7-174-169.92.4111.4K424 E425 Q426 R431 R432K424-R428 WeakPolarHBondContact O-CB 3.29Å; K424-R428 PolarHBondContact O-N 3.43Å; E425-R428 WeakPolarHBondContact O-CB 3.44Å; E425-R428 PolarHBondContact O-N 2.95Å; E425-R428 VanDerWaalsContact O-N 3.11Å; Q426-R428 VanDerWaalsContact C-N 3.29Å; Q426-R428 PolarHBondContact O-N 2.95Å; R428-R431 PolarHBondContact O-N 3.22Å; R428-R432 WeakPolarHBondContact O-CG 3.38Å; R428-R432 PolarHBondContact O-N 3.09Å
429E60.4Low61.3Low61 Ų6173.9 Ų73.929%0.28536%0.359SS..Hα-helixtrans-65.8-47.1177.6-164.9167.9-174.900111.1G325 E425 Q426 R431 R432 T433G325-E429 VanDerWaalsContact CA-CD 3.49Å; G325-E429 WeakPolarHBondContact CA-OE2 3.49Å; G325-E429 PolarHBondContact N-OE1 3.31Å; G325-E429 PolarHBondContact N-OE2 2.83Å; E425-E429 WeakPolarHBondContact O-CB 3.49Å; E425-E429 PolarHBondContact O-N 3.17Å; Q426-E429 PolarHBondContact O-N 3.46Å; E429-R431 VanDerWaalsContact C-N 3.26Å; E429-R431 PolarHBondContact O-N 3.42Å; E429-R432 WeakPolarHBondContact O-CA 3.44Å; E429-R432 WeakPolarHBondContact O-CB 3.43Å; E429-R432 PolarHBondContact O-N 2.99Å; E429-T433 PolarHBondContact O-N 3.48Å; E429-T433 PolarHBondContact O-OG1 3.38Å
430R62Low59.3Low51 Ų5184.4 Ų84.419%0.19240%0.4CS..Hα-helixtrans-55.1-40.8172.5-74.6179.9179.3179.60112.6A385 Q426 T433 K434A385-R430 PolarHBondContact O-NH1 2.53Å; Q426-R430 WeakPolarHBondContact O-CB 3.13Å; Q426-R430 WeakPolarHBondContact O-CG 3.35Å; Q426-R430 PolarHBondContact O-N 2.79Å; R430-T433 WeakPolarHBondContact CA-OG1 3.08Å; R430-T433 PolarHBondContact O-OG1 2.83Å; R430-T433 VanDerWaalsContact O-OG1 3.06Å; R430-K434 VanDerWaalsContact O-CG 3.31Å; R430-K434 WeakPolarHBondContact O-CG 3.37Å; R430-K434 PolarHBondContact O-N 3.3Å
431R59.8Low57.5Low84 Ų8490.4 Ų90.432%0.31743%0.427SS..Hα-helixtrans-64.1-39.7173.2-81.3-178.1-78.2-179-8.2112.2F427 R428 E429 K434 V435F427-R431 WeakPolarHBondContact O-CB 3.41Å; F427-R431 WeakPolarHBondContact O-CG 3.36Å; F427-R431 PolarHBondContact O-N 3.29Å; F427-R431 PolarHBondContact O-NE 3.39Å; F427-R431 VanDerWaalsContact O-NE 3.09Å; R428-R431 PolarHBondContact O-N 3.22Å; E429-R431 VanDerWaalsContact C-N 3.26Å; E429-R431 PolarHBondContact O-N 3.42Å; R431-K434 PolarHBondContact O-N 3.49Å; R431-V435 WeakPolarHBondContact O-CB 3.43Å; R431-V435 WeakPolarHBondContact O-CG2 3.19Å; R431-V435 PolarHBondContact O-N 3.45Å
432R57Low55.7Low144 Ų14493.7 Ų93.754%0.54345%0.45SS..Hα-helixtrans-65.2-45.9177.5-76.8177.1175.2161.7-5.3113.1R428 E429 K434 V435 M436R428-R432 WeakPolarHBondContact O-CG 3.38Å; R428-R432 PolarHBondContact O-N 3.09Å; E429-R432 WeakPolarHBondContact O-CA 3.44Å; E429-R432 WeakPolarHBondContact O-CB 3.43Å; E429-R432 PolarHBondContact O-N 2.99Å; R432-K434 VanDerWaalsContact C-N 3.27Å; R432-K434 PolarHBondContact O-N 2.95Å; R432-V435 PolarHBondContact O-N 2.98Å; R432-M436 PolarHBondContact O-N 2.96Å; R432-M436 VanDerWaalsContact O-N 3.12Å
433T54.2Low54.2Low67 Ų6797.5 Ų97.541%0.41147%0.471SS..Hα-helixtrans-57.4-41.6174.919.10000111.5E429 R430E429-T433 PolarHBondContact O-N 3.48Å; E429-T433 PolarHBondContact O-OG1 3.38Å; R430-T433 WeakPolarHBondContact CA-OG1 3.08Å; R430-T433 PolarHBondContact O-OG1 2.83Å; R430-T433 VanDerWaalsContact O-OG1 3.06Å
434K51.5Low52.7Low91 Ų91100.9 Ų100.940%0.39650%0.495SS..Hα-helixtrans-72.6-32.9177.9-68.3178.8-179.6-170.90113.8R430 R431 R432 E437 N438 S454R430-K434 VanDerWaalsContact O-CG 3.31Å; R430-K434 WeakPolarHBondContact O-CG 3.37Å; R430-K434 PolarHBondContact O-N 3.3Å; R431-K434 PolarHBondContact O-N 3.49Å; R432-K434 VanDerWaalsContact C-N 3.27Å; R432-K434 PolarHBondContact O-N 2.95Å; K434-E437 WeakPolarHBondContact O-CB 3.4Å; K434-E437 PolarHBondContact O-N 3.31Å; K434-N438 PolarHBondContact O-N 3.38Å; K434-N438 VanDerWaalsContact O-N 3.09Å; K434-S454 PolarHBondContact NZ-O 3.45Å
435V50.9Low51.3Low62 Ų62107.1 Ų107.138%0.37652%0.515SS..Hα-helixtrans-70.9-32177.1168.60000112.1R431 R432 E437 N438 G439R431-V435 WeakPolarHBondContact O-CB 3.43Å; R431-V435 WeakPolarHBondContact O-CG2 3.19Å; R431-V435 PolarHBondContact O-N 3.45Å; R432-V435 PolarHBondContact O-N 2.98Å; V435-E437 PolarHBondContact O-N 2.95Å; V435-N438 PolarHBondContact O-N 3.28Å; V435-G439 PolarHBondContact O-N 3.21Å
436M43.9Very low50.1Low175 Ų175108.5 Ų108.586%0.86253%0.526SS*.Hα-helixtrans-65.1-25.1170.6-78.517866.900112.5R432R432-M436 PolarHBondContact O-N 2.96Å; R432-M436 VanDerWaalsContact O-N 3.12Å
437E43.9Very low49.4Very low129 Ų129112.3 Ų112.360%0.60354%0.544SS*.Hα-helixtrans-84.3-35.9176-69.4178.1151.700113.3K434 V435K434-E437 WeakPolarHBondContact O-CB 3.4Å; K434-E437 PolarHBondContact O-N 3.31Å; V435-E437 PolarHBondContact O-N 2.95Å
438N40.5Very low48.9Very low112 Ų112120.4 Ų120.460%0.59958%0.582SS**Hα-helixtrans-111.8-6.8-169.4-75.4-12.7000117K434 V435K434-N438 PolarHBondContact O-N 3.38Å; K434-N438 VanDerWaalsContact O-N 3.09Å; V435-N438 PolarHBondContact O-N 3.28Å
439G39.5Very low48.8Very low44 Ų44115.3 Ų115.345%0.45456%0.563SS.*  trans64.4104.1171.900000115.5V435V435-G439 PolarHBondContact O-N 3.21Å
440Y37.5Very low49.4Very low224 Ų224115 Ų11588%0.87856%0.564SS**  trans71107.5171.4-64.1-85.3000118.1
441Q38.8Very low49.8Very low134 Ų134112.6 Ų112.663%0.62656%0.555SS**  trans-138.7143146.2-78.1-179.76.100109.9E456Q441-E456 PolarHBondContact NE2-OE1 3.46Å
442S39Very low50.5Low123 Ų123109.2 Ų109.286%0.8654%0.542SS*.  trans-73.1127.5178.2-1770000111S444S442-S444 PolarHBondContact O-N 3.47Å; S442-S444 VanDerWaalsContact O-N 3.11Å
443L41.8Very low50.8Low130 Ų130104.2 Ų104.268%0.68153%0.53SS*.  trans-74.299.3179.2-71.4163.8000110.4R445L443-R445 PolarHBondContact O-N 3.09Å
444S41.6Very low50.9Low74 Ų74101.5 Ų101.552%0.51751%0.513SS..  trans-60.1118.4161166.30000109.4S442S442-S444 PolarHBondContact O-N 3.47Å; S442-S444 VanDerWaalsContact O-N 3.11Å
445R43.7Very low51.3Low241 Ų24198.6 Ų98.691%0.90950%0.504SS*.SBendtrans-84.8-10.2-165.5-160.8170.4163.9-172.8-5.3114.1L443L443-R445 PolarHBondContact O-N 3.09Å
446N44.6Very low51.5Low157 Ų157100 Ų10084%0.8451%0.507SS*.  trans-142.584.1-176.3-82.1-15.6000111.8
447Q53.5Low52Low125 Ų12596.2 Ų96.258%0.58449%0.487SS*.  trans-111.8134.9164.5-79.9175.3-7.400109.9
448Q58.3Low52.4Low175 Ų17592.6 Ų92.682%0.81847%0.474SS*.  trans-55.2149167.9-169.3170.48.400109.5D450Q448-D450 PolarHBondContact O-N 3.37Å
449F61.8Low52.6Low18 Ų1893.8 Ų93.88%0.07949%0.485CS..  trans-57.7126-178.8171.3-99.9000111K410 V413 L423 F427 W451K410-F449 WeakPolarHBondContact CE-O 3.43Å; K410-F449 HydrophobicContact CG-CD1 4.09Å; K410-F449 HydrophobicContact CG-CE1 4.36Å; K410-F449 PolarHBondContact NZ-O 3.04Å; V413-F449 HydrophobicContact CG1-CE1 4.42Å; V413-F449 HydrophobicContact CG1-CZ 4.34Å; L423-F449 HydrophobicContact CB-CE2 3.91Å; L423-F449 HydrophobicContact CD1-CE2 3.78Å; L423-F449 HydrophobicContact CD1-CZ 3.77Å; L423-F449 HydrophobicContact CG-CE2 4.4Å; F427-F449 HydrophobicContact CD2-CE2 4.35Å; F427-F449 AromaticContact CE2-CE2 3.88Å; F427-F449 HydrophobicContact CE2-CE2 3.88Å; F427-F449 HydrophobicContact CE2-CZ 4.45Å; F449-W451 AromaticContact CE1-CD2 3.92Å; F449-W451 HydrophobicContact CE1-CD2 3.92Å; F449-W451 AromaticContact CE1-CE2 3.53Å; F449-W451 HydrophobicContact CE1-CE3 4.45Å; F449-W451 HydrophobicContact CE1-CG 4.35Å; F449-W451 HydrophobicContact CE1-CH2 4.31Å; F449-W451 AromaticContact CE1-CZ2 3.75Å; F449-W451 HydrophobicContact CE1-CZ2 3.75Å; F449-W451 AromaticContact CE1-NE1 3.79Å; F449-W451 AromaticContact CZ-CD2 3.64Å; F449-W451 HydrophobicContact CZ-CD2 3.64Å; F449-W451 AromaticContact CZ-CE2 3.62Å; F449-W451 AromaticContact CZ-CE3 3.73Å; F449-W451 HydrophobicContact CZ-CE3 3.73Å; F449-W451 HydrophobicContact CZ-CG 4.34Å; F449-W451 AromaticContact CZ-CH2 3.77Å; F449-W451 HydrophobicContact CZ-CH2 3.77Å; F449-W451 AromaticContact CZ-CZ2 3.68Å; F449-W451 HydrophobicContact CZ-CZ2 3.68Å; F449-W451 AromaticContact CZ-CZ3 3.8Å; F449-W451 HydrophobicContact CZ-CZ3 3.8Å
450D72.8Confident53.2Low56 Ų5693.6 Ų93.630%0.29948%0.484SS..  trans-141.5125.6178173.713.9000109.2Q448 F452 S453Q448-D450 PolarHBondContact O-N 3.37Å; D450-F452 PolarHBondContact O-N 3.14Å; D450-F452 PolarHBondContact OD1-N 3.11Å; D450-S453 WeakPolarHBondContact O-CB 3.22Å; D450-S453 PolarHBondContact O-N 2.86Å; D450-S453 PolarHBondContact O-OG 2.7Å
451W71.4Confident54.2Low0 Ų090.4 Ų90.40%047%0.47CS..THydrogen-bonded Turntrans-58.8-33.2-180-65.8109.9000112.2V381 I384 V388 L405 L409 V413 L423 F427 F449V381-W451 HydrophobicContact CG1-CH2 4.45Å; I384-W451 HydrophobicContact CG2-CE3 4.32Å; I384-W451 HydrophobicContact CG2-CH2 4.36Å; I384-W451 HydrophobicContact CG2-CZ3 4.07Å; V388-W451 WeakPolarHBondContact CG1-O 3.17Å; L405-W451 PolarHBondContact O-NE1 3.18Å; L405-W451 VanDerWaalsContact O-NE1 3.11Å; L409-W451 HydrophobicContact CD2-CH2 4.09Å; L409-W451 HydrophobicContact CD2-CZ2 3.75Å; L409-W451 HydrophobicContact CG-CZ2 4.03Å; V413-W451 HydrophobicContact CG2-CH2 4.25Å; V413-W451 HydrophobicContact CG2-CZ2 4.15Å; L423-W451 HydrophobicContact CD1-CH2 3.92Å; L423-W451 HydrophobicContact CD1-CZ3 4.04Å; L423-W451 HydrophobicContact CD2-CZ3 4.07Å; F427-W451 HydrophobicContact CE2-CE3 4.39Å; F427-W451 HydrophobicContact CZ-CE3 4.16Å; F449-W451 AromaticContact CE1-CD2 3.92Å; F449-W451 HydrophobicContact CE1-CD2 3.92Å; F449-W451 AromaticContact CE1-CE2 3.53Å; F449-W451 HydrophobicContact CE1-CE3 4.45Å; F449-W451 HydrophobicContact CE1-CG 4.35Å; F449-W451 HydrophobicContact CE1-CH2 4.31Å; F449-W451 AromaticContact CE1-CZ2 3.75Å; F449-W451 HydrophobicContact CE1-CZ2 3.75Å; F449-W451 AromaticContact CE1-NE1 3.79Å; F449-W451 AromaticContact CZ-CD2 3.64Å; F449-W451 HydrophobicContact CZ-CD2 3.64Å; F449-W451 AromaticContact CZ-CE2 3.62Å; F449-W451 AromaticContact CZ-CE3 3.73Å; F449-W451 HydrophobicContact CZ-CE3 3.73Å; F449-W451 HydrophobicContact CZ-CG 4.34Å; F449-W451 AromaticContact CZ-CH2 3.77Å; F449-W451 HydrophobicContact CZ-CH2 3.77Å; F449-W451 AromaticContact CZ-CZ2 3.68Å; F449-W451 HydrophobicContact CZ-CZ2 3.68Å; F449-W451 AromaticContact CZ-CZ3 3.8Å; F449-W451 HydrophobicContact CZ-CZ3 3.8Å
452F74.8Confident55.8Low13 Ų1385.6 Ų85.66%0.05745%0.448CS..THydrogen-bonded Turntrans-97.41.7-173.6-58.4-82.9000113.7V388 G392 L395 K396 L405 D450 S454 C455V388-F452 HydrophobicContact CG1-CD1 3.99Å; V388-F452 HydrophobicContact CG1-CE1 4.04Å; G392-F452 WeakPolarHBondContact O-CE1 3.34Å; L395-F452 HydrophobicContact CB-CE1 4.23Å; L395-F452 HydrophobicContact CB-CZ 4.42Å; K396-F452 HydrophobicContact CB-CD1 4.45Å; K396-F452 HydrophobicContact CB-CE1 4.04Å; K396-F452 HydrophobicContact CB-CE2 4.46Å; K396-F452 HydrophobicContact CB-CZ 4.04Å; L405-F452 HydrophobicContact CD1-CE2 4.41Å; L405-F452 HydrophobicContact CD1-CZ 3.96Å; D450-F452 PolarHBondContact O-N 3.14Å; D450-F452 PolarHBondContact OD1-N 3.11Å; F452-S454 PolarHBondContact O-N 3.37Å; F452-C455 WeakPolarHBondContact O-CB 3.05Å; F452-C455 PolarHBondContact O-N 3Å
453S62.5Low57.6Low39 Ų3984.3 Ų84.327%0.27343%0.429SS..THydrogen-bonded Turntrans-60.3-12.5-177.959.80000115.7D450D450-S453 WeakPolarHBondContact O-CB 3.22Å; D450-S453 PolarHBondContact O-N 2.86Å; D450-S453 PolarHBondContact O-OG 2.7Å
454S57.5Low59.6Low9 Ų979.4 Ų79.46%0.06341%0.405CS..THydrogen-bonded Turntrans-107.90.6177.368.70000114.2F427 K434 F452F427-S454 WeakPolarHBondContact CD1-OG 3.4Å; K434-S454 PolarHBondContact NZ-O 3.45Å; F452-S454 PolarHBondContact O-N 3.37Å
455C58.3Low61.8Low30 Ų3077.7 Ų77.720%0.20339%0.389CS..  trans-90.8111.3176.5-58.60000108.3L393 F452L393-C455 HydrophobicContact CD2-CB 4.37Å; L393-C455 HydrophobicContact CG-CB 4.43Å; F452-C455 WeakPolarHBondContact O-CB 3.05Å; F452-C455 PolarHBondContact O-N 3Å
456E55.8Low63.9Low93 Ų9368.9 Ų68.944%0.43536%0.358SS..PPolyproline II helixtrans-93.4146170-67.4-172.9148.400109.3Q441Q441-E456 PolarHBondContact NE2-OE1 3.46Å
457E54.9Low65.9Low94 Ų9461.6 Ų61.644%0.43932%0.319SS..PPolyproline II helixtrans-66.1138.4162.4-72.5-168.9145.200108.3L393 V459 K466L393-E457 HydrophobicContact CD1-CG 3.47Å; L393-E457 VanDerWaalsContact CD1-CG 3.47Å; E457-V459 PolarHBondContact O-N 3.07Å; E457-V459 VanDerWaalsContact O-N 3.07Å; E457-K466 IonicContact OE1-NZ 3.29Å; E457-K466 PolarHBondContact OE1-NZ 3.17Å
458P51.7Low67.4Low53 Ų5361.5 Ų61.534%0.34432%0.319SS..PPolyproline II helixtrans-55.3121.1-178.818.1-28000110.3G460 P464P458-G460 PolarHBondContact O-N 3.33Å; P458-G460 VanDerWaalsContact O-N 3.07Å; P458-P464 HydrophobicContact CG-CG 3.36Å
459V44.6Very low68.9Low137 Ų13756.2 Ų56.283%0.8330%0.296SS*.  trans-75.699.4179.4-176.40000107.8E457E457-V459 PolarHBondContact O-N 3.07Å; E457-V459 VanDerWaalsContact O-N 3.07Å
460G51.6Low70.2Confident41 Ų4162.6 Ų62.642%0.42332%0.324SS..SBendtrans-165.1160.2179.600000111.2P458 L462P458-G460 PolarHBondContact O-N 3.33Å; P458-G460 VanDerWaalsContact O-N 3.07Å; G460-L462 PolarHBondContact O-N 3.15Å
461R58.9Low71Confident156 Ų15661.3 Ų61.359%0.58932%0.318SS*.SBendtrans-67.4-17.5177.7-68.2178.9-171.8-161.20.7112.9D783 R811R461-D783 IonicContact CZ-OD1 3.34Å; R461-D783 IonicContact NE-OD1 3.69Å; R461-D783 IonicContact NH2-OD1 3.22Å; R461-D783 PolarHBondContact NH2-OD1 3.24Å; R461-D783 IonicContact NH2-OD2 2.7Å; R461-R811 VanDerWaalsContact CD-NH1 3.32Å
462L72.3Confident71.8Confident33 Ų3364.8 Ų64.817%0.17334%0.336CS..SBendtrans-111.4115.8178.5-105.2160.2000109.9G460 Y583 E586 R616G460-L462 PolarHBondContact O-N 3.15Å; L462-Y583 HydrophobicContact CD1-CD2 4.16Å; L462-Y583 HydrophobicContact CD1-CE2 3.66Å; L462-E586 HydrophobicContact CB-CB 4.29Å; L462-E586 HydrophobicContact CD1-CB 4.01Å; L462-E586 WeakPolarHBondContact CD1-OE2 3.35Å; L462-R616 VanDerWaalsContact CD2-NH2 3.32Å
463Q77.1Confident72.5Confident96 Ų9664.1 Ų64.145%0.44933%0.333SS..PPolyproline II helixtrans-80.6141.2174.2-68.3-62.3-31.100110.4
464P84.9Confident73.8Confident27 Ų2766.7 Ų66.718%0.17534%0.341CS..PPolyproline II helixtrans-59.4138.5172.1-21.231.6000111.2P458 K466 A590P458-P464 HydrophobicContact CG-CG 3.36Å; P464-K466 PolarHBondContact O-N 3.32Å; P464-A590 HydrophobicContact CG-CB 4.41Å
465I87.8Confident75.4Confident38 Ų3866.2 Ų66.220%0.19534%0.338CS..PPolyproline II helixtrans-75.1121.3174.1-58.5172000108.1V489 A612 N613I465-V489 HydrophobicContact CG2-CG1 4.38Å; I465-V489 HydrophobicContact CG2-CG2 3.76Å; I465-A612 HydrophobicContact CB-CB 4.04Å; I465-A612 HydrophobicContact CD1-CB 4.37Å; I465-A612 HydrophobicContact CG2-CB 3.8Å; I465-N613 WeakPolarHBondContact CB-OD1 3.43Å; I465-N613 PolarHBondContact N-OD1 3.33Å; I465-N613 PolarHBondContact O-ND2 2.57Å; I465-N613 VanDerWaalsContact O-ND2 3.1Å
466K87Confident76.9Confident57 Ų5765.9 Ų65.925%0.24833%0.332CS..PPolyproline II helixtrans-93.5158.8176.5-62.6166.5175.1178.40110.2E397 E457 P464 Q468 D469E397-K466 VanDerWaalsContact OE1-CD 3.24Å; E397-K466 WeakPolarHBondContact OE1-CD 3.42Å; E457-K466 IonicContact OE1-NZ 3.29Å; E457-K466 PolarHBondContact OE1-NZ 3.17Å; P464-K466 PolarHBondContact O-N 3.32Å; K466-Q468 VanDerWaalsContact C-N 3.28Å; K466-Q468 PolarHBondContact O-N 3.26Å; K466-D469 PolarHBondContact N-OD2 3.07Å; K466-D469 WeakPolarHBondContact O-CB 3.49Å; K466-D469 PolarHBondContact O-N 3.44Å
467A85.5Confident78.4Confident3 Ų366 Ų663%0.02533%0.332CS..THydrogen-bonded Turntrans-62-36.6-177.300000112.8V489 S490 G608 T610A467-V489 PolarHBondContact O-N 3.25Å; A467-S490 PolarHBondContact O-N 2.9Å; A467-S490 PolarHBondContact O-OG 3.17Å; A467-G608 VanDerWaalsContact CB-O 3.26Å; A467-G608 WeakPolarHBondContact CB-O 3.48Å; A467-T610 HydrophobicContact CB-CG2 4.3Å
468Q86.6Confident79.7Confident123 Ų12363.4 Ų63.458%0.57533%0.326SS*.THydrogen-bonded Turntrans-88.4-3.1-177.2-59.6-60.3-21.700113.9K466 K470K466-Q468 VanDerWaalsContact C-N 3.28Å; K466-Q468 PolarHBondContact O-N 3.26Å; Q468-K470 PolarHBondContact O-N 3.2Å
469D88.8Confident81.1Confident65 Ų6564.9 Ų64.935%0.34833%0.331SS..  trans-61.8135.1176.4-71.1-15.7000109.6K466 P488 V489K466-D469 PolarHBondContact N-OD2 3.07Å; K466-D469 WeakPolarHBondContact O-CB 3.49Å; K466-D469 PolarHBondContact O-N 3.44Å; D469-P488 CarbonylContact O-C 3.52Å; D469-P488 WeakPolarHBondContact O-CA 3.14Å; D469-V489 HydrophobicContact CB-CG2 4.41Å; D469-V489 WeakPolarHBondContact O-CG2 3.23Å; D469-V489 PolarHBondContact O-N 3.49Å
470K89.4Confident82.8Confident152 Ų15260.3 Ų60.366%0.66131%0.305SS*.EExtended strand (participates in β ladder)trans-85.8123.8179.1-63.7-174.6179.1-177.70109.8Q468 M486 L487Q468-K470 PolarHBondContact O-N 3.2Å; K470-M486 HydrophobicContact CB-CE 3.87Å; K470-M486 WeakPolarHBondContact O-CE 3.49Å; K470-L487 WeakPolarHBondContact CA-O 3.15Å
471V88.7Confident84.4Confident28 Ų2864.6 Ų64.617%0.1731%0.312CS..EExtended strand (participates in β ladder)trans-117154.1177-65.30000111.1Y473 M486 L487 V489 Y529V471-Y473 HydrophobicContact CG2-CD2 3.93Å; V471-Y473 HydrophobicContact CG2-CE2 3.46Å; V471-Y473 VanDerWaalsContact CG2-CE2 3.46Å; V471-Y473 PolarHBondContact O-N 3.47Å; V471-M486 WeakPolarHBondContact O-CA 3.47Å; V471-L487 PolarHBondContact N-O 2.94Å; V471-L487 PolarHBondContact O-N 2.85Å; V471-L487 VanDerWaalsContact O-N 3.13Å; V471-V489 HydrophobicContact CB-CG2 4.36Å; V471-V489 HydrophobicContact CG1-CG2 3.51Å; V471-V489 HydrophobicContact CG2-CG2 3.91Å; V471-Y529 HydrophobicContact CB-CD1 4.43Å; V471-Y529 HydrophobicContact CB-CE1 4.36Å; V471-Y529 HydrophobicContact CG2-CD1 4.01Å; V471-Y529 HydrophobicContact CG2-CE1 4.43Å; V471-Y529 HydrophobicContact CG2-CG 4.19Å
472L89.5Confident85.9Confident73 Ų7361.3 Ų61.338%0.38231%0.311SS..EExtended strand (participates in β ladder)trans-81.2106.8177.2-170.969.9000109.7L485 M486 Y529L472-L485 CarbonylContact C-O 3.3Å; L472-L485 WeakPolarHBondContact CA-O 3.43Å; L472-M486 HydrophobicContact CB-SD 3.81Å; L472-M486 HydrophobicContact CD1-CG 4.25Å; L472-M486 HydrophobicContact CD1-SD 3.66Å; L472-M486 HydrophobicContact CG-SD 4.38Å; L472-Y529 VanDerWaalsContact O-CE2 3.23Å; L472-Y529 WeakPolarHBondContact O-CE2 3.47Å
473Y89.3Confident86.7Confident0 Ų061.9 Ų61.90%031%0.314CS..EExtended strand (participates in β ladder)trans-81.8115.3169.9-77.4-106.9000109.3V471 S484 L485 L487 P488 V489 V496 L538V471-Y473 HydrophobicContact CG2-CD2 3.93Å; V471-Y473 HydrophobicContact CG2-CE2 3.46Å; V471-Y473 VanDerWaalsContact CG2-CE2 3.46Å; V471-Y473 PolarHBondContact O-N 3.47Å; Y473-S484 WeakPolarHBondContact O-CA 3.46Å; Y473-L485 PolarHBondContact N-O 3.17Å; Y473-L485 PolarHBondContact O-N 3.28Å; Y473-L487 HydrophobicContact CD2-CB 3.81Å; Y473-L487 HydrophobicContact CD2-CD1 4.46Å; Y473-L487 HydrophobicContact CE2-CB 3.73Å; Y473-P488 PolarHBondContact OH-O 3.31Å; Y473-V489 PolarHBondContact OH-O 2.78Å; Y473-V496 HydrophobicContact CD1-CG2 4.44Å; Y473-V496 HydrophobicContact CE1-CG2 4.11Å; Y473-L538 HydrophobicContact CD1-CD1 4.26Å
474E90.1Very high87.4Confident92 Ų9260.7 Ų60.743%0.4332%0.316SS..EExtended strand (participates in β ladder)trans-95.9104.2169.9-64.4-176.3150.100109.4
475I91Very high87.6Confident0 Ų061 Ų610%032%0.316CS..EExtended strand (participates in β ladder)trans-116.3131.9-176.9-59.1167.4000108.3L483 L485 V496 I500 L509 L538 I540I475-L483 PolarHBondContact N-O 3.22Å; I475-L483 WeakPolarHBondContact O-CA 3.43Å; I475-L483 VanDerWaalsContact O-CB 3.24Å; I475-L483 WeakPolarHBondContact O-CB 3.46Å; I475-L483 PolarHBondContact O-N 2.84Å; I475-L485 HydrophobicContact CD1-CD1 4.11Å; I475-V496 HydrophobicContact CD1-CG1 3.44Å; I475-V496 VanDerWaalsContact CD1-CG1 3.44Å; I475-I500 HydrophobicContact CD1-CD1 3.66Å; I475-I500 HydrophobicContact CG2-CD1 4.4Å; I475-L509 HydrophobicContact CG2-CD1 4.01Å; I475-L538 HydrophobicContact CG1-CB 4.1Å; I475-L538 HydrophobicContact CG1-CD1 4.34Å; I475-L538 HydrophobicContact CG2-CB 4.47Å; I475-I540 HydrophobicContact CG2-CB 3.99Å; I475-I540 HydrophobicContact CG2-CG2 3.9Å
476Y90.2Very high87.9Confident22 Ų2264.4 Ų64.49%0.08633%0.332CS..EExtended strand (participates in β ladder)trans-101.2140.3-177.5-65.3-95.9000110.6K481 P482 R537 L538 F539 I540 L554Y476-K481 WeakPolarHBondContact CA-O 3.44Å; Y476-P482 HydrophobicContact CD1-CB 4.11Å; Y476-P482 HydrophobicContact CE1-CB 3.79Å; Y476-R537 HydrophobicContact CD2-CB 4.3Å; Y476-R537 HydrophobicContact CE2-CB 4.29Å; Y476-R537 HydrophobicContact CE2-CG 4.27Å; Y476-L538 PolarHBondContact N-O 2.99Å; Y476-F539 VanDerWaalsContact CB-CE1 3.49Å; Y476-F539 HydrophobicContact CG-CE1 4.19Å; Y476-F539 HydrophobicContact CG-CZ 4.48Å; Y476-F539 CarbonylContact O-C 3.58Å; Y476-F539 WeakPolarHBondContact O-CA 3.36Å; Y476-I540 PolarHBondContact O-N 3.03Å; Y476-L554 HydrophobicContact CD1-CD1 3.7Å; Y476-L554 HydrophobicContact CD1-CD2 4.29Å; Y476-L554 HydrophobicContact CD2-CD1 3.87Å; Y476-L554 HydrophobicContact CE1-CD1 3.5Å; Y476-L554 HydrophobicContact CE1-CD2 4.4Å; Y476-L554 HydrophobicContact CE2-CD1 3.7Å; Y476-L554 HydrophobicContact CG-CD1 3.87Å; Y476-L554 VanDerWaalsContact CZ-CD1 3.49Å
477K87.6Confident88Confident97 Ų9763 Ų6342%0.42233%0.328SS..EExtended strand (participates in β ladder)trans-76.1170.8169-71.5-176.4-180-174.70110.7D479 S480 K481 I540K477-D479 WeakPolarHBondContact CB-OD1 3.43Å; K477-D479 PolarHBondContact O-N 2.71Å; K477-D479 VanDerWaalsContact O-N 3.14Å; K477-S480 WeakPolarHBondContact O-CA 3.41Å; K477-S480 PolarHBondContact O-N 3.48Å; K477-K481 PolarHBondContact N-O 3.32Å; K477-I540 HydrophobicContact CG-CG2 4.19Å
478A82Confident88.3Confident39 Ų3964.4 Ų64.432%0.32234%0.336SS..THydrogen-bonded Turntrans-54.5-29.9173.900000113.3S480 I540 C541 E545A478-S480 PolarHBondContact O-N 3.41Å; A478-I540 PolarHBondContact N-O 3.38Å; A478-C541 HydrophobicContact CB-CB 4.24Å; A478-E545 HydrophobicContact CB-CB 4.38Å
479D80.3Confident88.4Confident83 Ų8358.6 Ų58.644%0.44431%0.309SS..THydrogen-bonded Turntrans-8210.1175.472.7-13.1000114.3K477 K481K477-D479 WeakPolarHBondContact CB-OD1 3.43Å; K477-D479 PolarHBondContact O-N 2.71Å; K477-D479 VanDerWaalsContact O-N 3.14Å; D479-K481 PolarHBondContact O-N 3.25Å; D479-K481 WeakPolarHBondContact OD1-CB 3.49Å; D479-K481 PolarHBondContact OD1-N 2.58Å; D479-K481 VanDerWaalsContact OD1-N 3.17Å; D479-K481 VanDerWaalsContact OD2-CD 3.23Å; D479-K481 WeakPolarHBondContact OD2-CD 3.39Å; D479-K481 VanDerWaalsContact OD2-CE 3.27Å; D479-K481 WeakPolarHBondContact OD2-CE 3.44Å; D479-K481 WeakPolarHBondContact OD2-CG 3.47Å; D479-K481 IonicContact OD2-NZ 3.69Å; D479-K481 PolarHBondContact OD2-NZ 3.01Å
480S80.5Confident88.3Confident41 Ų4156.5 Ų56.529%0.28730%0.3SS..  trans63.115.5-177.8-55.50000115.2K477 A478K477-S480 WeakPolarHBondContact O-CA 3.41Å; K477-S480 PolarHBondContact O-N 3.48Å; A478-S480 PolarHBondContact O-N 3.41Å
481K85.4Confident88.3Confident131 Ų13149.3 Ų49.357%0.5727%0.269SS*.  trans-76.5131.2170.3-69.3-175.3-172.5126.60110.7Y476 K477 D479Y476-K481 WeakPolarHBondContact CA-O 3.44Å; K477-K481 PolarHBondContact N-O 3.32Å; D479-K481 PolarHBondContact O-N 3.25Å; D479-K481 WeakPolarHBondContact OD1-CB 3.49Å; D479-K481 PolarHBondContact OD1-N 2.58Å; D479-K481 VanDerWaalsContact OD1-N 3.17Å; D479-K481 VanDerWaalsContact OD2-CD 3.23Å; D479-K481 WeakPolarHBondContact OD2-CD 3.39Å; D479-K481 VanDerWaalsContact OD2-CE 3.27Å; D479-K481 WeakPolarHBondContact OD2-CE 3.44Å; D479-K481 WeakPolarHBondContact OD2-CG 3.47Å; D479-K481 IonicContact OD2-NZ 3.69Å; D479-K481 PolarHBondContact OD2-NZ 3.01Å
482P89.1Confident88.3Confident88 Ų8848.6 Ų48.657%0.57127%0.265SS*.EExtended strand (participates in β ladder)trans-72.7142.4176.630.4-33.7000110.8Y476Y476-P482 HydrophobicContact CD1-CB 4.11Å; Y476-P482 HydrophobicContact CE1-CB 3.79Å
483L90.1Very high88.3Confident45 Ų4545.1 Ų45.124%0.23625%0.247CC..EExtended strand (participates in β ladder)trans-123.1122169.8-172.695000106.9I475 L485 I500I475-L483 PolarHBondContact N-O 3.22Å; I475-L483 WeakPolarHBondContact O-CA 3.43Å; I475-L483 VanDerWaalsContact O-CB 3.24Å; I475-L483 WeakPolarHBondContact O-CB 3.46Å; I475-L483 PolarHBondContact O-N 2.84Å; L483-L485 HydrophobicContact CD2-CD1 3.93Å; L483-L485 HydrophobicContact CD2-CD2 4.28Å; L483-L485 HydrophobicContact CD2-CG 4.05Å; L483-I500 HydrophobicContact CD2-CB 4.2Å; L483-I500 HydrophobicContact CD2-CD1 3.65Å; L483-I500 HydrophobicContact CD2-CG1 3.55Å; L483-I500 HydrophobicContact CD2-CG2 3.61Å
484S91.4Very high88.3Confident70 Ų7051 Ų5149%0.4927%0.274SS..EExtended strand (participates in β ladder)trans-107.4125.9-177.8-58.90000110.3Y473Y473-S484 WeakPolarHBondContact O-CA 3.46Å
485L90.4Very high88.3Confident34 Ų3451.3 Ų51.318%0.17828%0.275CS..EExtended strand (participates in β ladder)trans-129.4140.4179-60167.7000110.5L472 Y473 I475 L483 L487 A499 I500L472-L485 CarbonylContact C-O 3.3Å; L472-L485 WeakPolarHBondContact CA-O 3.43Å; Y473-L485 PolarHBondContact N-O 3.17Å; Y473-L485 PolarHBondContact O-N 3.28Å; I475-L485 HydrophobicContact CD1-CD1 4.11Å; L483-L485 HydrophobicContact CD2-CD1 3.93Å; L483-L485 HydrophobicContact CD2-CD2 4.28Å; L483-L485 HydrophobicContact CD2-CG 4.05Å; L485-L487 HydrophobicContact CB-CD1 4.24Å; L485-L487 HydrophobicContact CB-CG 4.19Å; L485-L487 HydrophobicContact CD1-CD1 4.27Å; L485-A499 HydrophobicContact CD1-CB 4.45Å; L485-I500 HydrophobicContact CD1-CD1 3.58Å; L485-I500 HydrophobicContact CD1-CG1 3.34Å
486M92.1Very high88.3Confident109 Ų10951.3 Ų51.354%0.53728%0.275SS..EExtended strand (participates in β ladder)trans-97.6105171.4-71-63.2-63.400109.2K470 V471 L472K470-M486 HydrophobicContact CB-CE 3.87Å; K470-M486 WeakPolarHBondContact O-CE 3.49Å; V471-M486 WeakPolarHBondContact O-CA 3.47Å; L472-M486 HydrophobicContact CB-SD 3.81Å; L472-M486 HydrophobicContact CD1-CG 4.25Å; L472-M486 HydrophobicContact CD1-SD 3.66Å; L472-M486 HydrophobicContact CG-SD 4.38Å
487L90.9Very high88.3Confident28 Ų2851.6 Ų51.615%0.14728%0.278CS..EExtended strand (participates in β ladder)trans-129.5153.8-178.2-65173.1000110.4K470 V471 Y473 L485 V496 A499K470-L487 WeakPolarHBondContact CA-O 3.15Å; V471-L487 PolarHBondContact N-O 2.94Å; V471-L487 PolarHBondContact O-N 2.85Å; V471-L487 VanDerWaalsContact O-N 3.13Å; Y473-L487 HydrophobicContact CD2-CB 3.81Å; Y473-L487 HydrophobicContact CD2-CD1 4.46Å; Y473-L487 HydrophobicContact CE2-CB 3.73Å; L485-L487 HydrophobicContact CB-CD1 4.24Å; L485-L487 HydrophobicContact CB-CG 4.19Å; L485-L487 HydrophobicContact CD1-CD1 4.27Å; L487-V496 HydrophobicContact CD1-CB 4.23Å; L487-V496 HydrophobicContact CD1-CG1 4.39Å; L487-V496 HydrophobicContact CD1-CG2 3.78Å; L487-A499 HydrophobicContact CD1-CB 4.49Å; L487-A499 HydrophobicContact CD2-CB 4.38Å
488P90.7Very high88.3Confident32 Ų3251.1 Ų51.121%0.20829%0.287CS..EExtended strand (participates in β ladder)trans-53148.2171.4-26.734.3000112.9D469 Y473 S490 S491D469-P488 CarbonylContact O-C 3.52Å; D469-P488 WeakPolarHBondContact O-CA 3.14Å; Y473-P488 PolarHBondContact OH-O 3.31Å; P488-S490 PolarHBondContact O-N 3.12Å; P488-S491 VanDerWaalsContact CD-OG 3.27Å; P488-S491 WeakPolarHBondContact CD-OG 3.48Å; P488-S491 WeakPolarHBondContact O-CB 3.33Å; P488-S491 PolarHBondContact O-N 2.93Å; P488-S491 VanDerWaalsContact O-N 3.13Å; P488-S491 PolarHBondContact O-OG 2.94Å
489V88.4Confident88.6Confident1 Ų151.9 Ų51.91%0.00629%0.293CS..THydrogen-bonded Turntrans-57.1-38.6173.5172.10000111I465 A467 D469 V471 Y473 S491 A527 T530 A612I465-V489 HydrophobicContact CG2-CG1 4.38Å; I465-V489 HydrophobicContact CG2-CG2 3.76Å; A467-V489 PolarHBondContact O-N 3.25Å; D469-V489 HydrophobicContact CB-CG2 4.41Å; D469-V489 WeakPolarHBondContact O-CG2 3.23Å; D469-V489 PolarHBondContact O-N 3.49Å; V471-V489 HydrophobicContact CB-CG2 4.36Å; V471-V489 HydrophobicContact CG1-CG2 3.51Å; V471-V489 HydrophobicContact CG2-CG2 3.91Å; Y473-V489 PolarHBondContact OH-O 2.78Å; V489-S491 PolarHBondContact O-N 3.07Å; V489-A527 VanDerWaalsContact O-CA 3.25Å; V489-A527 WeakPolarHBondContact O-CA 3.41Å; V489-T530 HydrophobicContact CG1-CG2 4.02Å; V489-A612 HydrophobicContact CG1-CB 4.1Å
490S87.2Confident88.8Confident22 Ų2249.9 Ų49.915%0.15428%0.282CS..THydrogen-bonded Turntrans-74.7-0.5-179.660.90000115.4A467 P488 S492A467-S490 PolarHBondContact O-N 2.9Å; A467-S490 PolarHBondContact O-OG 3.17Å; P488-S490 PolarHBondContact O-N 3.12Å; S490-S492 PolarHBondContact O-N 2.88Å
491S89.3Confident88.9Confident1 Ų149.7 Ų49.71%0.00728%0.279CS..  trans-57137.1-173.2-53.60000112.2P488 V489 E495 A527P488-S491 VanDerWaalsContact CD-OG 3.27Å; P488-S491 WeakPolarHBondContact CD-OG 3.48Å; P488-S491 WeakPolarHBondContact O-CB 3.33Å; P488-S491 PolarHBondContact O-N 2.93Å; P488-S491 VanDerWaalsContact O-N 3.13Å; P488-S491 PolarHBondContact O-OG 2.94Å; V489-S491 PolarHBondContact O-N 3.07Å; S491-E495 VanDerWaalsContact CA-OE2 3.25Å; S491-E495 WeakPolarHBondContact CA-OE2 3.44Å; S491-A527 PolarHBondContact O-N 3.16Å
492S89.4Confident88.2Confident12 Ų1252.5 Ų52.58%0.08429%0.291CS..BIsolated β-bridgetrans-76.6158.4174.464.30000111.9S490 Q494 E495 V496 A525S490-S492 PolarHBondContact O-N 2.88Å; S492-Q494 PolarHBondContact O-N 3.49Å; S492-E495 PolarHBondContact N-OE2 3.28Å; S492-E495 PolarHBondContact O-N 2.83Å; S492-E495 VanDerWaalsContact O-N 3.14Å; S492-E495 WeakPolarHBondContact OG-CB 3.17Å; S492-E495 VanDerWaalsContact OG-CG 3.24Å; S492-E495 WeakPolarHBondContact OG-CG 3.3Å; S492-E495 PolarHBondContact OG-N 3.22Å; S492-E495 VanDerWaalsContact OG-N 3.12Å; S492-E495 PolarHBondContact OG-OE1 3.35Å; S492-V496 VanDerWaalsContact O-CG2 3.3Å; S492-V496 WeakPolarHBondContact O-CG2 3.42Å; S492-V496 PolarHBondContact O-N 3.1Å; S492-A525 CarbonylContact C-O 3.51Å; S492-A525 WeakPolarHBondContact CA-O 3.33Å
493V89.8Confident86.8Confident0 Ų053.4 Ų53.40%031%0.306CS..Hα-helixtrans-56.3-39.2171.8170.40000110.6V496 M497 L509 L521 K522 L523 A525 V528V493-V496 PolarHBondContact O-N 2.83Å; V493-M497 HydrophobicContact CG1-CG 4.29Å; V493-M497 HydrophobicContact CG1-SD 3.82Å; V493-M497 WeakPolarHBondContact O-CB 3.41Å; V493-M497 VanDerWaalsContact O-CG 3.31Å; V493-M497 WeakPolarHBondContact O-CG 3.48Å; V493-M497 PolarHBondContact O-N 3.05Å; V493-L509 HydrophobicContact CG1-CB 3.87Å; V493-L509 HydrophobicContact CG1-CD2 4.04Å; V493-L509 HydrophobicContact CG2-CD2 4.18Å; V493-L521 HydrophobicContact CG2-CB 3.8Å; V493-L521 HydrophobicContact CG2-CD1 4.29Å; V493-K522 WeakPolarHBondContact CB-O 3.31Å; V493-K522 VanDerWaalsContact CG2-O 3.27Å; V493-K522 WeakPolarHBondContact CG2-O 3.08Å; V493-L523 HydrophobicContact CG1-CD2 4.17Å; V493-L523 PolarHBondContact N-O 2.91Å; V493-A525 HydrophobicContact CG2-CB 4.01Å; V493-A525 WeakPolarHBondContact CG2-O 3.37Å; V493-A525 PolarHBondContact N-O 2.81Å; V493-V528 HydrophobicContact CG2-CG2 3.49Å; V493-V528 VanDerWaalsContact CG2-CG2 3.49Å
494Q89.4Confident85.3Confident125 Ų12559.4 Ų59.458%0.58434%0.339SS*.Hα-helixtrans-59.9-46.5175.2-175.5175.4-8.600112.3S492 M497 S498 L523S492-Q494 PolarHBondContact O-N 3.49Å; Q494-M497 PolarHBondContact O-N 3.16Å; Q494-S498 WeakPolarHBondContact O-CB 3.42Å; Q494-S498 PolarHBondContact O-N 2.66Å; Q494-S498 PolarHBondContact O-OG 3.37Å; Q494-L523 HydrophobicContact CB-CB 4.43Å; Q494-L523 PolarHBondContact N-O 3.2Å; Q494-L523 VanDerWaalsContact N-O 3.07Å
495E89.4Confident84.1Confident97 Ų9757.8 Ų57.845%0.45333%0.333SS..Hα-helixtrans-62.3-46.3176-75.8154.1-136.300111.6S491 S492 M497 S498 A499S491-E495 VanDerWaalsContact CA-OE2 3.25Å; S491-E495 WeakPolarHBondContact CA-OE2 3.44Å; S492-E495 PolarHBondContact N-OE2 3.28Å; S492-E495 PolarHBondContact O-N 2.83Å; S492-E495 VanDerWaalsContact O-N 3.14Å; S492-E495 WeakPolarHBondContact OG-CB 3.17Å; S492-E495 VanDerWaalsContact OG-CG 3.24Å; S492-E495 WeakPolarHBondContact OG-CG 3.3Å; S492-E495 PolarHBondContact OG-N 3.22Å; S492-E495 VanDerWaalsContact OG-N 3.12Å; S492-E495 PolarHBondContact OG-OE1 3.35Å; E495-M497 VanDerWaalsContact C-N 3.32Å; E495-M497 PolarHBondContact O-N 2.93Å; E495-S498 WeakPolarHBondContact CA-OG 3.44Å; E495-S498 PolarHBondContact O-N 3.11Å; E495-S498 PolarHBondContact O-OG 3Å; E495-A499 PolarHBondContact O-N 3.02Å
496V90Very high83.8Confident0 Ų061 Ų610%035%0.35CS..Hα-helixtrans-58-45.8177173.60000110.6Y473 I475 L487 S492 V493 A499 I500 L509Y473-V496 HydrophobicContact CD1-CG2 4.44Å; Y473-V496 HydrophobicContact CE1-CG2 4.11Å; I475-V496 HydrophobicContact CD1-CG1 3.44Å; I475-V496 VanDerWaalsContact CD1-CG1 3.44Å; L487-V496 HydrophobicContact CD1-CB 4.23Å; L487-V496 HydrophobicContact CD1-CG1 4.39Å; L487-V496 HydrophobicContact CD1-CG2 3.78Å; S492-V496 VanDerWaalsContact O-CG2 3.3Å; S492-V496 WeakPolarHBondContact O-CG2 3.42Å; S492-V496 PolarHBondContact O-N 3.1Å; V493-V496 PolarHBondContact O-N 2.83Å; V496-A499 PolarHBondContact O-N 3.04Å; V496-I500 HydrophobicContact CG1-CD1 4.31Å; V496-I500 WeakPolarHBondContact O-CD1 3.44Å; V496-I500 WeakPolarHBondContact O-CG1 3.39Å; V496-L509 HydrophobicContact CG1-CD2 4.15Å
497M90Very high83.6Confident29 Ų2958.6 Ų58.614%0.14334%0.338CS..Hα-helixtrans-66.7-42.8178.6-75.2177.252.200112.4V493 Q494 E495 A499 I500 V501 H507 L509 L523V493-M497 HydrophobicContact CG1-CG 4.29Å; V493-M497 HydrophobicContact CG1-SD 3.82Å; V493-M497 WeakPolarHBondContact O-CB 3.41Å; V493-M497 VanDerWaalsContact O-CG 3.31Å; V493-M497 WeakPolarHBondContact O-CG 3.48Å; V493-M497 PolarHBondContact O-N 3.05Å; Q494-M497 PolarHBondContact O-N 3.16Å; E495-M497 VanDerWaalsContact C-N 3.32Å; E495-M497 PolarHBondContact O-N 2.93Å; M497-A499 PolarHBondContact O-N 3.39Å; M497-I500 PolarHBondContact O-N 3.32Å; M497-V501 PolarHBondContact O-N 3.31Å; M497-H507 HydrophobicContact CE-CB 4.39Å; M497-H507 WeakPolarHBondContact CE-O 3.3Å; M497-L509 HydrophobicContact CG-CB 4.27Å; M497-L509 HydrophobicContact SD-CB 4.25Å; M497-L523 HydrophobicContact CE-CD2 4.29Å; M497-L523 HydrophobicContact SD-CD2 3.73Å
498S88.9Confident83.5Confident87 Ų8757.8 Ų57.861%0.60833%0.334SS*.Hα-helixtrans-62.8-27.1178.873.50000113.2Q494 E495 I500Q494-S498 WeakPolarHBondContact O-CB 3.42Å; Q494-S498 PolarHBondContact O-N 2.66Å; Q494-S498 PolarHBondContact O-OG 3.37Å; E495-S498 WeakPolarHBondContact CA-OG 3.44Å; E495-S498 PolarHBondContact O-N 3.11Å; E495-S498 PolarHBondContact O-OG 3Å; S498-I500 VanDerWaalsContact C-N 3.25Å; S498-I500 PolarHBondContact O-N 3.18Å
499A87.6Confident83.5Confident54 Ų5456.3 Ų56.345%0.44632%0.324SS..THydrogen-bonded Turntrans-73.4-16.8174.600000113.2L485 L487 E495 V496 M497L485-A499 HydrophobicContact CD1-CB 4.45Å; L487-A499 HydrophobicContact CD1-CB 4.49Å; L487-A499 HydrophobicContact CD2-CB 4.38Å; E495-A499 PolarHBondContact O-N 3.02Å; V496-A499 PolarHBondContact O-N 3.04Å; M497-A499 PolarHBondContact O-N 3.39Å
500I85.5Confident83.6Confident41 Ų4156.3 Ų56.321%0.2132%0.324CS..THydrogen-bonded Turntrans-109.7-44.6-173.8-55.4171.4000111.6I475 L483 L485 V496 M497 S498 I540I475-I500 HydrophobicContact CD1-CD1 3.66Å; I475-I500 HydrophobicContact CG2-CD1 4.4Å; L483-I500 HydrophobicContact CD2-CB 4.2Å; L483-I500 HydrophobicContact CD2-CD1 3.65Å; L483-I500 HydrophobicContact CD2-CG1 3.55Å; L483-I500 HydrophobicContact CD2-CG2 3.61Å; L485-I500 HydrophobicContact CD1-CD1 3.58Å; L485-I500 HydrophobicContact CD1-CG1 3.34Å; V496-I500 HydrophobicContact CG1-CD1 4.31Å; V496-I500 WeakPolarHBondContact O-CD1 3.44Å; V496-I500 WeakPolarHBondContact O-CG1 3.39Å; M497-I500 PolarHBondContact O-N 3.32Å; S498-I500 VanDerWaalsContact C-N 3.25Å; S498-I500 PolarHBondContact O-N 3.18Å; I500-I540 HydrophobicContact CB-CD1 4.02Å; I500-I540 HydrophobicContact CD1-CD1 3.94Å; I500-I540 HydrophobicContact CG2-CD1 3.85Å
501V82.3Confident83.9Confident38 Ų3858.1 Ų58.123%0.2333%0.329CS..SBendtrans-125.9145.6-169.9-166.40000110.7M497 H507 I540M497-V501 PolarHBondContact O-N 3.31Å; V501-H507 WeakPolarHBondContact CG1-CD2 3.19Å; V501-H507 HydrophobicContact CG2-CB 4.31Å; V501-I540 HydrophobicContact CG2-CD1 3.53Å
502K70.3Confident84Confident190 Ų19058.1 Ų58.183%0.82633%0.329SS*.  trans-65.6149.9171.6-63.3-176.8179.2-178.40110.6D504 G505K502-D504 PolarHBondContact O-N 3.24Å; K502-G505 PolarHBondContact O-N 3.44Å
503A60.2Low84Confident107 Ų10758.9 Ų58.988%0.88433%0.332SS*.THydrogen-bonded Turntrans-58-18.5-168.300000116.5
504D59.1Low84Confident171 Ų17159.1 Ų59.191%0.91433%0.334SS*.THydrogen-bonded Turntrans-94.27.4-175.1-69.9-27.1000115K502K502-D504 PolarHBondContact O-N 3.24Å
505G64.9Low83.9Confident36 Ų3655.3 Ų55.337%0.37132%0.321SS..SBendtrans-93138.2-177.800000114.4K502 H507K502-G505 PolarHBondContact O-N 3.44Å; G505-H507 PolarHBondContact O-N 3.1Å
506D83.8Confident83.6Confident102 Ų10251.1 Ų51.155%0.54530%0.304SS..  trans-73.150.6171.5178.933.3000112T542 S543D506-T542 WeakPolarHBondContact O-CA 3.36Å; D506-T542 WeakPolarHBondContact O-CB 3.46Å; D506-S543 PolarHBondContact O-N 3.14Å; D506-S543 PolarHBondContact OD1-OG 3.12Å; D506-S543 WeakPolarHBondContact OD2-CB 3.39Å; D506-S543 PolarHBondContact OD2-OG 3.38Å
507H87.6Confident83.5Confident58 Ų5856.8 Ų56.827%0.26933%0.33SS..EExtended strand (participates in β ladder)trans-93.7147178.5-67.2-77.9000111.1M497 V501 G505 I540 C541M497-H507 HydrophobicContact CE-CB 4.39Å; M497-H507 WeakPolarHBondContact CE-O 3.3Å; V501-H507 WeakPolarHBondContact CG1-CD2 3.19Å; V501-H507 HydrophobicContact CG2-CB 4.31Å; G505-H507 PolarHBondContact O-N 3.1Å; H507-I540 HydrophobicContact CB-CD1 4.47Å; H507-I540 HydrophobicContact CB-CG1 4.31Å; H507-C541 CarbonylContact C-O 3.59Å; H507-C541 WeakPolarHBondContact CA-O 3.15Å
508V89.4Confident83.4Confident10 Ų1058.4 Ų58.46%0.06134%0.335CS..EExtended strand (participates in β ladder)trans-132.2143.8176.5-64.70000109.8V510 Q520 C541 V546V508-V510 HydrophobicContact CG2-CG2 3.96Å; V508-Q520 HydrophobicContact CB-CG 4.34Å; V508-C541 WeakPolarHBondContact CG2-O 3.28Å; V508-C541 PolarHBondContact N-O 2.95Å; V508-C541 PolarHBondContact O-N 2.99Å; V508-V546 HydrophobicContact CG2-CG2 3.59Å
509L91.4Very high83.5Confident1 Ų156.1 Ų56.11%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-93.6123171.4-166.171.6000109.4I475 V493 V496 M497 L521 L538 F539 I540I475-L509 HydrophobicContact CG2-CD1 4.01Å; V493-L509 HydrophobicContact CG1-CB 3.87Å; V493-L509 HydrophobicContact CG1-CD2 4.04Å; V493-L509 HydrophobicContact CG2-CD2 4.18Å; V496-L509 HydrophobicContact CG1-CD2 4.15Å; M497-L509 HydrophobicContact CG-CB 4.27Å; M497-L509 HydrophobicContact SD-CB 4.25Å; L509-L521 HydrophobicContact CD2-CD1 3.94Å; L509-L521 HydrophobicContact CG-CD1 4.16Å; L509-L521 PolarHBondContact O-N 2.98Å; L509-L538 HydrophobicContact CD1-CB 4.5Å; L509-L538 HydrophobicContact CD2-CD2 4.45Å; L509-L538 HydrophobicContact CG-CD2 4.47Å; L509-F539 WeakPolarHBondContact CA-O 3.14Å; L509-I540 HydrophobicContact CD1-CB 4.38Å
510V91.1Very high83.6Confident1 Ų159.9 Ų59.91%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-121.8134.1-174.9179.60000108.8V508 R518 L538 F539 V546V508-V510 HydrophobicContact CG2-CG2 3.96Å; V510-R518 HydrophobicContact CG1-CB 3.71Å; V510-R518 HydrophobicContact CG1-CG 4.14Å; V510-L538 CarbonylContact O-C 3.58Å; V510-F539 PolarHBondContact N-O 2.79Å; V510-F539 PolarHBondContact O-N 3.44Å; V510-V546 HydrophobicContact CG2-CG2 4.22Å
511K92.1Very high83.8Confident61 Ų6159.3 Ų59.327%0.26533%0.327SS..EExtended strand (participates in β ladder)trans-93.3139.1164.263.2169.8-173.2161.60109.9R518 A519 L521 L532 E536 R537 L538K511-R518 WeakPolarHBondContact O-CA 3.31Å; K511-A519 HydrophobicContact CG-CB 3.98Å; K511-A519 WeakPolarHBondContact CG-O 3.5Å; K511-A519 PolarHBondContact N-O 3.42Å; K511-A519 PolarHBondContact O-N 3.26Å; K511-L521 HydrophobicContact CD-CD2 4.04Å; K511-L521 HydrophobicContact CG-CD2 4.02Å; K511-L521 HydrophobicContact CG-CG 4.49Å; K511-L532 HydrophobicContact CB-CD2 4.23Å; K511-E536 IonicContact NZ-OE1 3.81Å; K511-E536 IonicContact NZ-OE2 2.79Å; K511-R537 WeakPolarHBondContact CA-O 3.39Å; K511-L538 HydrophobicContact CB-CD2 4.14Å
512M90.9Very high84.1Confident0 Ų065 Ų650%035%0.348CS..EExtended strand (participates in β ladder)trans-127.9132177.1-176.1168.263.300110.6E517 R518 E536 R537 F539 Q557M512-E517 WeakPolarHBondContact CA-O 3.34Å; M512-R518 HydrophobicContact CB-CG 4.15Å; M512-R518 HydrophobicContact CG-CG 3.96Å; M512-R518 HydrophobicContact SD-CG 4.11Å; M512-E536 VanDerWaalsContact O-CA 3.3Å; M512-E536 WeakPolarHBondContact O-CA 3.21Å; M512-R537 PolarHBondContact N-O 3.47Å; M512-R537 PolarHBondContact O-N 3.28Å; M512-F539 HydrophobicContact CB-CD2 3.92Å; M512-F539 HydrophobicContact CB-CE2 3.83Å; M512-F539 HydrophobicContact CE-CD2 4.2Å; M512-F539 HydrophobicContact CE-CE1 4.1Å; M512-F539 HydrophobicContact CE-CE2 3.47Å; M512-F539 VanDerWaalsContact CE-CE2 3.47Å; M512-F539 HydrophobicContact CE-CZ 3.42Å; M512-F539 VanDerWaalsContact CE-CZ 3.42Å; M512-Q557 PolarHBondContact O-NE2 2.85Å
513N90.6Very high85Confident29 Ų2960.4 Ų60.416%0.15533%0.332CS..  trans-87.2173.8176.675.115.3000112.9S515 G516 E517 E536N513-S515 PolarHBondContact ND2-OG 2.62Å; N513-S515 PolarHBondContact O-N 3.01Å; N513-S515 VanDerWaalsContact O-N 3.16Å; N513-S515 WeakPolarHBondContact OD1-CA 3.14Å; N513-S515 WeakPolarHBondContact OD1-CB 3.43Å; N513-S515 PolarHBondContact OD1-N 3.15Å; N513-S515 PolarHBondContact OD1-OG 2.83Å; N513-G516 PolarHBondContact O-N 3.31Å; N513-G516 PolarHBondContact OD1-N 3.5Å; N513-G516 VanDerWaalsContact OD1-N 3.11Å; N513-E517 PolarHBondContact N-O 3.46Å; N513-E517 PolarHBondContact ND2-OE2 3.21Å; N513-E517 PolarHBondContact OD1-N 3.01Å; N513-E536 HydrophobicContact CB-CG 3.88Å
514S90Very high86.2Confident5 Ų559.7 Ų59.74%0.03531%0.314CS..THydrogen-bonded Turntrans-66.1-13.5-179.156.60000114.5Q557 Q558 D821 N822S514-Q557 WeakPolarHBondContact CB-O 3.48Å; S514-Q558 PolarHBondContact O-NE2 3.14Å; S514-D821 WeakPolarHBondContact CB-OD1 3.45Å; S514-D821 PolarHBondContact OG-OD1 3.36Å; S514-N822 PolarHBondContact O-ND2 2.98Å
515S86Confident87.5Confident44 Ų4452.7 Ų52.731%0.30828%0.28SS..THydrogen-bonded Turntrans-91-7.3173.4750000113.7N513 E517N513-S515 PolarHBondContact ND2-OG 2.62Å; N513-S515 PolarHBondContact O-N 3.01Å; N513-S515 VanDerWaalsContact O-N 3.16Å; N513-S515 WeakPolarHBondContact OD1-CA 3.14Å; N513-S515 WeakPolarHBondContact OD1-CB 3.43Å; N513-S515 PolarHBondContact OD1-N 3.15Å; N513-S515 PolarHBondContact OD1-OG 2.83Å; S515-E517 WeakPolarHBondContact OG-CG 3.39Å
516G84.8Confident88.5Confident10 Ų1052.6 Ų52.610%0.10327%0.272CS..SBendtrans89.22.5-178.500000114.8N513 R518N513-G516 PolarHBondContact O-N 3.31Å; N513-G516 PolarHBondContact OD1-N 3.5Å; N513-G516 VanDerWaalsContact OD1-N 3.11Å; G516-R518 PolarHBondContact O-NH2 2.99Å
517E86.9Confident88.2Confident118 Ų11847.8 Ų47.855%0.55125%0.246SC*.  trans-70142.4172.3-62.1169.7167.400109.9M512 N513 S515M512-E517 WeakPolarHBondContact CA-O 3.34Å; N513-E517 PolarHBondContact N-O 3.46Å; N513-E517 PolarHBondContact ND2-OE2 3.21Å; N513-E517 PolarHBondContact OD1-N 3.01Å; S515-E517 WeakPolarHBondContact OG-CG 3.39Å
518R88.1Confident88Confident64 Ų6445.3 Ų45.324%0.24224%0.235CC..EExtended strand (participates in β ladder)trans-125.7147.2-172.6-59-170.9-157.395.366.5111.4V510 K511 M512 G516 V546 V550V510-R518 HydrophobicContact CG1-CB 3.71Å; V510-R518 HydrophobicContact CG1-CG 4.14Å; K511-R518 WeakPolarHBondContact O-CA 3.31Å; M512-R518 HydrophobicContact CB-CG 4.15Å; M512-R518 HydrophobicContact CG-CG 3.96Å; M512-R518 HydrophobicContact SD-CG 4.11Å; G516-R518 PolarHBondContact O-NH2 2.99Å; R518-V546 PolarHBondContact NH1-O 3.08Å; R518-V550 VanDerWaalsContact CZ-CA 3.46Å; R518-V550 VanDerWaalsContact NH1-CG2 3.28Å
519A89.9Confident87.7Confident39 Ų3949.6 Ų49.632%0.32225%0.251SS..EExtended strand (participates in β ladder)trans-134.5123.5167.800000109.2K511K511-A519 HydrophobicContact CG-CB 3.98Å; K511-A519 WeakPolarHBondContact CG-O 3.5Å; K511-A519 PolarHBondContact N-O 3.42Å; K511-A519 PolarHBondContact O-N 3.26Å
520Q90.5Very high87.3Confident132 Ų13250.6 Ų50.662%0.61726%0.257SS*.EExtended strand (participates in β ladder)trans-67.3134.3168.2-177.4178-6.500109.1V508V508-Q520 HydrophobicContact CB-CG 4.34Å
521L90.1Very high87Confident30 Ų3052.5 Ų52.516%0.15727%0.273CS..PPolyproline II helixtrans-89.7140.6178.5-60.3174.4000110.3V493 L509 K511 V528 L538V493-L521 HydrophobicContact CG2-CB 3.8Å; V493-L521 HydrophobicContact CG2-CD1 4.29Å; L509-L521 HydrophobicContact CD2-CD1 3.94Å; L509-L521 HydrophobicContact CG-CD1 4.16Å; L509-L521 PolarHBondContact O-N 2.98Å; K511-L521 HydrophobicContact CD-CD2 4.04Å; K511-L521 HydrophobicContact CG-CD2 4.02Å; K511-L521 HydrophobicContact CG-CG 4.49Å; L521-V528 HydrophobicContact CD1-CB 4.47Å; L521-V528 HydrophobicContact CD1-CG1 3.32Å; L521-V528 HydrophobicContact CD1-CG2 4.3Å; L521-L538 HydrophobicContact CD1-CD2 3.78Å
522K89.4Confident86.8Confident156 Ų15650.9 Ų50.968%0.67827%0.267SS*.PPolyproline II helixtrans-71.7145.4174.5-57-176.6177.1-177.90110.2V493 D524 A525V493-K522 WeakPolarHBondContact CB-O 3.31Å; V493-K522 VanDerWaalsContact CG2-O 3.27Å; V493-K522 WeakPolarHBondContact CG2-O 3.08Å; K522-D524 WeakPolarHBondContact CB-OD1 3.41Å; K522-D524 PolarHBondContact O-N 3.09Å; K522-A525 VanDerWaalsContact O-CB 3.24Å; K522-A525 WeakPolarHBondContact O-CB 3.34Å; K522-A525 PolarHBondContact O-N 3.48Å
523L87.6Confident86.6Confident94 Ų9452.2 Ų52.249%0.49228%0.281SS..THydrogen-bonded Turntrans-60.8-32.6-176.2-64.4179000113.3V493 Q494 M497 A525V493-L523 HydrophobicContact CG1-CD2 4.17Å; V493-L523 PolarHBondContact N-O 2.91Å; Q494-L523 HydrophobicContact CB-CB 4.43Å; Q494-L523 PolarHBondContact N-O 3.2Å; Q494-L523 VanDerWaalsContact N-O 3.07Å; M497-L523 HydrophobicContact CE-CD2 4.29Å; M497-L523 HydrophobicContact SD-CD2 3.73Å; L523-A525 VanDerWaalsContact C-N 3.32Å
524D86.4Confident86.6Confident92 Ų9251.5 Ų51.549%0.49228%0.277SS..THydrogen-bonded Turntrans-81.4-6.1178.765.8-38.3000113.8K522 T526K522-D524 WeakPolarHBondContact CB-OD1 3.41Å; K522-D524 PolarHBondContact O-N 3.09Å; D524-T526 PolarHBondContact O-N 3.49Å
525A85.8Confident86.7Confident24 Ų2452.1 Ų52.120%0.19828%0.28CS..  trans-68.9125178.500000110.6S492 V493 K522 L523S492-A525 CarbonylContact C-O 3.51Å; S492-A525 WeakPolarHBondContact CA-O 3.33Å; V493-A525 HydrophobicContact CG2-CB 4.01Å; V493-A525 WeakPolarHBondContact CG2-O 3.37Å; V493-A525 PolarHBondContact N-O 2.81Å; K522-A525 VanDerWaalsContact O-CB 3.24Å; K522-A525 WeakPolarHBondContact O-CB 3.34Å; K522-A525 PolarHBondContact O-N 3.48Å; L523-A525 VanDerWaalsContact C-N 3.32Å
526T85.8Confident87Confident34 Ų3451.4 Ų51.421%0.20927%0.272CS..BIsolated β-bridgetrans-98.3171.4175.256.70000111.3D524 V528 R603D524-T526 PolarHBondContact O-N 3.49Å; T526-V528 VanDerWaalsContact C-N 3.25Å; T526-V528 PolarHBondContact O-N 2.96Å; T526-V528 VanDerWaalsContact O-N 3.14Å; T526-R603 PolarHBondContact O-NE 3.01Å; T526-R603 PolarHBondContact O-NH2 3.04Å
527A77.8Confident87.4Confident1 Ų153.6 Ų53.61%0.00828%0.277CS..  trans51.141.2171.300000114.4V489 S491 Y529 T530 A531 R603V489-A527 VanDerWaalsContact O-CA 3.25Å; V489-A527 WeakPolarHBondContact O-CA 3.41Å; S491-A527 PolarHBondContact O-N 3.16Å; A527-Y529 VanDerWaalsContact C-N 3.3Å; A527-Y529 PolarHBondContact O-N 3.31Å; A527-T530 PolarHBondContact O-OG1 3.46Å; A527-A531 PolarHBondContact O-N 3.34Å; A527-R603 PolarHBondContact O-NH1 2.76Å; A527-R603 VanDerWaalsContact O-NH1 3.08Å; A527-R603 PolarHBondContact O-NH2 2.83Å; A527-R603 VanDerWaalsContact O-NH2 3.11Å
528V83.2Confident87.6Confident6 Ų648 Ų484%0.03625%0.251CS..THydrogen-bonded Turntrans-63.4-39.7-175.7179.80000111.2V493 L521 T526 T530 A531 L538V493-V528 HydrophobicContact CG2-CG2 3.49Å; V493-V528 VanDerWaalsContact CG2-CG2 3.49Å; L521-V528 HydrophobicContact CD1-CB 4.47Å; L521-V528 HydrophobicContact CD1-CG1 3.32Å; L521-V528 HydrophobicContact CD1-CG2 4.3Å; T526-V528 VanDerWaalsContact C-N 3.25Å; T526-V528 PolarHBondContact O-N 2.96Å; T526-V528 VanDerWaalsContact O-N 3.14Å; V528-T530 PolarHBondContact O-N 3.24Å; V528-A531 PolarHBondContact O-N 3.11Å; V528-L538 HydrophobicContact CG1-CD1 3.88Å; V528-L538 HydrophobicContact CG1-CD2 3.58Å; V528-L538 HydrophobicContact CG1-CG 4.35Å
529Y83.3Confident87.8Confident101 Ų10145 Ų4540%0.39624%0.24SC..THydrogen-bonded Turntrans-57.7-47.4-177.9178.1-98.8000112.9V471 L472 A527 A531V471-Y529 HydrophobicContact CB-CD1 4.43Å; V471-Y529 HydrophobicContact CB-CE1 4.36Å; V471-Y529 HydrophobicContact CG2-CD1 4.01Å; V471-Y529 HydrophobicContact CG2-CE1 4.43Å; V471-Y529 HydrophobicContact CG2-CG 4.19Å; L472-Y529 VanDerWaalsContact O-CE2 3.23Å; L472-Y529 WeakPolarHBondContact O-CE2 3.47Å; A527-Y529 VanDerWaalsContact C-N 3.3Å; A527-Y529 PolarHBondContact O-N 3.31Å; Y529-A531 VanDerWaalsContact C-N 3.31Å; Y529-A531 PolarHBondContact O-N 3.35Å
530T83.9Confident87.8Confident22 Ų2243.6 Ų43.614%0.13523%0.227CC..THydrogen-bonded Turntrans-76-23-176.759.50000112.5V489 A527 V528 L532 A612 E615V489-T530 HydrophobicContact CG1-CG2 4.02Å; A527-T530 PolarHBondContact O-OG1 3.46Å; V528-T530 PolarHBondContact O-N 3.24Å; T530-L532 VanDerWaalsContact C-N 3.29Å; T530-L532 PolarHBondContact O-N 3.22Å; T530-A612 HydrophobicContact CG2-CB 3.68Å; T530-E615 VanDerWaalsContact CB-OE2 3.25Å; T530-E615 WeakPolarHBondContact CB-OE2 3.41Å; T530-E615 PolarHBondContact OG1-OE2 2.88Å
531A83.4Confident87.8Confident41 Ų4137.4 Ų37.434%0.33920%0.198SC..THydrogen-bonded Turntrans-79.4-5.8178.900000114.5A527 V528 Y529 E615A527-A531 PolarHBondContact O-N 3.34Å; V528-A531 PolarHBondContact O-N 3.11Å; Y529-A531 VanDerWaalsContact C-N 3.31Å; Y529-A531 PolarHBondContact O-N 3.35Å; A531-E615 WeakPolarHBondContact CA-OE2 3.5Å; A531-E615 PolarHBondContact N-OE2 3.25Å; A531-E615 VanDerWaalsContact N-OE2 3.11Å
532L88.1Confident87.6Confident26 Ų2637.3 Ų37.314%0.13620%0.198CC..  trans-64.6136.4179.5-69.8172.8000111.1K511 T530 E536 L538 R619K511-L532 HydrophobicContact CB-CD2 4.23Å; T530-L532 VanDerWaalsContact C-N 3.29Å; T530-L532 PolarHBondContact O-N 3.22Å; L532-E536 HydrophobicContact CB-CB 4.23Å; L532-E536 HydrophobicContact CD2-CB 3.96Å; L532-L538 HydrophobicContact CD1-CD1 4.32Å; L532-L538 HydrophobicContact CD1-CG 4.11Å; L532-L538 HydrophobicContact CD2-CD2 3.88Å; L532-L538 HydrophobicContact CD2-CG 4.01Å; L532-R619 PolarHBondContact O-NH1 2.84Å
533G87.5Confident87.4Confident28 Ų2832.5 Ų32.529%0.28918%0.184SC..  trans-63.1171.3166.200000112.4N535 E536 R619G533-N535 PolarHBondContact O-N 3.43Å; G533-E536 PolarHBondContact N-OE2 3.49Å; G533-E536 PolarHBondContact O-N 3.37Å; G533-E536 VanDerWaalsContact O-N 3.14Å; G533-R619 PolarHBondContact O-NH1 2.88Å
534L90.2Very high87.2Confident14 Ų1432 Ų327%0.07319%0.189CC..THydrogen-bonded Turntrans-50-57.2-167.4-61.7-175.9000113.2R619 N622 V623 H626 V819 D821L534-R619 HydrophobicContact CD2-CG 3.77Å; L534-R619 PolarHBondContact O-NH2 3.48Å; L534-N622 HydrophobicContact CD1-CB 4.01Å; L534-N622 HydrophobicContact CD2-CB 4.01Å; L534-N622 HydrophobicContact CG-CB 4.24Å; L534-V623 HydrophobicContact CD2-CG2 3.48Å; L534-V623 VanDerWaalsContact CD2-CG2 3.48Å; L534-H626 HydrophobicContact CD1-CB 4.23Å; L534-V819 HydrophobicContact CD1-CG2 3.95Å; L534-D821 HydrophobicContact CB-CB 4.03Å; L534-D821 HydrophobicContact CD1-CB 3.98Å; L534-D821 HydrophobicContact CG-CB 4.49Å
535N92.8Very high87Confident19 Ų1930.7 Ų30.710%0.10218%0.18CC..THydrogen-bonded Turntrans-110.325.1176.6-62.4-41.9000112.5G533 Q557 V819 D821G533-N535 PolarHBondContact O-N 3.43Å; N535-Q557 HydrophobicContact CB-CB 4.44Å; N535-Q557 WeakPolarHBondContact CB-O 3.49Å; N535-Q557 VanDerWaalsContact O-CG 3.31Å; N535-Q557 WeakPolarHBondContact O-CG 3.49Å; N535-Q557 PolarHBondContact O-NE2 3.37Å; N535-V819 PolarHBondContact ND2-O 3.11Å; N535-D821 WeakPolarHBondContact CB-OD1 3.46Å; N535-D821 PolarHBondContact N-OD2 2.69Å; N535-D821 VanDerWaalsContact ND2-CG 3.31Å; N535-D821 PolarHBondContact ND2-OD1 3.07Å
536E92.3Very high86.8Confident29 Ų2931.3 Ų31.314%0.13618%0.181CC..  trans-72.3148.2172.1-67.3-169.7155.800110.8K511 M512 N513 L532 G533K511-E536 IonicContact NZ-OE1 3.81Å; K511-E536 IonicContact NZ-OE2 2.79Å; M512-E536 VanDerWaalsContact O-CA 3.3Å; M512-E536 WeakPolarHBondContact O-CA 3.21Å; N513-E536 HydrophobicContact CB-CG 3.88Å; L532-E536 HydrophobicContact CB-CB 4.23Å; L532-E536 HydrophobicContact CD2-CB 3.96Å; G533-E536 PolarHBondContact N-OE2 3.49Å; G533-E536 PolarHBondContact O-N 3.37Å; G533-E536 VanDerWaalsContact O-N 3.14Å
537R91.9Very high86.3Confident55 Ų5537.3 Ų37.321%0.20821%0.207CC..EExtended strand (participates in β ladder)trans-135.5155.2175.1-66.3-64.6-175.2-83.5-2.2110.4Y476 K511 M512 F539 L554 Q557Y476-R537 HydrophobicContact CD2-CB 4.3Å; Y476-R537 HydrophobicContact CE2-CB 4.29Å; Y476-R537 HydrophobicContact CE2-CG 4.27Å; K511-R537 WeakPolarHBondContact CA-O 3.39Å; M512-R537 PolarHBondContact N-O 3.47Å; M512-R537 PolarHBondContact O-N 3.28Å; R537-F539 HydrophobicContact CB-CE2 3.75Å; R537-F539 HydrophobicContact CB-CZ 4.33Å; R537-L554 HydrophobicContact CG-CD1 4.29Å; R537-Q557 HydrophobicContact CB-CG 4.49Å; R537-Q557 HydrophobicContact CG-CG 3.66Å
538L92.6Very high86.1Confident2 Ų244.4 Ų44.41%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-94.3138.4177.9-67.9172.4000110.5Y473 I475 Y476 L509 V510 K511 L521 V528 L532Y473-L538 HydrophobicContact CD1-CD1 4.26Å; I475-L538 HydrophobicContact CG1-CB 4.1Å; I475-L538 HydrophobicContact CG1-CD1 4.34Å; I475-L538 HydrophobicContact CG2-CB 4.47Å; Y476-L538 PolarHBondContact N-O 2.99Å; L509-L538 HydrophobicContact CD1-CB 4.5Å; L509-L538 HydrophobicContact CD2-CD2 4.45Å; L509-L538 HydrophobicContact CG-CD2 4.47Å; V510-L538 CarbonylContact O-C 3.58Å; K511-L538 HydrophobicContact CB-CD2 4.14Å; L521-L538 HydrophobicContact CD1-CD2 3.78Å; V528-L538 HydrophobicContact CG1-CD1 3.88Å; V528-L538 HydrophobicContact CG1-CD2 3.58Å; V528-L538 HydrophobicContact CG1-CG 4.35Å; L532-L538 HydrophobicContact CD1-CD1 4.32Å; L532-L538 HydrophobicContact CD1-CG 4.11Å; L532-L538 HydrophobicContact CD2-CD2 3.88Å; L532-L538 HydrophobicContact CD2-CG 4.01Å
539F91.1Very high85.5Confident0 Ų044.7 Ų44.70%024%0.241CC..EExtended strand (participates in β ladder)trans-128.3137.5177.7-67.4-97.8000110.1Y476 L509 V510 M512 R537 L549 L554Y476-F539 VanDerWaalsContact CB-CE1 3.49Å; Y476-F539 HydrophobicContact CG-CE1 4.19Å; Y476-F539 HydrophobicContact CG-CZ 4.48Å; Y476-F539 CarbonylContact O-C 3.58Å; Y476-F539 WeakPolarHBondContact O-CA 3.36Å; L509-F539 WeakPolarHBondContact CA-O 3.14Å; V510-F539 PolarHBondContact N-O 2.79Å; V510-F539 PolarHBondContact O-N 3.44Å; M512-F539 HydrophobicContact CB-CD2 3.92Å; M512-F539 HydrophobicContact CB-CE2 3.83Å; M512-F539 HydrophobicContact CE-CD2 4.2Å; M512-F539 HydrophobicContact CE-CE1 4.1Å; M512-F539 HydrophobicContact CE-CE2 3.47Å; M512-F539 VanDerWaalsContact CE-CE2 3.47Å; M512-F539 HydrophobicContact CE-CZ 3.42Å; M512-F539 VanDerWaalsContact CE-CZ 3.42Å; R537-F539 HydrophobicContact CB-CE2 3.75Å; R537-F539 HydrophobicContact CB-CZ 4.33Å; F539-L549 HydrophobicContact CB-CD1 4.27Å; F539-L549 HydrophobicContact CD1-CD2 4.06Å; F539-L554 HydrophobicContact CZ-CD1 3.98Å; F539-L554 HydrophobicContact CZ-CG 4.08Å
540I90.4Very high84.2Confident10 Ų1044 Ų445%0.05125%0.248CC..EExtended strand (participates in β ladder)trans-109124167.8-168.5166000109I475 Y476 K477 A478 I500 V501 H507 L509I475-I540 HydrophobicContact CG2-CB 3.99Å; I475-I540 HydrophobicContact CG2-CG2 3.9Å; Y476-I540 PolarHBondContact O-N 3.03Å; K477-I540 HydrophobicContact CG-CG2 4.19Å; A478-I540 PolarHBondContact N-O 3.38Å; I500-I540 HydrophobicContact CB-CD1 4.02Å; I500-I540 HydrophobicContact CD1-CD1 3.94Å; I500-I540 HydrophobicContact CG2-CD1 3.85Å; V501-I540 HydrophobicContact CG2-CD1 3.53Å; H507-I540 HydrophobicContact CB-CD1 4.47Å; H507-I540 HydrophobicContact CB-CG1 4.31Å; L509-I540 HydrophobicContact CD1-CB 4.38Å
541C89.4Confident83Confident1 Ų150.8 Ų50.81%0.00728%0.278CS..EExtended strand (participates in β ladder)trans-152.3164.2-175.656.90000109.5A478 H507 V508 E545 L549A478-C541 HydrophobicContact CB-CB 4.24Å; H507-C541 CarbonylContact C-O 3.59Å; H507-C541 WeakPolarHBondContact CA-O 3.15Å; V508-C541 WeakPolarHBondContact CG2-O 3.28Å; V508-C541 PolarHBondContact N-O 2.95Å; V508-C541 PolarHBondContact O-N 2.99Å; C541-E545 HydrophobicContact CB-CB 4.01Å; C541-L549 HydrophobicContact CB-CD1 4.12Å; C541-L549 VanDerWaalsContact SG-CD1 3.56Å
542T87.7Confident82.1Confident28 Ų2857.5 Ų57.517%0.17229%0.294CS..EExtended strand (participates in β ladder)trans-77.3159.4170.562.20000111.5D506 S544 E545 V546D506-T542 WeakPolarHBondContact O-CA 3.36Å; D506-T542 WeakPolarHBondContact O-CB 3.46Å; T542-S544 PolarHBondContact O-N 3.32Å; T542-S544 VanDerWaalsContact O-N 3.12Å; T542-S544 PolarHBondContact OG1-OG 3.16Å; T542-S544 VanDerWaalsContact OG1-OG 3.12Å; T542-E545 PolarHBondContact N-OE2 3.21Å; T542-E545 PolarHBondContact O-N 3.17Å; T542-E545 VanDerWaalsContact OG1-CD 3.25Å; T542-E545 WeakPolarHBondContact OG1-CG 3.49Å; T542-E545 PolarHBondContact OG1-N 3.34Å; T542-E545 PolarHBondContact OG1-OE2 3.14Å; T542-V546 WeakPolarHBondContact O-CG2 3.44Å; T542-V546 PolarHBondContact O-N 3.15Å; T542-V546 VanDerWaalsContact O-N 3.14Å
543S84.3Confident81.4Confident55 Ų5558 Ų5839%0.38530%0.299SS..THydrogen-bonded Turntrans-53.4-34.7177.9-61.70000112.6D506D506-S543 PolarHBondContact O-N 3.14Å; D506-S543 PolarHBondContact OD1-OG 3.12Å; D506-S543 WeakPolarHBondContact OD2-CB 3.39Å; D506-S543 PolarHBondContact OD2-OG 3.38Å
544S82.5Confident81.2Confident85 Ų8557.9 Ų57.959%0.59429%0.292SS*.THydrogen-bonded Turntrans-73.5-31.5176.471.60000114.6T542 V546T542-S544 PolarHBondContact O-N 3.32Å; T542-S544 VanDerWaalsContact O-N 3.12Å; T542-S544 PolarHBondContact OG1-OG 3.16Å; T542-S544 VanDerWaalsContact OG1-OG 3.12Å; S544-V546 VanDerWaalsContact C-N 3.33Å
545E82.8Confident80.8Confident64 Ų6466.1 Ų66.130%0.29933%0.327SS..THydrogen-bonded Turntrans-81.2-16.3179.6-72.5167.2152.800112.3A478 C541 T542 E547 Q548 L549A478-E545 HydrophobicContact CB-CB 4.38Å; C541-E545 HydrophobicContact CB-CB 4.01Å; T542-E545 PolarHBondContact N-OE2 3.21Å; T542-E545 PolarHBondContact O-N 3.17Å; T542-E545 VanDerWaalsContact OG1-CD 3.25Å; T542-E545 WeakPolarHBondContact OG1-CG 3.49Å; T542-E545 PolarHBondContact OG1-N 3.34Å; T542-E545 PolarHBondContact OG1-OE2 3.14Å; E545-E547 PolarHBondContact O-N 3.48Å; E545-Q548 PolarHBondContact O-N 3.43Å; E545-L549 PolarHBondContact O-N 3.31Å
546V81.7Confident80.4Confident37 Ų3770.9 Ų70.922%0.22435%0.352CS..G310 helixtrans-51.5-46.3177.5177.70000109.5V508 V510 R518 T542 S544 Q548 L549V508-V546 HydrophobicContact CG2-CG2 3.59Å; V510-V546 HydrophobicContact CG2-CG2 4.22Å; R518-V546 PolarHBondContact NH1-O 3.08Å; T542-V546 WeakPolarHBondContact O-CG2 3.44Å; T542-V546 PolarHBondContact O-N 3.15Å; T542-V546 VanDerWaalsContact O-N 3.14Å; S544-V546 VanDerWaalsContact C-N 3.33Å; V546-Q548 VanDerWaalsContact C-N 3.29Å; V546-Q548 PolarHBondContact O-N 3.19Å; V546-L549 WeakPolarHBondContact O-CB 3.41Å; V546-L549 PolarHBondContact O-N 2.91Å
547E75.3Confident80.2Confident160 Ų16069.5 Ų69.575%0.74835%0.346SS*.G310 helixtrans-66.4-28.3-178.4-64-171.4169.400113.6E545 L549 V550E545-E547 PolarHBondContact O-N 3.48Å; E547-L549 VanDerWaalsContact C-N 3.31Å; E547-L549 PolarHBondContact O-N 2.71Å; E547-V550 WeakPolarHBondContact O-CG2 3.43Å; E547-V550 PolarHBondContact O-N 3.38Å
548Q73.6Confident80Confident149 Ų14969.3 Ų69.370%0.69635%0.347SS*.G310 helixtrans-76.5-20.4-177.7-59.8-179.814.900112.7E545 V546 V550E545-Q548 PolarHBondContact O-N 3.43Å; V546-Q548 VanDerWaalsContact C-N 3.29Å; V546-Q548 PolarHBondContact O-N 3.19Å; Q548-V550 PolarHBondContact O-N 2.8Å; Q548-V550 VanDerWaalsContact O-N 3.1Å
549L70.9Confident79.9Confident12 Ų1270 Ų706%0.06336%0.356CS..G310 helixtrans-65.1-8.9175.4-71.2170000113.6F539 C541 E545 V546 E547 Q551F539-L549 HydrophobicContact CB-CD1 4.27Å; F539-L549 HydrophobicContact CD1-CD2 4.06Å; C541-L549 HydrophobicContact CB-CD1 4.12Å; C541-L549 VanDerWaalsContact SG-CD1 3.56Å; E545-L549 PolarHBondContact O-N 3.31Å; V546-L549 WeakPolarHBondContact O-CB 3.41Å; V546-L549 PolarHBondContact O-N 2.91Å; E547-L549 VanDerWaalsContact C-N 3.31Å; E547-L549 PolarHBondContact O-N 2.71Å; L549-Q551 PolarHBondContact O-N 3.34Å
550V56.7Low80Confident88 Ų8871.4 Ų71.453%0.53336%0.364SS..G310 helixtrans-58-32-177.7176.70000113.2R518 E547 Q548 R552R518-V550 VanDerWaalsContact CZ-CA 3.46Å; R518-V550 VanDerWaalsContact NH1-CG2 3.28Å; E547-V550 WeakPolarHBondContact O-CG2 3.43Å; E547-V550 PolarHBondContact O-N 3.38Å; Q548-V550 PolarHBondContact O-N 2.8Å; Q548-V550 VanDerWaalsContact O-N 3.1Å; V550-R552 PolarHBondContact O-N 3.01Å
551Q57.8Low80Confident164 Ų16479 Ų7977%0.76640%0.4SS*.G310 helixtrans-91.7-1.9-165-63.1-173-3.900113.9L549L549-Q551 PolarHBondContact O-N 3.34Å
552R64.1Low79.9Confident181 Ų18186.7 Ų86.768%0.68344%0.436SS*.  trans-149.272.4-168.2-58.7-175-172.5-173.72.4115.1V550V550-R552 PolarHBondContact O-N 3.01Å
553P74.8Confident79.9Confident37 Ų3787.1 Ų87.124%0.2444%0.442CS..  trans-55.5142.2155.2-16.729.9000109.5
554L82.3Confident80.2Confident26 Ų2686.5 Ų86.514%0.13644%0.436CS..  trans-64.1149.6178.2-60.4165.6000109.9Y476 R537 F539 D556 Q557Y476-L554 HydrophobicContact CD1-CD1 3.7Å; Y476-L554 HydrophobicContact CD1-CD2 4.29Å; Y476-L554 HydrophobicContact CD2-CD1 3.87Å; Y476-L554 HydrophobicContact CE1-CD1 3.5Å; Y476-L554 HydrophobicContact CE1-CD2 4.4Å; Y476-L554 HydrophobicContact CE2-CD1 3.7Å; Y476-L554 HydrophobicContact CG-CD1 3.87Å; Y476-L554 VanDerWaalsContact CZ-CD1 3.49Å; R537-L554 HydrophobicContact CG-CD1 4.29Å; F539-L554 HydrophobicContact CZ-CD1 3.98Å; F539-L554 HydrophobicContact CZ-CG 4.08Å; L554-D556 PolarHBondContact O-N 2.84Å; L554-Q557 HydrophobicContact CB-CG 4.08Å; L554-Q557 WeakPolarHBondContact O-CB 3.3Å; L554-Q557 PolarHBondContact O-N 2.92Å
555K82.3Confident80.4Confident186 Ų18683 Ų8381%0.80941%0.411SS*.G310 helixtrans-54.5-42.6176.9-72-170.1176.1-172.70111.5Q557 Q558K555-Q557 PolarHBondContact O-N 3Å; K555-Q558 WeakPolarHBondContact O-CB 3.49Å; K555-Q558 PolarHBondContact O-N 2.73Å
556D83.9Confident80.6Confident119 Ų11984.2 Ų84.264%0.63642%0.419SS*.G310 helixtrans-63.8-24.8179.6-63.5-13.2000113.4L554 Q558L554-D556 PolarHBondContact O-N 2.84Å; D556-Q558 VanDerWaalsContact C-N 3.27Å; D556-Q558 PolarHBondContact O-N 2.66Å
557Q88.3Confident80.9Confident0 Ų085.5 Ų85.50%042%0.424CS..G310 helixtrans-74.3-17.7176-64.9-177.1-85.100112.8M512 S514 N535 R537 L554 K555 G559M512-Q557 PolarHBondContact O-NE2 2.85Å; S514-Q557 WeakPolarHBondContact CB-O 3.48Å; N535-Q557 HydrophobicContact CB-CB 4.44Å; N535-Q557 WeakPolarHBondContact CB-O 3.49Å; N535-Q557 VanDerWaalsContact O-CG 3.31Å; N535-Q557 WeakPolarHBondContact O-CG 3.49Å; N535-Q557 PolarHBondContact O-NE2 3.37Å; R537-Q557 HydrophobicContact CB-CG 4.49Å; R537-Q557 HydrophobicContact CG-CG 3.66Å; L554-Q557 HydrophobicContact CB-CG 4.08Å; L554-Q557 WeakPolarHBondContact O-CB 3.3Å; L554-Q557 PolarHBondContact O-N 2.92Å; K555-Q557 PolarHBondContact O-N 3Å; Q557-G559 PolarHBondContact O-N 3.45Å
558Q87.4Confident81.6Confident51 Ų5177.9 Ų77.924%0.23839%0.389CS..G310 helixtrans-76.4-5.1179.4-63.3-57.4-43.700113.2S514 K555 D556 K825S514-Q558 PolarHBondContact O-NE2 3.14Å; K555-Q558 WeakPolarHBondContact O-CB 3.49Å; K555-Q558 PolarHBondContact O-N 2.73Å; D556-Q558 VanDerWaalsContact C-N 3.27Å; D556-Q558 PolarHBondContact O-N 2.66Å; Q558-K825 PolarHBondContact O-NZ 3.38Å
559G90.3Very high82.3Confident18 Ų1875.2 Ų75.219%0.18638%0.376CS..  trans74.3-175.1-176.700000112.9Q557Q557-G559 PolarHBondContact O-N 3.45Å
560P93.6Very high83.1Confident28 Ų2879.7 Ų79.718%0.18240%0.397CS..  trans-65.6152-177.828.1-35.6000112.7T630 L634 K818 I820P560-T630 HydrophobicContact CG-CG2 3.79Å; P560-L634 HydrophobicContact CG-CD1 4.25Å; P560-K818 HydrophobicContact CG-CB 4.39Å; P560-I820 HydrophobicContact CG-CG1 4.33Å
561E89.8Confident84.8Confident170 Ų17075.8 Ų75.879%0.79437%0.373SS*.SBendtrans-99.4-21.2173.3-64.7-176.3171.200112.7
562Q88.9Confident86.4Confident163 Ų16370.3 Ų70.376%0.76235%0.353SS*.SBendtrans-117.9142.3-179.2-65.9-179.3-0.400110.9
563A87.1Confident87.9Confident36 Ų3662.2 Ų62.230%0.29832%0.324SS..  trans-73.2153.6175.400000111.7T565 L634A563-T565 WeakPolarHBondContact CB-OG1 3.32Å; A563-L634 HydrophobicContact CB-CB 3.68Å
564T91Very high88.8Confident42 Ų4266.5 Ų66.526%0.25834%0.339SS..  trans-102.124.6171.164.10000112.3D566 L567 I568 E631 Y813T564-D566 VanDerWaalsContact C-N 3.33Å; T564-D566 PolarHBondContact O-N 3.22Å; T564-L567 HydrophobicContact CG2-CD1 4.34Å; T564-L567 WeakPolarHBondContact O-CB 3.48Å; T564-L567 PolarHBondContact O-N 3.3Å; T564-I568 WeakPolarHBondContact O-CG1 3.48Å; T564-I568 PolarHBondContact O-N 3.34Å; T564-I568 VanDerWaalsContact O-N 3.09Å; T564-E631 PolarHBondContact N-OE1 3Å; T564-E631 PolarHBondContact N-OE2 3.33Å; T564-E631 PolarHBondContact OG1-OE1 3.15Å; T564-E631 PolarHBondContact OG1-OE2 2.99Å; T564-Y813 HydrophobicContact CG2-CE2 4.46Å; T564-Y813 PolarHBondContact OG1-OH 3.35Å
565T86.1Confident89.4Confident13 Ų1368.6 Ų68.68%0.0835%0.35CS..Hα-helixtrans-54.2-43.5-172.8-53.20000113.4A563 L567 I568 E569 E631 L644A563-T565 WeakPolarHBondContact CB-OG1 3.32Å; T565-L567 VanDerWaalsContact C-N 3.29Å; T565-L567 PolarHBondContact O-N 3.12Å; T565-I568 PolarHBondContact O-N 3.16Å; T565-E569 WeakPolarHBondContact O-CB 3.29Å; T565-E569 PolarHBondContact O-N 3.43Å; T565-E631 PolarHBondContact N-OE2 2.82Å; T565-L644 HydrophobicContact CG2-CD2 4.08Å
566D87.2Confident90Very high89 Ų8959.7 Ų59.748%0.47631%0.311SS..Hα-helixtrans-66.3-31.3-178.6-61.7-38.2000112T564 Q570 K640T564-D566 VanDerWaalsContact C-N 3.33Å; T564-D566 PolarHBondContact O-N 3.22Å; D566-Q570 WeakPolarHBondContact O-CG 3.25Å; D566-Q570 PolarHBondContact O-N 3.2Å; D566-Q570 PolarHBondContact O-NE2 3.39Å; D566-K640 IonicContact OD1-NZ 3.29Å; D566-K640 PolarHBondContact OD1-NZ 3.1Å
567L88.2Confident90.6Very high63 Ų6354 Ų5433%0.3328%0.281SS..Hα-helixtrans-70.3-46.8173.5-70.9163000110.8T564 T565 E569 Q570 M571 L804T564-L567 HydrophobicContact CG2-CD1 4.34Å; T564-L567 WeakPolarHBondContact O-CB 3.48Å; T564-L567 PolarHBondContact O-N 3.3Å; T565-L567 VanDerWaalsContact C-N 3.29Å; T565-L567 PolarHBondContact O-N 3.12Å; L567-E569 VanDerWaalsContact C-N 3.26Å; L567-E569 PolarHBondContact O-N 3.01Å; L567-Q570 PolarHBondContact O-N 2.91Å; L567-M571 WeakPolarHBondContact O-CG 3.45Å; L567-M571 PolarHBondContact O-N 3.4Å; L567-L804 HydrophobicContact CD2-CD1 3.96Å; L567-L804 HydrophobicContact CD2-CD2 3.61Å; L567-L804 HydrophobicContact CD2-CG 4.45Å
568I89.9Confident90.9Very high0 Ų054.8 Ų54.80%029%0.286CS..Hα-helixtrans-61-39.8178.5-60.7170.8000110T564 T565 Q570 M571 I576 W627 E631 L644 K647 Y813T564-I568 WeakPolarHBondContact O-CG1 3.48Å; T564-I568 PolarHBondContact O-N 3.34Å; T564-I568 VanDerWaalsContact O-N 3.09Å; T565-I568 PolarHBondContact O-N 3.16Å; I568-Q570 VanDerWaalsContact C-N 3.32Å; I568-Q570 PolarHBondContact O-N 3.47Å; I568-M571 PolarHBondContact O-N 3.48Å; I568-I576 HydrophobicContact CG2-CD1 4.21Å; I568-W627 HydrophobicContact CD1-CZ2 4.09Å; I568-W627 HydrophobicContact CG1-CZ2 4.45Å; I568-E631 HydrophobicContact CD1-CB 4.27Å; I568-E631 HydrophobicContact CD1-CG 3.62Å; I568-L644 HydrophobicContact CB-CD1 4.46Å; I568-L644 HydrophobicContact CD1-CD1 4.29Å; I568-L644 HydrophobicContact CG2-CD1 3.95Å; I568-K647 HydrophobicContact CG2-CD 4.06Å; I568-K647 WeakPolarHBondContact O-CE 3.42Å; I568-K647 PolarHBondContact O-NZ 3.25Å; I568-Y813 VanDerWaalsContact CD1-OH 3.32Å; I568-Y813 WeakPolarHBondContact CD1-OH 3.17Å; I568-Y813 HydrophobicContact CG1-CE1 4.34Å; I568-Y813 VanDerWaalsContact CG1-OH 3.25Å; I568-Y813 WeakPolarHBondContact CG1-OH 2.97Å
569E87.7Confident91.2Very high93 Ų9352.7 Ų52.744%0.43528%0.276SS..Hα-helixtrans-59.5-40.7180-171.4169.5-169.400112.3T565 L567 M571 K647T565-E569 WeakPolarHBondContact O-CB 3.29Å; T565-E569 PolarHBondContact O-N 3.43Å; L567-E569 VanDerWaalsContact C-N 3.26Å; L567-E569 PolarHBondContact O-N 3.01Å; E569-M571 PolarHBondContact O-N 3.02Å; E569-K647 PolarHBondContact O-NZ 3.49Å
570Q88.4Confident91.4Very high106 Ų10651.9 Ų51.950%0.49527%0.267SS..Hα-helixtrans-70.9-25.8-178.8-67.5173.433.400114.3D566 L567 I568 L804D566-Q570 WeakPolarHBondContact O-CG 3.25Å; D566-Q570 PolarHBondContact O-N 3.2Å; D566-Q570 PolarHBondContact O-NE2 3.39Å; L567-Q570 PolarHBondContact O-N 2.91Å; I568-Q570 VanDerWaalsContact C-N 3.32Å; I568-Q570 PolarHBondContact O-N 3.47Å; Q570-L804 VanDerWaalsContact OE1-CD1 3.23Å
571M91.3Very high91.5Very high7 Ų750.5 Ų50.53%0.03426%0.259CS..SBendtrans-84.1143.2179.6-62.3175.2-171.800111.2L567 I568 E569 I576 K647 I810 Y813L567-M571 WeakPolarHBondContact O-CG 3.45Å; L567-M571 PolarHBondContact O-N 3.4Å; I568-M571 PolarHBondContact O-N 3.48Å; E569-M571 PolarHBondContact O-N 3.02Å; M571-I576 HydrophobicContact CB-CD1 3.88Å; M571-I576 HydrophobicContact CB-CG1 3.9Å; M571-I576 HydrophobicContact SD-CG1 4.4Å; M571-K647 VanDerWaalsContact O-CE 3.29Å; M571-K647 WeakPolarHBondContact O-CE 3.1Å; M571-K647 PolarHBondContact O-NZ 3.4Å; M571-I810 HydrophobicContact CB-CD1 4.36Å; M571-I810 HydrophobicContact CE-CG1 4.39Å; M571-I810 HydrophobicContact CG-CD1 4.26Å; M571-I810 HydrophobicContact CG-CG1 4Å; M571-I810 HydrophobicContact SD-CB 4.42Å; M571-I810 HydrophobicContact SD-CG1 3.89Å; M571-I810 HydrophobicContact SD-CG2 4.28Å; M571-Y813 HydrophobicContact CE-CD1 4.48Å; M571-Y813 HydrophobicContact CE-CG 4.19Å; M571-Y813 HydrophobicContact SD-CD1 4.33Å
572S92.8Very high91.7Very high49 Ų4943 Ų4334%0.34322%0.224SC..  trans-75.414517794.60000111.4K574 D575 I576S572-K574 PolarHBondContact O-N 3.14Å; S572-K574 PolarHBondContact OG-N 2.83Å; S572-D575 VanDerWaalsContact CB-OD2 3.26Å; S572-D575 WeakPolarHBondContact CB-OD2 3.37Å; S572-D575 PolarHBondContact O-N 2.98Å; S572-D575 VanDerWaalsContact O-N 3.15Å; S572-D575 PolarHBondContact OG-N 3.33Å; S572-D575 PolarHBondContact OG-OD2 3.02Å; S572-I576 WeakPolarHBondContact O-CG1 3.5Å; S572-I576 PolarHBondContact O-N 3.49Å
573S94.9Very high91.9Very high10 Ų1036.3 Ų36.37%0.0719%0.192CC..Hα-helixtrans-58.2-30.2175.8-56.80000112.7A577S573-A577 VanDerWaalsContact O-CB 3.3Å; S573-A577 WeakPolarHBondContact O-CB 3.5Å; S573-A577 PolarHBondContact O-N 3.4Å; S573-A577 VanDerWaalsContact O-N 3.11Å
574K94.2Very high92.3Very high128 Ų12834.6 Ų34.656%0.55718%0.177SC*.Hα-helixtrans-72.5-41.1178.4-175179.4178.5-179.60111.2S572 A577 T578 V654S572-K574 PolarHBondContact O-N 3.14Å; S572-K574 PolarHBondContact OG-N 2.83Å; K574-A577 PolarHBondContact O-N 3.34Å; K574-T578 VanDerWaalsContact O-CB 3.28Å; K574-T578 WeakPolarHBondContact O-CB 3.29Å; K574-T578 PolarHBondContact O-N 3.46Å; K574-T578 PolarHBondContact O-OG1 2.9Å; K574-V654 HydrophobicContact CG-CG1 4.34Å
575D93.2Very high92.4Very high69 Ų6933.3 Ų33.337%0.36917%0.168SC..Hα-helixtrans-69.8-41.9-180-58.1-36.7000111S572 T578 E579 I810S572-D575 VanDerWaalsContact CB-OD2 3.26Å; S572-D575 WeakPolarHBondContact CB-OD2 3.37Å; S572-D575 PolarHBondContact O-N 2.98Å; S572-D575 VanDerWaalsContact O-N 3.15Å; S572-D575 PolarHBondContact OG-N 3.33Å; S572-D575 PolarHBondContact OG-OD2 3.02Å; D575-T578 PolarHBondContact O-N 2.89Å; D575-E579 PolarHBondContact O-N 2.81Å; D575-I810 HydrophobicContact CB-CD1 3.51Å
576I95.4Very high92.6Very high0 Ų034.5 Ų34.50%017%0.173CC..Hα-helixtrans-58.3-50.9173.1-63.9169.7000110.4I568 M571 S572 T578 E579 L580 W627 I651 I810 I814I568-I576 HydrophobicContact CG2-CD1 4.21Å; M571-I576 HydrophobicContact CB-CD1 3.88Å; M571-I576 HydrophobicContact CB-CG1 3.9Å; M571-I576 HydrophobicContact SD-CG1 4.4Å; S572-I576 WeakPolarHBondContact O-CG1 3.5Å; S572-I576 PolarHBondContact O-N 3.49Å; I576-T578 VanDerWaalsContact C-N 3.32Å; I576-T578 PolarHBondContact O-N 3.05Å; I576-E579 PolarHBondContact O-N 2.98Å; I576-L580 HydrophobicContact CG2-CD1 3.94Å; I576-L580 HydrophobicContact CG2-CG 4.45Å; I576-L580 WeakPolarHBondContact O-CB 3.48Å; I576-L580 WeakPolarHBondContact O-CG 3.46Å; I576-L580 PolarHBondContact O-N 2.77Å; I576-W627 HydrophobicContact CG2-CH2 3.99Å; I576-I651 HydrophobicContact CB-CD1 4.39Å; I576-I651 HydrophobicContact CD1-CD1 4.02Å; I576-I651 HydrophobicContact CG2-CD1 4.02Å; I576-I651 HydrophobicContact CG2-CG1 4.46Å; I576-I651 HydrophobicContact CG2-CG2 4.49Å; I576-I810 HydrophobicContact CG1-CG2 4.4Å; I576-I814 HydrophobicContact CG2-CD1 4.48Å
577A96.7Very high92.8Very high0 Ų030.5 Ų30.50%015%0.151CC..Hα-helixtrans-62-40179.400000112.2S573 K574 L580 T581 I651 V654 L655 Q658S573-A577 VanDerWaalsContact O-CB 3.3Å; S573-A577 WeakPolarHBondContact O-CB 3.5Å; S573-A577 PolarHBondContact O-N 3.4Å; S573-A577 VanDerWaalsContact O-N 3.11Å; K574-A577 PolarHBondContact O-N 3.34Å; A577-L580 PolarHBondContact O-N 2.76Å; A577-T581 WeakPolarHBondContact O-CB 3.3Å; A577-T581 PolarHBondContact O-N 2.94Å; A577-T581 PolarHBondContact O-OG1 2.81Å; A577-I651 HydrophobicContact CB-CG2 4.34Å; A577-V654 HydrophobicContact CB-CB 3.72Å; A577-V654 HydrophobicContact CB-CG1 3.55Å; A577-L655 HydrophobicContact CB-CD2 3.96Å; A577-L655 HydrophobicContact CB-CG 3.94Å; A577-Q658 PolarHBondContact O-OE1 3.3Å
578T94.4Very high93.1Very high15 Ų1527.5 Ų27.59%0.09214%0.135CC..Hα-helixtrans-65-44.5178.4-580000111.5K574 D575 I576 T581 N582 Q658K574-T578 VanDerWaalsContact O-CB 3.28Å; K574-T578 WeakPolarHBondContact O-CB 3.29Å; K574-T578 PolarHBondContact O-N 3.46Å; K574-T578 PolarHBondContact O-OG1 2.9Å; D575-T578 PolarHBondContact O-N 2.89Å; I576-T578 VanDerWaalsContact C-N 3.32Å; I576-T578 PolarHBondContact O-N 3.05Å; T578-T581 PolarHBondContact O-N 3.47Å; T578-N582 WeakPolarHBondContact O-CB 3.39Å; T578-N582 PolarHBondContact O-N 3.14Å; T578-N582 PolarHBondContact O-ND2 2.65Å; T578-N582 PolarHBondContact O-OD1 3.47Å; T578-Q658 PolarHBondContact OG1-NE2 3.04Å
579E93.5Very high93Very high8 Ų831 Ų314%0.03716%0.157CC..Hα-helixtrans-71.7-33.3177.7-70.5-54.9126.500112.7D575 I576 N582 Y583 R779 I810 R811 I814D575-E579 PolarHBondContact O-N 2.81Å; I576-E579 PolarHBondContact O-N 2.98Å; E579-N582 PolarHBondContact O-N 3.37Å; E579-N582 PolarHBondContact OE1-ND2 3.07Å; E579-N582 VanDerWaalsContact OE1-ND2 3.11Å; E579-Y583 WeakPolarHBondContact O-CB 3.36Å; E579-Y583 PolarHBondContact O-N 2.91Å; E579-R779 IonicContact OE1-CZ 3.41Å; E579-R779 IonicContact OE1-NH1 2.6Å; E579-R779 PolarHBondContact OE1-NH1 3.49Å; E579-R779 IonicContact OE1-NH2 3.71Å; E579-R779 PolarHBondContact OE1-NH2 2.84Å; E579-R779 IonicContact OE2-NH2 2.91Å; E579-I810 HydrophobicContact CB-CG2 4.06Å; E579-I810 HydrophobicContact CG-CB 4.29Å; E579-I810 HydrophobicContact CG-CG2 3.96Å; E579-R811 WeakPolarHBondContact OE2-CB 3.35Å; E579-I814 HydrophobicContact CB-CD1 3.41Å; E579-I814 VanDerWaalsContact CB-CD1 3.41Å
580L95.9Very high93.1Very high0 Ų027.1 Ų27.10%014%0.141CC..Hα-helixtrans-59.5-49168.8-80.2169.2000110.6I576 A577 N582 Y583 D584 V624 W627 I651 L655 I814I576-L580 HydrophobicContact CG2-CD1 3.94Å; I576-L580 HydrophobicContact CG2-CG 4.45Å; I576-L580 WeakPolarHBondContact O-CB 3.48Å; I576-L580 WeakPolarHBondContact O-CG 3.46Å; I576-L580 PolarHBondContact O-N 2.77Å; A577-L580 PolarHBondContact O-N 2.76Å; L580-N582 PolarHBondContact O-N 3.4Å; L580-Y583 PolarHBondContact O-N 2.9Å; L580-D584 WeakPolarHBondContact O-CB 3.34Å; L580-D584 PolarHBondContact O-N 3.14Å; L580-V624 HydrophobicContact CD2-CG2 3.88Å; L580-W627 HydrophobicContact CD1-CZ3 4.37Å; L580-I651 HydrophobicContact CD1-CG2 4.29Å; L580-L655 HydrophobicContact CB-CD2 4.13Å; L580-L655 HydrophobicContact CD1-CD1 4.36Å; L580-I814 HydrophobicContact CD2-CD1 4.47Å; L580-I814 HydrophobicContact CD2-CG1 4.38Å; L580-I814 HydrophobicContact CD2-CG2 3.67Å; L580-I814 HydrophobicContact CG-CD1 4.02Å; L580-I814 HydrophobicContact CG-CG1 4.4Å; L580-I814 HydrophobicContact CG-CG2 4.33Å
581T95.8Very high93.2Very high0 Ų022.1 Ų22.10%012%0.117CC..Hα-helixtrans-63.2-41.7178.1-60.90000112.6A577 T578 D584 W585 L655 Q658 N660 Y772A577-T581 WeakPolarHBondContact O-CB 3.3Å; A577-T581 PolarHBondContact O-N 2.94Å; A577-T581 PolarHBondContact O-OG1 2.81Å; T578-T581 PolarHBondContact O-N 3.47Å; T581-D584 PolarHBondContact O-N 2.98Å; T581-W585 WeakPolarHBondContact O-CB 3.28Å; T581-W585 PolarHBondContact O-N 2.98Å; T581-L655 WeakPolarHBondContact OG1-CD2 3.37Å; T581-Q658 HydrophobicContact CG2-CB 4.44Å; T581-Q658 PolarHBondContact OG1-OE1 3.07Å; T581-N660 VanDerWaalsContact CA-ND2 3.33Å; T581-N660 WeakPolarHBondContact CA-ND2 3.39Å; T581-N660 HydrophobicContact CG2-CB 4Å; T581-N660 WeakPolarHBondContact OG1-CB 3.26Å; T581-N660 PolarHBondContact OG1-ND2 2.87Å; T581-N660 VanDerWaalsContact OG1-ND2 3.15Å; T581-Y772 HydrophobicContact CG2-CE2 4.09Å
582N92.4Very high93.2Very high12 Ų1223.7 Ų23.76%0.06413%0.125CC..Hα-helixtrans-61.5-45.8175.7-66.8-23.1000111.1T578 E579 L580 W585 E586 Y772 R779T578-N582 WeakPolarHBondContact O-CB 3.39Å; T578-N582 PolarHBondContact O-N 3.14Å; T578-N582 PolarHBondContact O-ND2 2.65Å; T578-N582 PolarHBondContact O-OD1 3.47Å; E579-N582 PolarHBondContact O-N 3.37Å; E579-N582 PolarHBondContact OE1-ND2 3.07Å; E579-N582 VanDerWaalsContact OE1-ND2 3.11Å; L580-N582 PolarHBondContact O-N 3.4Å; N582-W585 PolarHBondContact O-N 3.34Å; N582-E586 WeakPolarHBondContact O-CG 3.49Å; N582-E586 PolarHBondContact O-N 3.24Å; N582-E586 VanDerWaalsContact O-N 3.08Å; N582-Y772 WeakPolarHBondContact OD1-CE1 3.2Å; N582-Y772 PolarHBondContact OD1-OH 3.34Å; N582-R779 PolarHBondContact ND2-NH1 3.3Å; N582-R779 VanDerWaalsContact ND2-NH1 3.14Å
583Y93.3Very high93Very high22 Ų2221.9 Ų21.99%0.08611%0.111CC..Hα-helixtrans-67.6-41.3179.8-171.8-122.4000112.2L462 E579 L580 W585 E586 L587 R616 H620 I814 Q815L462-Y583 HydrophobicContact CD1-CD2 4.16Å; L462-Y583 HydrophobicContact CD1-CE2 3.66Å; E579-Y583 WeakPolarHBondContact O-CB 3.36Å; E579-Y583 PolarHBondContact O-N 2.91Å; L580-Y583 PolarHBondContact O-N 2.9Å; Y583-W585 VanDerWaalsContact C-N 3.33Å; Y583-W585 PolarHBondContact O-N 3.19Å; Y583-E586 WeakPolarHBondContact O-CB 3.21Å; Y583-E586 PolarHBondContact O-N 3.37Å; Y583-L587 HydrophobicContact CD1-CD1 4.06Å; Y583-L587 HydrophobicContact CE1-CD1 3.71Å; Y583-L587 HydrophobicContact CE1-CG 4.33Å; Y583-L587 HydrophobicContact CE2-CD2 4.46Å; Y583-L587 HydrophobicContact CE2-CG 4.5Å; Y583-L587 WeakPolarHBondContact O-CG 3.34Å; Y583-L587 PolarHBondContact O-N 3.24Å; Y583-R616 PolarHBondContact OH-NH2 3.32Å; Y583-H620 AromaticContact CD1-CE1 3.49Å; Y583-H620 VanDerWaalsContact CD1-CE1 3.49Å; Y583-H620 WeakPolarHBondContact CD1-CE1 3.24Å; Y583-H620 AromaticContact CD1-ND1 3.93Å; Y583-H620 AromaticContact CD1-NE2 3.62Å; Y583-H620 AromaticContact CE1-CE1 3.58Å; Y583-H620 AromaticContact CE1-ND1 3.57Å; Y583-I814 HydrophobicContact CD1-CG2 4.34Å; Y583-Q815 HydrophobicContact CD2-CG 3.94Å; Y583-Q815 HydrophobicContact CE1-CG 4.46Å; Y583-Q815 HydrophobicContact CE2-CG 3.68Å; Y583-Q815 HydrophobicContact CG-CG 4.41Å
584D95.4Very high92.8Very high0 Ų021.4 Ų21.40%011%0.108CC..Hα-helixtrans-60-41.4173.9-81.7-34.5000112.1L580 T581 L587 F588 F617 H620 N660 S663 I722L580-D584 WeakPolarHBondContact O-CB 3.34Å; L580-D584 PolarHBondContact O-N 3.14Å; T581-D584 PolarHBondContact O-N 2.98Å; D584-L587 PolarHBondContact O-N 2.95Å; D584-F588 WeakPolarHBondContact O-CB 3.44Å; D584-F588 PolarHBondContact O-N 2.72Å; D584-F617 HydrophobicContact CB-CE2 4.2Å; D584-H620 IonicContact OD1-CD2 2.79Å; D584-H620 PolarHBondContact OD1-CD2 2.89Å; D584-H620 IonicContact OD1-NE2 3.76Å; D584-N660 PolarHBondContact OD2-ND2 2.72Å; D584-N660 PolarHBondContact OD2-OD1 2.69Å; D584-S663 VanDerWaalsContact OD2-CB 3.25Å; D584-S663 WeakPolarHBondContact OD2-CB 3.47Å; D584-S663 PolarHBondContact OD2-OG 2.77Å; D584-I722 HydrophobicContact CB-CD1 3.52Å
585W93.1Very high92.8Very high15 Ų1515.6 Ų15.66%0.0578%0.082CC..Hα-helixtrans-64.4-38.2175.1-88.6112.6000112.7T581 N582 Y583 F588 T589 P720 I722 R768 Y772T581-W585 WeakPolarHBondContact O-CB 3.28Å; T581-W585 PolarHBondContact O-N 2.98Å; N582-W585 PolarHBondContact O-N 3.34Å; Y583-W585 VanDerWaalsContact C-N 3.33Å; Y583-W585 PolarHBondContact O-N 3.19Å; W585-F588 AromaticContact CE3-CD1 3.98Å; W585-F588 HydrophobicContact CE3-CD1 3.98Å; W585-F588 HydrophobicContact CH2-CD1 4.38Å; W585-F588 HydrophobicContact CH2-CE1 4.45Å; W585-F588 AromaticContact CZ3-CD1 3.75Å; W585-F588 HydrophobicContact CZ3-CD1 3.75Å; W585-F588 HydrophobicContact CZ3-CE1 4.11Å; W585-F588 PolarHBondContact O-N 3.39Å; W585-T589 VanDerWaalsContact O-CB 3.23Å; W585-T589 WeakPolarHBondContact O-CB 3.39Å; W585-T589 PolarHBondContact O-N 2.88Å; W585-T589 PolarHBondContact O-OG1 3.34Å; W585-P720 HydrophobicContact CH2-CB 3.73Å; W585-P720 HydrophobicContact CZ2-CB 3.78Å; W585-I722 HydrophobicContact CD2-CD1 3.96Å; W585-I722 HydrophobicContact CD2-CG1 4Å; W585-I722 HydrophobicContact CG-CD1 3.87Å; W585-I722 HydrophobicContact CG-CG1 4.41Å; W585-I722 HydrophobicContact CH2-CG1 4.35Å; W585-I722 HydrophobicContact CZ2-CG1 3.77Å; W585-R768 HydrophobicContact CH2-CB 4.36Å; W585-R768 HydrophobicContact CZ3-CB 3.84Å; W585-Y772 HydrophobicContact CB-CD1 4.11Å; W585-Y772 AromaticContact CD1-CD1 3.35Å; W585-Y772 AromaticContact CD1-CD2 3.7Å; W585-Y772 AromaticContact CD1-CE1 3.57Å; W585-Y772 AromaticContact CD1-CE2 3.92Å; W585-Y772 AromaticContact CD1-CG 3.41Å; W585-Y772 VanDerWaalsContact CD1-CG 3.41Å; W585-Y772 AromaticContact CD1-CZ 3.86Å; W585-Y772 HydrophobicContact CD2-CD1 4.3Å; W585-Y772 AromaticContact CD2-CG 3.99Å; W585-Y772 HydrophobicContact CD2-CG 3.99Å; W585-Y772 AromaticContact CE2-CD2 3.96Å; W585-Y772 AromaticContact CE2-CG 3.76Å; W585-Y772 AromaticContact CG-CD1 3.67Å; W585-Y772 HydrophobicContact CG-CD1 3.67Å; W585-Y772 HydrophobicContact CG-CD2 4.49Å; W585-Y772 HydrophobicContact CG-CE1 4.22Å; W585-Y772 AromaticContact CG-CG 3.82Å; W585-Y772 HydrophobicContact CG-CG 3.82Å; W585-Y772 AromaticContact NE1-CD1 3.84Å; W585-Y772 AromaticContact NE1-CD2 3.31Å; W585-Y772 VanDerWaalsContact NE1-CD2 3.31Å; W585-Y772 AromaticContact NE1-CE2 3.75Å; W585-Y772 AromaticContact NE1-CG 3.36Å
586E91Very high92.7Very high39 Ų3912.4 Ų12.418%0.1827%0.065CC..Hα-helixtrans-60.9-47173.9-72.1175.616800110.8L462 N582 Y583 A590 R811L462-E586 HydrophobicContact CB-CB 4.29Å; L462-E586 HydrophobicContact CD1-CB 4.01Å; L462-E586 WeakPolarHBondContact CD1-OE2 3.35Å; N582-E586 WeakPolarHBondContact O-CG 3.49Å; N582-E586 PolarHBondContact O-N 3.24Å; N582-E586 VanDerWaalsContact O-N 3.08Å; Y583-E586 WeakPolarHBondContact O-CB 3.21Å; Y583-E586 PolarHBondContact O-N 3.37Å; E586-A590 VanDerWaalsContact O-CB 3.3Å; E586-A590 WeakPolarHBondContact O-CB 3.25Å; E586-A590 PolarHBondContact O-N 3.42Å; E586-R811 IonicContact OE1-CZ 3.47Å; E586-R811 IonicContact OE1-NH1 2.98Å; E586-R811 IonicContact OE1-NH2 2.75Å; E586-R811 PolarHBondContact OE1-NH2 3.43Å; E586-R811 IonicContact OE2-CZ 2.64Å; E586-R811 IonicContact OE2-NH2 2.74Å; E586-R811 PolarHBondContact OE2-NH2 3.09Å
587L92.1Very high92.6Very high4 Ų412.5 Ų12.52%0.0217%0.066CC..Hα-helixtrans-66-43.3177.4-64.1179.4000112.4Y583 D584 T589 A590 M591 R616 F617 H620Y583-L587 HydrophobicContact CD1-CD1 4.06Å; Y583-L587 HydrophobicContact CE1-CD1 3.71Å; Y583-L587 HydrophobicContact CE1-CG 4.33Å; Y583-L587 HydrophobicContact CE2-CD2 4.46Å; Y583-L587 HydrophobicContact CE2-CG 4.5Å; Y583-L587 WeakPolarHBondContact O-CG 3.34Å; Y583-L587 PolarHBondContact O-N 3.24Å; D584-L587 PolarHBondContact O-N 2.95Å; L587-T589 VanDerWaalsContact C-N 3.35Å; L587-T589 PolarHBondContact O-N 3.25Å; L587-A590 PolarHBondContact O-N 3.22Å; L587-M591 PolarHBondContact O-N 3.46Å; L587-R616 HydrophobicContact CD2-CG 3.97Å; L587-R616 VanDerWaalsContact CD2-NE 3.34Å; L587-F617 HydrophobicContact CB-CB 4.29Å; L587-F617 HydrophobicContact CB-CD2 3.66Å; L587-F617 HydrophobicContact CB-CE2 4.4Å; L587-F617 HydrophobicContact CB-CG 4.29Å; L587-F617 HydrophobicContact CD1-CD2 4.2Å; L587-H620 HydrophobicContact CD1-CB 3.7Å
588F92.9Very high92.3Very high0 Ų013.1 Ų13.10%07%0.068CC..Hα-helixtrans-69.7-31.8-177.8-174-130.3000112.9D584 W585 M591 F617 I722 P723 M725 V764 C767 R768D584-F588 WeakPolarHBondContact O-CB 3.44Å; D584-F588 PolarHBondContact O-N 2.72Å; W585-F588 AromaticContact CE3-CD1 3.98Å; W585-F588 HydrophobicContact CE3-CD1 3.98Å; W585-F588 HydrophobicContact CH2-CD1 4.38Å; W585-F588 HydrophobicContact CH2-CE1 4.45Å; W585-F588 AromaticContact CZ3-CD1 3.75Å; W585-F588 HydrophobicContact CZ3-CD1 3.75Å; W585-F588 HydrophobicContact CZ3-CE1 4.11Å; W585-F588 PolarHBondContact O-N 3.39Å; F588-M591 HydrophobicContact CD2-CE 3.99Å; F588-M591 HydrophobicContact CE2-CE 3.91Å; F588-F617 HydrophobicContact CB-CE1 4.09Å; F588-F617 HydrophobicContact CB-CE2 4.3Å; F588-F617 HydrophobicContact CB-CZ 3.94Å; F588-F617 HydrophobicContact CD2-CD1 4.13Å; F588-F617 AromaticContact CD2-CE1 3.48Å; F588-F617 HydrophobicContact CD2-CE1 3.48Å; F588-F617 VanDerWaalsContact CD2-CE1 3.48Å; F588-F617 HydrophobicContact CD2-CZ 4.06Å; F588-F617 HydrophobicContact CE2-CE1 4.23Å; F588-F617 HydrophobicContact CG-CE1 4.1Å; F588-F617 HydrophobicContact CG-CZ 4.23Å; F588-I722 HydrophobicContact CD1-CG1 4.38Å; F588-I722 HydrophobicContact CD1-CG2 4.48Å; F588-P723 HydrophobicContact CZ-CG 4.3Å; F588-M725 HydrophobicContact CE2-SD 4.01Å; F588-V764 HydrophobicContact CE2-CG1 3.61Å; F588-V764 HydrophobicContact CZ-CG1 3.7Å; F588-C767 HydrophobicContact CE1-CB 4.27Å; F588-C767 HydrophobicContact CZ-CB 4.22Å; F588-R768 HydrophobicContact CE1-CB 4Å; F588-R768 PolarHBondContact O-NH1 3.28Å
589T89.2Confident92.1Very high74 Ų7417 Ų1745%0.4548%0.082SC..Hα-helixtrans-78.7-35175.2-53.10000111.5W585 L587 M591W585-T589 VanDerWaalsContact O-CB 3.23Å; W585-T589 WeakPolarHBondContact O-CB 3.39Å; W585-T589 PolarHBondContact O-N 2.88Å; W585-T589 PolarHBondContact O-OG1 3.34Å; L587-T589 VanDerWaalsContact C-N 3.35Å; L587-T589 PolarHBondContact O-N 3.25Å; T589-M591 PolarHBondContact O-N 3.06Å
590A88.8Confident92Very high11 Ų1117.5 Ų17.59%0.0919%0.085CC..Hα-helixtrans-65.6-27.3175.600000113P464 E586 L587 H592P464-A590 HydrophobicContact CG-CB 4.41Å; E586-A590 VanDerWaalsContact O-CB 3.3Å; E586-A590 WeakPolarHBondContact O-CB 3.25Å; E586-A590 PolarHBondContact O-N 3.42Å; L587-A590 PolarHBondContact O-N 3.22Å; A590-H592 PolarHBondContact O-N 3.41Å
591M91.1Very high91.7Very high1 Ų117.9 Ų17.91%0.0059%0.086CC..SBendtrans-69.7123.6177.3-177-165.96800112.3L587 F588 T589 L596 N613 L614 M725 V764 R768L587-M591 PolarHBondContact O-N 3.46Å; F588-M591 HydrophobicContact CD2-CE 3.99Å; F588-M591 HydrophobicContact CE2-CE 3.91Å; T589-M591 PolarHBondContact O-N 3.06Å; M591-L596 HydrophobicContact SD-CD2 4.33Å; M591-N613 HydrophobicContact CB-CB 4.17Å; M591-L614 HydrophobicContact CG-CB 3.96Å; M591-L614 HydrophobicContact SD-CB 3.91Å; M591-L614 HydrophobicContact SD-CD1 3.49Å; M591-L614 WeakPolarHBondContact SD-CD1 3.18Å; M591-L614 HydrophobicContact SD-CG 4.24Å; M591-M725 HydrophobicContact CE-CE 4.33Å; M591-M725 HydrophobicContact SD-CE 4.31Å; M591-V764 HydrophobicContact CE-CG1 3.85Å; M591-R768 PolarHBondContact O-NH1 3.05Å
592H90.3Very high91.2Very high41 Ų4118.7 Ų18.719%0.1910%0.095CC..  trans-79.1142.6170.4-160.4-82.5000111L390 L394 A590 V594 E595L390-H592 PolarHBondContact O-CE1 3.45Å; L390-H592 PolarHBondContact O-NE2 2.88Å; L394-H592 HydrophobicContact CD1-CB 3.83Å; L394-H592 VanDerWaalsContact CD1-CD2 3.41Å; L394-H592 WeakPolarHBondContact CD1-CD2 3.25Å; A590-H592 PolarHBondContact O-N 3.41Å; H592-V594 VanDerWaalsContact C-N 3.28Å; H592-V594 HydrophobicContact CB-CG2 4.46Å; H592-V594 WeakPolarHBondContact ND1-CG2 3.34Å; H592-V594 PolarHBondContact ND1-N 3.39Å; H592-V594 PolarHBondContact O-N 3.14Å; H592-E595 HydrophobicContact CB-CG 4.15Å; H592-E595 PolarHBondContact N-OE1 2.91Å; H592-E595 VanDerWaalsContact O-CB 3.27Å; H592-E595 WeakPolarHBondContact O-CB 3.37Å; H592-E595 WeakPolarHBondContact O-CG 3.17Å; H592-E595 PolarHBondContact O-N 3.49Å; H592-E595 VanDerWaalsContact O-N 3.07Å
593E89.8Confident90.8Very high10 Ų1020.4 Ų20.45%0.04710%0.1CC..THydrogen-bonded Turntrans-66.2-28-17460-177.2-163.900114L338 L390 E595 L596 V761 R765L338-E593 HydrophobicContact CD2-CG 4.1Å; L390-E593 WeakPolarHBondContact CG-OE1 3.25Å; E593-E595 VanDerWaalsContact C-N 3.25Å; E593-E595 PolarHBondContact O-N 2.97Å; E593-L596 WeakPolarHBondContact O-CB 3.36Å; E593-L596 PolarHBondContact O-N 3.42Å; E593-V761 HydrophobicContact CB-CG1 3.69Å; E593-V761 HydrophobicContact CG-CG1 4.27Å; E593-R765 VanDerWaalsContact CD-NH2 3.29Å; E593-R765 IonicContact OE1-CZ 2.84Å; E593-R765 IonicContact OE1-NE 3.73Å; E593-R765 PolarHBondContact OE1-NE 2.93Å; E593-R765 IonicContact OE1-NH2 3.15Å; E593-R765 PolarHBondContact OE1-NH2 3.34Å; E593-R765 IonicContact OE2-CZ 2.89Å; E593-R765 IonicContact OE2-NE 2.71Å; E593-R765 PolarHBondContact OE2-NE 3.05Å; E593-R765 IonicContact OE2-NH2 3.6Å; E593-R765 PolarHBondContact OE2-NH2 3.37Å
594V91.2Very high90.2Very high1 Ų124.1 Ų24.11%0.00612%0.118CC..Hα-helixtrans-70.2-19.4175.1-57.10000113.1L338 L390 Y391 L394 H592 L596 V597 Y598L338-V594 HydrophobicContact CD2-CG1 4.29Å; L390-V594 HydrophobicContact CD2-CG1 3.84Å; Y391-V594 HydrophobicContact CD1-CG1 4.38Å; Y391-V594 HydrophobicContact CD1-CG2 4.44Å; Y391-V594 HydrophobicContact CE1-CB 4.28Å; Y391-V594 HydrophobicContact CE1-CG1 3.85Å; Y391-V594 HydrophobicContact CE1-CG2 4.09Å; Y391-V594 HydrophobicContact CE2-CG1 4.36Å; L394-V594 HydrophobicContact CD1-CG2 4.13Å; H592-V594 VanDerWaalsContact C-N 3.28Å; H592-V594 HydrophobicContact CB-CG2 4.46Å; H592-V594 WeakPolarHBondContact ND1-CG2 3.34Å; H592-V594 PolarHBondContact ND1-N 3.39Å; H592-V594 PolarHBondContact O-N 3.14Å; V594-L596 PolarHBondContact O-N 3.39Å; V594-V597 PolarHBondContact O-N 2.88Å; V594-Y598 HydrophobicContact CB-CE2 4.2Å; V594-Y598 HydrophobicContact CG2-CD2 4.45Å; V594-Y598 HydrophobicContact CG2-CE2 3.69Å; V594-Y598 PolarHBondContact O-N 3.06Å; V594-Y598 VanDerWaalsContact O-N 3.14Å
595E92.2Very high89.7Confident6 Ų629.4 Ų29.43%0.02814%0.141CC..Hα-helixtrans-60.7-31.7174.6-62.3-175.5-132.800111.1H592 E593 V597 Y598 Y599 T610 T611 N613 L614H592-E595 HydrophobicContact CB-CG 4.15Å; H592-E595 PolarHBondContact N-OE1 2.91Å; H592-E595 VanDerWaalsContact O-CB 3.27Å; H592-E595 WeakPolarHBondContact O-CB 3.37Å; H592-E595 WeakPolarHBondContact O-CG 3.17Å; H592-E595 PolarHBondContact O-N 3.49Å; H592-E595 VanDerWaalsContact O-N 3.07Å; E593-E595 VanDerWaalsContact C-N 3.25Å; E593-E595 PolarHBondContact O-N 2.97Å; E595-V597 VanDerWaalsContact C-N 3.32Å; E595-V597 PolarHBondContact O-N 3.32Å; E595-Y598 PolarHBondContact O-N 2.87Å; E595-Y599 VanDerWaalsContact O-CB 3.25Å; E595-Y599 WeakPolarHBondContact O-CB 3.46Å; E595-Y599 PolarHBondContact O-N 3.21Å; E595-T610 WeakPolarHBondContact CG-O 3.42Å; E595-T611 VanDerWaalsContact OE2-C 3.24Å; E595-T611 WeakPolarHBondContact OE2-CA 3.49Å; E595-N613 WeakPolarHBondContact OE1-CB 3.44Å; E595-N613 PolarHBondContact OE1-ND2 3.35Å; E595-N613 WeakPolarHBondContact OE2-CB 3.31Å; E595-N613 PolarHBondContact OE2-N 3.23Å; E595-N613 VanDerWaalsContact OE2-N 3.12Å; E595-L614 HydrophobicContact CB-CB 4.06Å; E595-L614 HydrophobicContact CB-CD2 4.42Å; E595-L614 PolarHBondContact OE2-N 3.1Å
596L92.4Very high89.4Confident2 Ų229.3 Ų29.31%0.0114%0.141CC..Hα-helixtrans-60.6-41.7175.1-62.8167.2000111.5M591 E593 V594 I600 L614 M725 L729 M734 V761 V764M591-L596 HydrophobicContact SD-CD2 4.33Å; E593-L596 WeakPolarHBondContact O-CB 3.36Å; E593-L596 PolarHBondContact O-N 3.42Å; V594-L596 PolarHBondContact O-N 3.39Å; L596-I600 WeakPolarHBondContact O-CG1 3.23Å; L596-I600 PolarHBondContact O-N 3.07Å; L596-L614 HydrophobicContact CD2-CD1 3.87Å; L596-L614 HydrophobicContact CD2-CD2 4.01Å; L596-M725 HydrophobicContact CD2-CE 3.95Å; L596-L729 HydrophobicContact CD2-CD2 3.53Å; L596-M734 HydrophobicContact CB-CE 4.09Å; L596-M734 HydrophobicContact CB-SD 4.08Å; L596-V761 HydrophobicContact CB-CG2 4.15Å; L596-V761 HydrophobicContact CD1-CB 4.46Å; L596-V761 HydrophobicContact CD1-CG1 4.24Å; L596-V761 HydrophobicContact CD1-CG2 4.16Å; L596-V764 HydrophobicContact CD1-CB 4.13Å; L596-V764 HydrophobicContact CD1-CG1 4.23Å; L596-V764 HydrophobicContact CD1-CG2 3.91Å
597V92.4Very high88.9Confident2 Ų233.2 Ų33.21%0.01217%0.17CC..Hα-helixtrans-68.7-46.9178.8-178.80000109.8V342 V594 E595 Y599 I600 F601 V761V342-V597 HydrophobicContact CG2-CG1 3.86Å; V594-V597 PolarHBondContact O-N 2.88Å; E595-V597 VanDerWaalsContact C-N 3.32Å; E595-V597 PolarHBondContact O-N 3.32Å; V597-Y599 VanDerWaalsContact C-N 3.31Å; V597-Y599 PolarHBondContact O-N 3.32Å; V597-I600 PolarHBondContact O-N 2.85Å; V597-F601 HydrophobicContact CG1-CD2 3.86Å; V597-F601 HydrophobicContact CG1-CE2 4.03Å; V597-F601 WeakPolarHBondContact O-CD2 3.27Å; V597-F601 PolarHBondContact O-N 3.39Å; V597-F601 VanDerWaalsContact O-N 3.09Å; V597-V761 HydrophobicContact CG2-CG2 3.97Å
598Y91.3Very high88.1Confident13 Ų1335.6 Ų35.65%0.05120%0.195CC..Hα-helixtrans-63.4-38.1-179.5-55.9-26.3000112.8K341 Y391 V594 E595 G602 R603 F606 A609K341-Y598 HydrophobicContact CB-CE1 4.43Å; K341-Y598 HydrophobicContact CD-CE1 4.3Å; Y391-Y598 WeakPolarHBondContact CE1-OH 3.39Å; V594-Y598 HydrophobicContact CB-CE2 4.2Å; V594-Y598 HydrophobicContact CG2-CD2 4.45Å; V594-Y598 HydrophobicContact CG2-CE2 3.69Å; V594-Y598 PolarHBondContact O-N 3.06Å; V594-Y598 VanDerWaalsContact O-N 3.14Å; E595-Y598 PolarHBondContact O-N 2.87Å; Y598-G602 CarbonylContact O-C 3.51Å; Y598-G602 WeakPolarHBondContact O-CA 3.13Å; Y598-G602 PolarHBondContact O-N 3.5Å; Y598-G602 VanDerWaalsContact O-N 3.08Å; Y598-R603 PolarHBondContact O-N 3.3Å; Y598-F606 HydrophobicContact CD1-CB 4.22Å; Y598-F606 AromaticContact CD1-CD1 3.77Å; Y598-F606 HydrophobicContact CD1-CD1 3.77Å; Y598-F606 AromaticContact CD1-CD2 3.69Å; Y598-F606 HydrophobicContact CD1-CD2 3.69Å; Y598-F606 AromaticContact CD1-CE1 3.99Å; Y598-F606 HydrophobicContact CD1-CE1 3.99Å; Y598-F606 AromaticContact CD1-CE2 3.93Å; Y598-F606 HydrophobicContact CD1-CE2 3.93Å; Y598-F606 AromaticContact CD1-CG 3.6Å; Y598-F606 HydrophobicContact CD1-CG 3.6Å; Y598-F606 HydrophobicContact CD1-CZ 4.06Å; Y598-F606 AromaticContact CE1-CD1 3.88Å; Y598-F606 HydrophobicContact CE1-CD1 3.88Å; Y598-F606 HydrophobicContact CE1-CE1 4.21Å; Y598-F606 HydrophobicContact CE1-CG 4.07Å; Y598-F606 HydrophobicContact CG-CB 4.49Å; Y598-F606 HydrophobicContact CG-CD2 4.09Å; Y598-F606 HydrophobicContact CG-CG 4.2Å; Y598-A609 HydrophobicContact CD2-CB 3.62Å; Y598-A609 HydrophobicContact CE2-CB 3.62Å; Y598-A609 HydrophobicContact CG-CB 4.25Å
599Y90.3Very high87.6Confident96 Ų9636.4 Ų36.438%0.37620%0.202SC..Hα-helixtrans-61.5-45.6176.5-176.4-94.9000111.8E595 V597 L614 E615 L729E595-Y599 VanDerWaalsContact O-CB 3.25Å; E595-Y599 WeakPolarHBondContact O-CB 3.46Å; E595-Y599 PolarHBondContact O-N 3.21Å; V597-Y599 VanDerWaalsContact C-N 3.31Å; V597-Y599 PolarHBondContact O-N 3.32Å; Y599-L614 HydrophobicContact CD1-CD2 4.33Å; Y599-L614 HydrophobicContact CD2-CD2 4.1Å; Y599-L614 HydrophobicContact CG-CD2 3.73Å; Y599-E615 HydrophobicContact CD2-CG 4.34Å; Y599-E615 HydrophobicContact CE2-CG 4.19Å; Y599-L729 HydrophobicContact CD1-CD2 4.4Å
600I90.2Very high87.4Confident19 Ų1933.4 Ų33.410%0.09718%0.184CC..Hα-helixtrans-72.4-41.6-175.6-66.8-70.4000112.7L596 V597 G602 M734 H738L596-I600 WeakPolarHBondContact O-CG1 3.23Å; L596-I600 PolarHBondContact O-N 3.07Å; V597-I600 PolarHBondContact O-N 2.85Å; I600-G602 VanDerWaalsContact C-N 3.29Å; I600-M734 HydrophobicContact CD1-CB 3.59Å; I600-M734 HydrophobicContact CG1-CB 3.72Å; I600-M734 HydrophobicContact CG1-CE 4.09Å; I600-M734 HydrophobicContact CG1-SD 4.33Å; I600-H738 HydrophobicContact CG2-CB 3.52Å
601F89.5Confident87.5Confident8 Ų833 Ų334%0.03518%0.18CC..Hα-helixtrans-80-13.7179.4-80.4-92.3000113.9V342 V597 K605 F606 H738 N743 M754 L757V342-F601 HydrophobicContact CB-CE1 4.33Å; V342-F601 HydrophobicContact CB-CZ 4.31Å; V342-F601 HydrophobicContact CG1-CD1 3.77Å; V342-F601 HydrophobicContact CG1-CE1 3.26Å; V342-F601 HydrophobicContact CG1-CE2 4.26Å; V342-F601 HydrophobicContact CG1-CG 4.48Å; V342-F601 HydrophobicContact CG1-CZ 3.55Å; V342-F601 HydrophobicContact CG2-CD1 4.23Å; V342-F601 HydrophobicContact CG2-CD2 3.83Å; V342-F601 HydrophobicContact CG2-CE1 4.08Å; V342-F601 HydrophobicContact CG2-CE2 3.61Å; V342-F601 HydrophobicContact CG2-CG 4.13Å; V342-F601 HydrophobicContact CG2-CZ 3.77Å; V597-F601 HydrophobicContact CG1-CD2 3.86Å; V597-F601 HydrophobicContact CG1-CE2 4.03Å; V597-F601 WeakPolarHBondContact O-CD2 3.27Å; V597-F601 PolarHBondContact O-N 3.39Å; V597-F601 VanDerWaalsContact O-N 3.09Å; F601-K605 WeakPolarHBondContact O-CD 3.29Å; F601-K605 PolarHBondContact O-NZ 3.18Å; F601-F606 HydrophobicContact CB-CE2 3.61Å; F601-F606 HydrophobicContact CB-CZ 3.71Å; F601-F606 HydrophobicContact CG-CZ 4.33Å; F601-H738 AromaticContact CD1-CE1 3.34Å; F601-H738 WeakPolarHBondContact CD1-CE1 3.4Å; F601-H738 AromaticContact CD1-ND1 3.74Å; F601-H738 AromaticContact CE1-CE1 3.46Å; F601-H738 VanDerWaalsContact CE1-CE1 3.46Å; F601-H738 WeakPolarHBondContact CE1-CE1 3.45Å; F601-H738 AromaticContact CE1-ND1 3.52Å; F601-H738 AromaticContact CG-CE1 3.94Å; F601-H738 AromaticContact CZ-ND1 3.76Å; F601-N743 WeakPolarHBondContact CE1-OD1 3.37Å; F601-M754 HydrophobicContact CZ-CE 4.37Å; F601-M754 HydrophobicContact CZ-SD 4.29Å; F601-L757 HydrophobicContact CE2-CD1 3.48Å; F601-L757 VanDerWaalsContact CE2-CD1 3.48Å; F601-L757 HydrophobicContact CZ-CD1 3.59Å
602G86.2Confident87.5Confident17 Ų1732.9 Ų32.918%0.17518%0.179CC..  trans94119-174.800000112Y598 I600 H604 K605 F606Y598-G602 CarbonylContact O-C 3.51Å; Y598-G602 WeakPolarHBondContact O-CA 3.13Å; Y598-G602 PolarHBondContact O-N 3.5Å; Y598-G602 VanDerWaalsContact O-N 3.08Å; I600-G602 VanDerWaalsContact C-N 3.29Å; G602-H604 PolarHBondContact O-N 3.48Å; G602-H604 VanDerWaalsContact O-N 3.13Å; G602-K605 WeakPolarHBondContact O-CB 3.44Å; G602-K605 PolarHBondContact O-N 3.47Å; G602-F606 WeakPolarHBondContact O-CD2 3.2Å
603R83.9Confident87.6Confident47 Ų4731.3 Ų31.318%0.17717%0.172CC..G310 helixtrans-54.1-31-178.661.2-171.8-171.9-164.87.6115.6T526 A527 Y598 K605 F606 E615T526-R603 PolarHBondContact O-NE 3.01Å; T526-R603 PolarHBondContact O-NH2 3.04Å; A527-R603 PolarHBondContact O-NH1 2.76Å; A527-R603 VanDerWaalsContact O-NH1 3.08Å; A527-R603 PolarHBondContact O-NH2 2.83Å; A527-R603 VanDerWaalsContact O-NH2 3.11Å; Y598-R603 PolarHBondContact O-N 3.3Å; R603-K605 PolarHBondContact O-N 3.25Å; R603-K605 VanDerWaalsContact O-N 3.12Å; R603-F606 PolarHBondContact O-N 3.4Å; R603-E615 IonicContact NH1-OE1 2.92Å; R603-E615 PolarHBondContact NH1-OE1 2.96Å; R603-E615 IonicContact NH1-OE2 2.65Å; R603-E615 PolarHBondContact NH1-OE2 3.12Å
604H81.3Confident87.7Confident101 Ų10130.8 Ų30.847%0.46817%0.17SC..G310 helixtrans-60.4-22.117863.1-81000113.2G602 F606G602-H604 PolarHBondContact O-N 3.48Å; G602-H604 VanDerWaalsContact O-N 3.13Å; H604-F606 VanDerWaalsContact C-N 3.29Å
605K85.1Confident87.7Confident110 Ų11031.6 Ų31.648%0.47817%0.174SC..G310 helixtrans-80.6-8.4176.1-61.2-175.2-1771620113.8F601 G602 R603 P607F601-K605 WeakPolarHBondContact O-CD 3.29Å; F601-K605 PolarHBondContact O-NZ 3.18Å; G602-K605 WeakPolarHBondContact O-CB 3.44Å; G602-K605 PolarHBondContact O-N 3.47Å; R603-K605 PolarHBondContact O-N 3.25Å; R603-K605 VanDerWaalsContact O-N 3.12Å; K605-P607 WeakPolarHBondContact O-CD 3.35Å
606F86.9Confident87.7Confident14 Ų1434.9 Ų34.96%0.06119%0.186CC..SBendtrans-125.179.3-176.1-50.6-78.8000110K341 V342 Y598 F601 G602 R603 H604 G608 A609K341-F606 HydrophobicContact CB-CD1 4.01Å; K341-F606 HydrophobicContact CB-CE1 3.97Å; V342-F606 HydrophobicContact CG2-CE1 4.45Å; V342-F606 HydrophobicContact CG2-CZ 4.23Å; Y598-F606 HydrophobicContact CD1-CB 4.22Å; Y598-F606 AromaticContact CD1-CD1 3.77Å; Y598-F606 HydrophobicContact CD1-CD1 3.77Å; Y598-F606 AromaticContact CD1-CD2 3.69Å; Y598-F606 HydrophobicContact CD1-CD2 3.69Å; Y598-F606 AromaticContact CD1-CE1 3.99Å; Y598-F606 HydrophobicContact CD1-CE1 3.99Å; Y598-F606 AromaticContact CD1-CE2 3.93Å; Y598-F606 HydrophobicContact CD1-CE2 3.93Å; Y598-F606 AromaticContact CD1-CG 3.6Å; Y598-F606 HydrophobicContact CD1-CG 3.6Å; Y598-F606 HydrophobicContact CD1-CZ 4.06Å; Y598-F606 AromaticContact CE1-CD1 3.88Å; Y598-F606 HydrophobicContact CE1-CD1 3.88Å; Y598-F606 HydrophobicContact CE1-CE1 4.21Å; Y598-F606 HydrophobicContact CE1-CG 4.07Å; Y598-F606 HydrophobicContact CG-CB 4.49Å; Y598-F606 HydrophobicContact CG-CD2 4.09Å; Y598-F606 HydrophobicContact CG-CG 4.2Å; F601-F606 HydrophobicContact CB-CE2 3.61Å; F601-F606 HydrophobicContact CB-CZ 3.71Å; F601-F606 HydrophobicContact CG-CZ 4.33Å; G602-F606 WeakPolarHBondContact O-CD2 3.2Å; R603-F606 PolarHBondContact O-N 3.4Å; H604-F606 VanDerWaalsContact C-N 3.29Å; F606-G608 PolarHBondContact O-N 3.09Å; F606-A609 HydrophobicContact CB-CB 3.7Å; F606-A609 VanDerWaalsContact O-CB 3.3Å; F606-A609 WeakPolarHBondContact O-CB 3.39Å; F606-A609 PolarHBondContact O-N 3.49Å; F606-A609 VanDerWaalsContact O-N 3.08Å
607P79.3Confident87.7Confident121 Ų12134.8 Ų34.879%0.78619%0.185SC*.THydrogen-bonded Turntrans-54.3136.1177.8-24.634.3000111.6K605 A609K605-P607 WeakPolarHBondContact O-CD 3.35Å; P607-A609 PolarHBondContact O-N 3.33Å
608G76.4Confident87.7Confident53 Ų5336.1 Ų36.155%0.54619%0.193SC..THydrogen-bonded Turntrans75.8-5.7-178.400000115.4A467 F606A467-G608 VanDerWaalsContact CB-O 3.26Å; A467-G608 WeakPolarHBondContact CB-O 3.48Å; F606-G608 PolarHBondContact O-N 3.09Å
609A82.7Confident87.8Confident17 Ų1739.5 Ų39.514%0.1421%0.206CC..  trans-83.4150.3173.800000111.8Y598 F606 P607Y598-A609 HydrophobicContact CD2-CB 3.62Å; Y598-A609 HydrophobicContact CE2-CB 3.62Å; Y598-A609 HydrophobicContact CG-CB 4.25Å; F606-A609 HydrophobicContact CB-CB 3.7Å; F606-A609 VanDerWaalsContact O-CB 3.3Å; F606-A609 WeakPolarHBondContact O-CB 3.39Å; F606-A609 PolarHBondContact O-N 3.49Å; F606-A609 VanDerWaalsContact O-N 3.08Å; P607-A609 PolarHBondContact O-N 3.33Å
610T84.9Confident88Confident12 Ų1235.6 Ų35.67%0.07419%0.191CC..  trans-120.3147.2174.5-176.40000110.6A467 E595 A612A467-T610 HydrophobicContact CB-CG2 4.3Å; E595-T610 WeakPolarHBondContact CG-O 3.42Å; T610-A612 WeakPolarHBondContact OG1-CB 3.46Å; T610-A612 PolarHBondContact OG1-N 3.05Å; T610-A612 VanDerWaalsContact OG1-N 3.15Å
611T90.8Very high88.3Confident1 Ų135 Ų351%0.00619%0.188CC..  trans-11715.1169.847.90000111.1E595 N613 L614 E615E595-T611 VanDerWaalsContact OE2-C 3.24Å; E595-T611 WeakPolarHBondContact OE2-CA 3.49Å; T611-N613 VanDerWaalsContact C-N 3.34Å; T611-N613 PolarHBondContact O-N 3.24Å; T611-L614 PolarHBondContact O-N 3Å; T611-E615 WeakPolarHBondContact O-CB 3.45Å; T611-E615 WeakPolarHBondContact O-CG 3.22Å; T611-E615 PolarHBondContact O-N 2.98Å; T611-E615 PolarHBondContact OG1-OE1 2.95Å
612A90.9Very high88.6Confident0 Ų037.3 Ų37.30%020%0.2CC..Hα-helixtrans-59.4-39.2-170.500000113.5I465 V489 T530 T610 R616I465-A612 HydrophobicContact CB-CB 4.04Å; I465-A612 HydrophobicContact CD1-CB 4.37Å; I465-A612 HydrophobicContact CG2-CB 3.8Å; V489-A612 HydrophobicContact CG1-CB 4.1Å; T530-A612 HydrophobicContact CG2-CB 3.68Å; T610-A612 WeakPolarHBondContact OG1-CB 3.46Å; T610-A612 PolarHBondContact OG1-N 3.05Å; T610-A612 VanDerWaalsContact OG1-N 3.15Å; A612-R616 WeakPolarHBondContact O-CB 3.15Å; A612-R616 PolarHBondContact O-N 3.42Å
613N91.9Very high89.1Confident7 Ų737.4 Ų37.44%0.03720%0.198CC..Hα-helixtrans-74.6-41.4-176.4-55.9-64.5000110.5I465 M591 E595 T611 R616 F617I465-N613 WeakPolarHBondContact CB-OD1 3.43Å; I465-N613 PolarHBondContact N-OD1 3.33Å; I465-N613 PolarHBondContact O-ND2 2.57Å; I465-N613 VanDerWaalsContact O-ND2 3.1Å; M591-N613 HydrophobicContact CB-CB 4.17Å; E595-N613 WeakPolarHBondContact OE1-CB 3.44Å; E595-N613 PolarHBondContact OE1-ND2 3.35Å; E595-N613 WeakPolarHBondContact OE2-CB 3.31Å; E595-N613 PolarHBondContact OE2-N 3.23Å; E595-N613 VanDerWaalsContact OE2-N 3.12Å; T611-N613 VanDerWaalsContact C-N 3.34Å; T611-N613 PolarHBondContact O-N 3.24Å; N613-R616 PolarHBondContact O-N 2.98Å; N613-F617 WeakPolarHBondContact O-CB 3.22Å; N613-F617 PolarHBondContact O-N 2.65Å
614L92.4Very high89.8Confident0 Ų035.2 Ų35.20%019%0.189CC..Hα-helixtrans-60.1-50.1171.2172.461000111.4M591 E595 L596 Y599 T611 R616 F617 V618 M725 L729M591-L614 HydrophobicContact CG-CB 3.96Å; M591-L614 HydrophobicContact SD-CB 3.91Å; M591-L614 HydrophobicContact SD-CD1 3.49Å; M591-L614 WeakPolarHBondContact SD-CD1 3.18Å; M591-L614 HydrophobicContact SD-CG 4.24Å; E595-L614 HydrophobicContact CB-CB 4.06Å; E595-L614 HydrophobicContact CB-CD2 4.42Å; E595-L614 PolarHBondContact OE2-N 3.1Å; L596-L614 HydrophobicContact CD2-CD1 3.87Å; L596-L614 HydrophobicContact CD2-CD2 4.01Å; Y599-L614 HydrophobicContact CD1-CD2 4.33Å; Y599-L614 HydrophobicContact CD2-CD2 4.1Å; Y599-L614 HydrophobicContact CG-CD2 3.73Å; T611-L614 PolarHBondContact O-N 3Å; L614-R616 VanDerWaalsContact C-N 3.3Å; L614-R616 PolarHBondContact O-N 3.44Å; L614-F617 PolarHBondContact O-N 3.46Å; L614-F617 VanDerWaalsContact O-N 3.14Å; L614-V618 HydrophobicContact CD1-CG2 4.01Å; L614-V618 WeakPolarHBondContact O-CG2 3.38Å; L614-V618 PolarHBondContact O-N 2.69Å; L614-M725 HydrophobicContact CD1-CE 4.15Å; L614-L729 HydrophobicContact CD1-CD1 3.86Å; L614-L729 HydrophobicContact CD1-CD2 4.17Å; L614-L729 HydrophobicContact CD2-CD2 4.3Å
615E90.8Very high90.5Very high18 Ų1832 Ų328%0.08417%0.174CC..Hα-helixtrans-60.1-40.8178.9-75.7174.3-16400111.3T530 A531 Y599 R603 T611 F617 V618 R619T530-E615 VanDerWaalsContact CB-OE2 3.25Å; T530-E615 WeakPolarHBondContact CB-OE2 3.41Å; T530-E615 PolarHBondContact OG1-OE2 2.88Å; A531-E615 WeakPolarHBondContact CA-OE2 3.5Å; A531-E615 PolarHBondContact N-OE2 3.25Å; A531-E615 VanDerWaalsContact N-OE2 3.11Å; Y599-E615 HydrophobicContact CD2-CG 4.34Å; Y599-E615 HydrophobicContact CE2-CG 4.19Å; R603-E615 IonicContact NH1-OE1 2.92Å; R603-E615 PolarHBondContact NH1-OE1 2.96Å; R603-E615 IonicContact NH1-OE2 2.65Å; R603-E615 PolarHBondContact NH1-OE2 3.12Å; T611-E615 WeakPolarHBondContact O-CB 3.45Å; T611-E615 WeakPolarHBondContact O-CG 3.22Å; T611-E615 PolarHBondContact O-N 2.98Å; T611-E615 PolarHBondContact OG1-OE1 2.95Å; E615-F617 PolarHBondContact O-N 3.32Å; E615-V618 PolarHBondContact O-N 3.38Å; E615-R619 WeakPolarHBondContact O-CB 3.27Å; E615-R619 PolarHBondContact O-N 2.73Å
616R91.5Very high91.1Very high75 Ų7528 Ų2828%0.28316%0.157SC..Hα-helixtrans-61.6-42.1174.2-177.1-179.1179.7-1800.3112.3L462 Y583 L587 A612 N613 L614 R619 H620L462-R616 VanDerWaalsContact CD2-NH2 3.32Å; Y583-R616 PolarHBondContact OH-NH2 3.32Å; L587-R616 HydrophobicContact CD2-CG 3.97Å; L587-R616 VanDerWaalsContact CD2-NE 3.34Å; A612-R616 WeakPolarHBondContact O-CB 3.15Å; A612-R616 PolarHBondContact O-N 3.42Å; N613-R616 PolarHBondContact O-N 2.98Å; L614-R616 VanDerWaalsContact C-N 3.3Å; L614-R616 PolarHBondContact O-N 3.44Å; R616-R619 PolarHBondContact O-N 2.69Å; R616-H620 PolarHBondContact O-N 2.82Å
617F93.7Very high91.7Very high0 Ų027.4 Ų27.40%016%0.155CC..Hα-helixtrans-67.7-44.4178.1-174.6-137.7000112.2D584 L587 F588 N613 L614 E615 R619 H620 F621 N662 I722 M725D584-F617 HydrophobicContact CB-CE2 4.2Å; L587-F617 HydrophobicContact CB-CB 4.29Å; L587-F617 HydrophobicContact CB-CD2 3.66Å; L587-F617 HydrophobicContact CB-CE2 4.4Å; L587-F617 HydrophobicContact CB-CG 4.29Å; L587-F617 HydrophobicContact CD1-CD2 4.2Å; F588-F617 HydrophobicContact CB-CE1 4.09Å; F588-F617 HydrophobicContact CB-CE2 4.3Å; F588-F617 HydrophobicContact CB-CZ 3.94Å; F588-F617 HydrophobicContact CD2-CD1 4.13Å; F588-F617 AromaticContact CD2-CE1 3.48Å; F588-F617 HydrophobicContact CD2-CE1 3.48Å; F588-F617 VanDerWaalsContact CD2-CE1 3.48Å; F588-F617 HydrophobicContact CD2-CZ 4.06Å; F588-F617 HydrophobicContact CE2-CE1 4.23Å; F588-F617 HydrophobicContact CG-CE1 4.1Å; F588-F617 HydrophobicContact CG-CZ 4.23Å; N613-F617 WeakPolarHBondContact O-CB 3.22Å; N613-F617 PolarHBondContact O-N 2.65Å; L614-F617 PolarHBondContact O-N 3.46Å; L614-F617 VanDerWaalsContact O-N 3.14Å; E615-F617 PolarHBondContact O-N 3.32Å; F617-R619 VanDerWaalsContact C-N 3.32Å; F617-R619 PolarHBondContact O-N 3.07Å; F617-H620 PolarHBondContact O-N 3.02Å; F617-F621 PolarHBondContact O-N 3.41Å; F617-N662 HydrophobicContact CZ-CB 4.38Å; F617-I722 HydrophobicContact CE1-CG2 4.47Å; F617-I722 HydrophobicContact CZ-CG2 3.7Å; F617-M725 HydrophobicContact CD1-CG 3.87Å; F617-M725 HydrophobicContact CE1-CB 4.37Å; F617-M725 HydrophobicContact CE1-CG 3.27Å; F617-M725 HydrophobicContact CE1-SD 4.15Å; F617-M725 HydrophobicContact CZ-CG 4.13Å
618V92.4Very high92.6Very high29 Ų2921.6 Ų21.618%0.17612%0.117CC..Hα-helixtrans-63.2-39.3174.1174.20000111.4L614 E615 H620 F621 N622 L729L614-V618 HydrophobicContact CD1-CG2 4.01Å; L614-V618 WeakPolarHBondContact O-CG2 3.38Å; L614-V618 PolarHBondContact O-N 2.69Å; E615-V618 PolarHBondContact O-N 3.38Å; V618-H620 VanDerWaalsContact C-N 3.34Å; V618-H620 PolarHBondContact O-N 3.15Å; V618-F621 WeakPolarHBondContact O-CB 3.48Å; V618-F621 PolarHBondContact O-N 3.26Å; V618-N622 PolarHBondContact O-N 3.44Å; V618-N622 PolarHBondContact O-ND2 3.26Å; V618-N622 VanDerWaalsContact O-ND2 3.16Å; V618-L729 HydrophobicContact CG2-CD1 3.36Å
619R92.6Very high93.6Very high85 Ų8519.1 Ų19.132%0.3219%0.091SC..Hα-helixtrans-61.3-42.8174.9-176.2-177.2168.7915.4111.1L532 G533 L534 E615 R616 F617 F621 N622 V623L532-R619 PolarHBondContact O-NH1 2.84Å; G533-R619 PolarHBondContact O-NH1 2.88Å; L534-R619 HydrophobicContact CD2-CG 3.77Å; L534-R619 PolarHBondContact O-NH2 3.48Å; E615-R619 WeakPolarHBondContact O-CB 3.27Å; E615-R619 PolarHBondContact O-N 2.73Å; R616-R619 PolarHBondContact O-N 2.69Å; F617-R619 VanDerWaalsContact C-N 3.32Å; F617-R619 PolarHBondContact O-N 3.07Å; R619-F621 VanDerWaalsContact C-N 3.34Å; R619-F621 PolarHBondContact O-N 3.41Å; R619-N622 WeakPolarHBondContact O-CB 3.07Å; R619-N622 PolarHBondContact O-N 3.37Å; R619-N622 VanDerWaalsContact O-N 3.11Å; R619-V623 WeakPolarHBondContact O-CG2 3.23Å; R619-V623 PolarHBondContact O-N 2.89Å
620H95.3Very high94.3Very high13 Ų1318.3 Ų18.36%0.069%0.085CC..Hα-helixtrans-61.4-40.1178.6-172.464.1000112.6Y583 D584 L587 R616 F617 V618 N622 V623 V624Y583-H620 AromaticContact CD1-CE1 3.49Å; Y583-H620 VanDerWaalsContact CD1-CE1 3.49Å; Y583-H620 WeakPolarHBondContact CD1-CE1 3.24Å; Y583-H620 AromaticContact CD1-ND1 3.93Å; Y583-H620 AromaticContact CD1-NE2 3.62Å; Y583-H620 AromaticContact CE1-CE1 3.58Å; Y583-H620 AromaticContact CE1-ND1 3.57Å; D584-H620 IonicContact OD1-CD2 2.79Å; D584-H620 PolarHBondContact OD1-CD2 2.89Å; D584-H620 IonicContact OD1-NE2 3.76Å; L587-H620 HydrophobicContact CD1-CB 3.7Å; R616-H620 PolarHBondContact O-N 2.82Å; F617-H620 PolarHBondContact O-N 3.02Å; V618-H620 VanDerWaalsContact C-N 3.34Å; V618-H620 PolarHBondContact O-N 3.15Å; H620-N622 VanDerWaalsContact C-N 3.29Å; H620-N622 PolarHBondContact O-N 3.25Å; H620-V623 WeakPolarHBondContact O-CB 3.48Å; H620-V623 PolarHBondContact O-N 2.72Å; H620-V623 VanDerWaalsContact O-N 3.11Å; H620-V624 WeakPolarHBondContact O-CG2 3.42Å; H620-V624 PolarHBondContact O-N 3.11Å
621F96.1Very high94.9Very high7 Ų717.9 Ų17.93%0.0318%0.082CC..Hα-helixtrans-53.1-48.2171.5175.4-83.7000111.7F617 V618 R619 V623 V624 Q625 N662 F665 A666 F669 F724 P726F617-F621 PolarHBondContact O-N 3.41Å; V618-F621 WeakPolarHBondContact O-CB 3.48Å; V618-F621 PolarHBondContact O-N 3.26Å; R619-F621 VanDerWaalsContact C-N 3.34Å; R619-F621 PolarHBondContact O-N 3.41Å; F621-V623 VanDerWaalsContact C-N 3.35Å; F621-V623 PolarHBondContact O-N 2.91Å; F621-V624 PolarHBondContact O-N 3.32Å; F621-Q625 PolarHBondContact O-N 3.41Å; F621-N662 WeakPolarHBondContact CD2-O 3.5Å; F621-N662 VanDerWaalsContact CE2-O 3.3Å; F621-N662 WeakPolarHBondContact CE2-O 3.34Å; F621-F665 HydrophobicContact CE2-CB 4.15Å; F621-A666 HydrophobicContact CD2-CB 3.67Å; F621-A666 HydrophobicContact CE2-CB 3.68Å; F621-A666 HydrophobicContact CG-CB 4.16Å; F621-A666 HydrophobicContact CZ-CB 4.17Å; F621-F669 AromaticContact CZ-CD2 3.73Å; F621-F669 HydrophobicContact CZ-CD2 3.73Å; F621-F669 HydrophobicContact CZ-CE2 4.21Å; F621-F724 HydrophobicContact CE2-CD2 4.03Å; F621-F724 AromaticContact CE2-CE2 3.65Å; F621-F724 HydrophobicContact CE2-CE2 3.65Å; F621-F724 HydrophobicContact CZ-CD2 4.48Å; F621-F724 AromaticContact CZ-CE2 3.66Å; F621-F724 HydrophobicContact CZ-CE2 3.66Å; F621-P726 HydrophobicContact CD1-CG 3.89Å; F621-P726 HydrophobicContact CD2-CG 4.04Å; F621-P726 HydrophobicContact CE1-CG 3.87Å; F621-P726 HydrophobicContact CE2-CG 4Å; F621-P726 HydrophobicContact CG-CG 4Å; F621-P726 HydrophobicContact CZ-CG 3.92Å
622N95.4Very high95.2Very high56 Ų5617.9 Ų17.930%0.2998%0.082SC..Hα-helixtrans-66.5-35.9179.2-67.4-51.9000112.2L534 V618 R619 H620 Q625 H626L534-N622 HydrophobicContact CD1-CB 4.01Å; L534-N622 HydrophobicContact CD2-CB 4.01Å; L534-N622 HydrophobicContact CG-CB 4.24Å; V618-N622 PolarHBondContact O-N 3.44Å; V618-N622 PolarHBondContact O-ND2 3.26Å; V618-N622 VanDerWaalsContact O-ND2 3.16Å; R619-N622 WeakPolarHBondContact O-CB 3.07Å; R619-N622 PolarHBondContact O-N 3.37Å; R619-N622 VanDerWaalsContact O-N 3.11Å; H620-N622 VanDerWaalsContact C-N 3.29Å; H620-N622 PolarHBondContact O-N 3.25Å; N622-Q625 PolarHBondContact O-N 3.09Å; N622-H626 PolarHBondContact O-N 3.27Å; N622-H626 PolarHBondContact O-ND1 3.38Å
623V96.8Very high95.4Very high20 Ų2018 Ų1812%0.1218%0.082CC..Hα-helixtrans-60-51.4173.6172.60000110.1L534 R619 H620 F621 Q625 H626 W627 L817 V819L534-V623 HydrophobicContact CD2-CG2 3.48Å; L534-V623 VanDerWaalsContact CD2-CG2 3.48Å; R619-V623 WeakPolarHBondContact O-CG2 3.23Å; R619-V623 PolarHBondContact O-N 2.89Å; H620-V623 WeakPolarHBondContact O-CB 3.48Å; H620-V623 PolarHBondContact O-N 2.72Å; H620-V623 VanDerWaalsContact O-N 3.11Å; F621-V623 VanDerWaalsContact C-N 3.35Å; F621-V623 PolarHBondContact O-N 2.91Å; V623-Q625 VanDerWaalsContact C-N 3.32Å; V623-Q625 PolarHBondContact O-N 3.4Å; V623-H626 PolarHBondContact O-N 3.24Å; V623-W627 VanDerWaalsContact O-CB 3.27Å; V623-W627 WeakPolarHBondContact O-CB 3.45Å; V623-W627 PolarHBondContact O-N 3.23Å; V623-L817 HydrophobicContact CG1-CB 3.67Å; V623-L817 HydrophobicContact CG1-CD1 4.1Å; V623-V819 HydrophobicContact CG1-CG1 4.13Å
624V98Very high95.6Very high0 Ų018.8 Ų18.80%09%0.087CC..Hα-helixtrans-61.9-41-179175.60000111.1L580 H620 F621 W627 V628 A666 V667L580-V624 HydrophobicContact CD2-CG2 3.88Å; H620-V624 WeakPolarHBondContact O-CG2 3.42Å; H620-V624 PolarHBondContact O-N 3.11Å; F621-V624 PolarHBondContact O-N 3.32Å; V624-W627 HydrophobicContact CG1-CE3 4.26Å; V624-W627 PolarHBondContact O-N 2.69Å; V624-V628 PolarHBondContact O-N 3.07Å; V624-A666 HydrophobicContact CB-CB 3.86Å; V624-A666 HydrophobicContact CG1-CB 3.72Å; V624-V667 HydrophobicContact CG1-CG2 3.92Å
625Q97.5Very high95.8Very high34 Ų3419.1 Ų19.116%0.1599%0.089CC..Hα-helixtrans-58.4-52.1174.9-178-165.3-47.100111.9F621 N622 V623 W627 V628 A666 F669 G670F621-Q625 PolarHBondContact O-N 3.41Å; N622-Q625 PolarHBondContact O-N 3.09Å; V623-Q625 VanDerWaalsContact C-N 3.32Å; V623-Q625 PolarHBondContact O-N 3.4Å; Q625-W627 VanDerWaalsContact C-N 3.32Å; Q625-W627 PolarHBondContact O-N 3.48Å; Q625-V628 PolarHBondContact O-N 3.27Å; Q625-A666 WeakPolarHBondContact CA-O 3.11Å; Q625-F669 HydrophobicContact CG-CB 3.9Å; Q625-G670 WeakPolarHBondContact O-CA 3.15Å
626H97.7Very high95.9Very high25 Ų2526.3 Ų26.312%0.11612%0.122CC..Hα-helixtrans-73.4-25.2-177.6-70.886.7000112.8L534 N622 V623 V629 T630 V819 I820L534-H626 HydrophobicContact CD1-CB 4.23Å; N622-H626 PolarHBondContact O-N 3.27Å; N622-H626 PolarHBondContact O-ND1 3.38Å; V623-H626 PolarHBondContact O-N 3.24Å; H626-V629 PolarHBondContact O-N 3.26Å; H626-T630 WeakPolarHBondContact O-CB 3.34Å; H626-T630 PolarHBondContact O-N 3.43Å; H626-T630 PolarHBondContact O-OG1 3.44Å; H626-V819 HydrophobicContact CB-CB 3.92Å; H626-V819 HydrophobicContact CB-CG1 4.47Å; H626-V819 HydrophobicContact CB-CG2 3.94Å; H626-I820 PolarHBondContact CD2-O 2.77Å
627W98Very high96Very high2 Ų226.6 Ų26.61%0.00813%0.129CC..Hα-helixtrans-59-47.4172.9165.459.1000111.2I568 I576 L580 V623 V624 Q625 V629 T630 E631 F648 I651 Y813 L817 V819I568-W627 HydrophobicContact CD1-CZ2 4.09Å; I568-W627 HydrophobicContact CG1-CZ2 4.45Å; I576-W627 HydrophobicContact CG2-CH2 3.99Å; L580-W627 HydrophobicContact CD1-CZ3 4.37Å; V623-W627 VanDerWaalsContact O-CB 3.27Å; V623-W627 WeakPolarHBondContact O-CB 3.45Å; V623-W627 PolarHBondContact O-N 3.23Å; V624-W627 HydrophobicContact CG1-CE3 4.26Å; V624-W627 PolarHBondContact O-N 2.69Å; Q625-W627 VanDerWaalsContact C-N 3.32Å; Q625-W627 PolarHBondContact O-N 3.48Å; W627-V629 VanDerWaalsContact C-N 3.34Å; W627-V629 PolarHBondContact O-N 3.34Å; W627-T630 PolarHBondContact O-N 3.36Å; W627-E631 WeakPolarHBondContact O-CB 3.41Å; W627-E631 WeakPolarHBondContact O-CG 3.38Å; W627-E631 PolarHBondContact O-N 3.4Å; W627-F648 HydrophobicContact CD2-CE1 4.2Å; W627-F648 AromaticContact CE3-CE1 3.97Å; W627-F648 HydrophobicContact CE3-CE1 3.97Å; W627-F648 HydrophobicContact CH2-CD1 4.33Å; W627-F648 AromaticContact CH2-CE1 3.54Å; W627-F648 HydrophobicContact CH2-CE1 3.54Å; W627-F648 HydrophobicContact CH2-CZ 4.46Å; W627-F648 AromaticContact CZ2-CE1 3.75Å; W627-F648 HydrophobicContact CZ2-CE1 3.75Å; W627-F648 HydrophobicContact CZ2-CZ 4.25Å; W627-F648 HydrophobicContact CZ3-CD1 4.3Å; W627-F648 AromaticContact CZ3-CE1 3.66Å; W627-F648 HydrophobicContact CZ3-CE1 3.66Å; W627-I651 HydrophobicContact CH2-CD1 4.32Å; W627-Y813 HydrophobicContact CZ2-CE1 4.12Å; W627-Y813 AromaticContact NE1-CZ 3.97Å; W627-Y813 PolarHBondContact NE1-OH 2.88Å; W627-L817 HydrophobicContact CB-CD1 4.23Å; W627-L817 HydrophobicContact CD2-CD1 4.12Å; W627-L817 HydrophobicContact CD2-CD2 4.32Å; W627-L817 HydrophobicContact CE3-CD1 4.46Å; W627-L817 HydrophobicContact CG-CD1 4.02Å; W627-L817 HydrophobicContact CG-CD2 4.09Å; W627-V819 HydrophobicContact CB-CG1 3.77Å
628V98.1Very high96.1Very high0 Ų028.4 Ų28.40%014%0.139CC..Hα-helixtrans-57.3-47.8176.41760000111.3V624 Q625 L632 F648 V667 L671V624-V628 PolarHBondContact O-N 3.07Å; Q625-V628 PolarHBondContact O-N 3.27Å; V628-L632 HydrophobicContact CG1-CD1 3.91Å; V628-L632 WeakPolarHBondContact O-CB 3.45Å; V628-L632 WeakPolarHBondContact O-CD1 3.47Å; V628-L632 WeakPolarHBondContact O-CG 3.36Å; V628-L632 PolarHBondContact O-N 3.44Å; V628-F648 HydrophobicContact CB-CE1 4.37Å; V628-F648 HydrophobicContact CB-CZ 4.4Å; V628-F648 HydrophobicContact CG1-CD1 4.34Å; V628-F648 HydrophobicContact CG1-CD2 3.97Å; V628-F648 HydrophobicContact CG1-CE2 4.19Å; V628-F648 HydrophobicContact CG1-CG 4.05Å; V628-F648 HydrophobicContact CG1-CZ 4.49Å; V628-F648 HydrophobicContact CG2-CD1 3.76Å; V628-F648 HydrophobicContact CG2-CE1 3.75Å; V628-F648 HydrophobicContact CG2-CG 4.29Å; V628-F648 HydrophobicContact CG2-CZ 4.27Å; V628-V667 HydrophobicContact CG2-CB 4.33Å; V628-V667 HydrophobicContact CG2-CG1 4.13Å; V628-V667 HydrophobicContact CG2-CG2 4.19Å; V628-L671 HydrophobicContact CG1-CD2 3.87Å; V628-L671 HydrophobicContact CG1-CG 4.1Å
629V98Very high96.2Very high0 Ų030.9 Ų30.90%015%0.154CC..Hα-helixtrans-67.4-42.7-178.4-171.70000111.3H626 W627 L632 C633 G670 N673 V676 L826H626-V629 PolarHBondContact O-N 3.26Å; W627-V629 VanDerWaalsContact C-N 3.34Å; W627-V629 PolarHBondContact O-N 3.34Å; V629-L632 PolarHBondContact O-N 3.04Å; V629-C633 VanDerWaalsContact O-CB 3.29Å; V629-C633 WeakPolarHBondContact O-CB 3.46Å; V629-C633 PolarHBondContact O-N 3.14Å; V629-C633 PolarHBondContact O-SG 2.89Å; V629-G670 WeakPolarHBondContact CG2-O 3.48Å; V629-N673 HydrophobicContact CG1-CB 4.42Å; V629-N673 HydrophobicContact CG2-CB 3.62Å; V629-V676 HydrophobicContact CB-CG2 4.34Å; V629-V676 HydrophobicContact CG1-CG2 3.99Å; V629-V676 HydrophobicContact CG2-CG2 4.25Å; V629-L826 HydrophobicContact CB-CD1 4.29Å; V629-L826 HydrophobicContact CG1-CB 4.36Å; V629-L826 HydrophobicContact CG1-CD1 3.7Å; V629-L826 HydrophobicContact CG1-CD2 4Å; V629-L826 HydrophobicContact CG1-CG 4.23Å
630T97.6Very high96.3Very high0 Ų030.8 Ų30.80%016%0.156CC..Hα-helixtrans-60.6-50.7-179.8-61.30000110.8P560 H626 W627 L632 C633 L634 I820P560-T630 HydrophobicContact CG-CG2 3.79Å; H626-T630 WeakPolarHBondContact O-CB 3.34Å; H626-T630 PolarHBondContact O-N 3.43Å; H626-T630 PolarHBondContact O-OG1 3.44Å; W627-T630 PolarHBondContact O-N 3.36Å; T630-L632 VanDerWaalsContact C-N 3.35Å; T630-L632 PolarHBondContact O-N 2.9Å; T630-C633 PolarHBondContact O-N 2.6Å; T630-L634 HydrophobicContact CG2-CD1 3.66Å; T630-L634 HydrophobicContact CG2-CG 4.4Å; T630-L634 WeakPolarHBondContact O-CB 3.49Å; T630-L634 WeakPolarHBondContact O-CG 3.47Å; T630-L634 PolarHBondContact O-N 2.9Å; T630-I820 HydrophobicContact CG2-CB 4.36Å; T630-I820 HydrophobicContact CG2-CD1 4.05Å; T630-I820 HydrophobicContact CG2-CG1 3.86Å; T630-I820 PolarHBondContact OG1-N 3.07Å
631E97.3Very high96.3Very high4 Ų430.3 Ų30.32%0.01915%0.153CC..Hα-helixtrans-65-38.2-178.5-70.9-65.9150.300112.2T564 T565 I568 W627 C635 L644 F648T564-E631 PolarHBondContact N-OE1 3Å; T564-E631 PolarHBondContact N-OE2 3.33Å; T564-E631 PolarHBondContact OG1-OE1 3.15Å; T564-E631 PolarHBondContact OG1-OE2 2.99Å; T565-E631 PolarHBondContact N-OE2 2.82Å; I568-E631 HydrophobicContact CD1-CB 4.27Å; I568-E631 HydrophobicContact CD1-CG 3.62Å; W627-E631 WeakPolarHBondContact O-CB 3.41Å; W627-E631 WeakPolarHBondContact O-CG 3.38Å; W627-E631 PolarHBondContact O-N 3.4Å; E631-C635 WeakPolarHBondContact O-CB 3.24Å; E631-C635 PolarHBondContact O-N 3.37Å; E631-L644 HydrophobicContact CB-CD2 4.05Å; E631-F648 HydrophobicContact CB-CE2 4.28Å; E631-F648 HydrophobicContact CB-CZ 4.1Å
632L96.8Very high96.3Very high1 Ų130.5 Ų30.51%0.00516%0.156CC..Hα-helixtrans-71.1-38176.8-71.4168.2000112.8V628 V629 T630 R641 L644 L645 F648 L671 V676V628-L632 HydrophobicContact CG1-CD1 3.91Å; V628-L632 WeakPolarHBondContact O-CB 3.45Å; V628-L632 WeakPolarHBondContact O-CD1 3.47Å; V628-L632 WeakPolarHBondContact O-CG 3.36Å; V628-L632 PolarHBondContact O-N 3.44Å; V629-L632 PolarHBondContact O-N 3.04Å; T630-L632 VanDerWaalsContact C-N 3.35Å; T630-L632 PolarHBondContact O-N 2.9Å; L632-R641 HydrophobicContact CD2-CG 4.07Å; L632-R641 VanDerWaalsContact O-CD 3.24Å; L632-R641 WeakPolarHBondContact O-CD 3.35Å; L632-L644 HydrophobicContact CD2-CB 4.32Å; L632-L644 HydrophobicContact CD2-CD2 4Å; L632-L644 HydrophobicContact CD2-CG 4.01Å; L632-L644 HydrophobicContact CG-CD2 4.47Å; L632-L645 HydrophobicContact CD1-CD1 3.69Å; L632-L645 HydrophobicContact CD2-CB 3.91Å; L632-L645 HydrophobicContact CD2-CD1 4.1Å; L632-F648 HydrophobicContact CD1-CD2 4.19Å; L632-F648 HydrophobicContact CD1-CE2 4.4Å; L632-F648 HydrophobicContact CD2-CD2 4.39Å; L632-F648 HydrophobicContact CD2-CE2 4.43Å; L632-F648 HydrophobicContact CG-CD2 4.22Å; L632-F648 HydrophobicContact CG-CE2 4.05Å; L632-L671 HydrophobicContact CD1-CD2 4.12Å; L632-V676 HydrophobicContact CB-CG2 4.33Å; L632-V676 HydrophobicContact CD1-CB 4.49Å; L632-V676 HydrophobicContact CD1-CG1 3.65Å; L632-V676 HydrophobicContact CD1-CG2 3.95Å
633C96.5Very high96.3Very high1 Ų131.6 Ų31.61%0.00716%0.161CC..Hα-helixtrans-81.1-14.4-179.6-63.70000113.7V629 T630 L826 L829 I833V629-C633 VanDerWaalsContact O-CB 3.29Å; V629-C633 WeakPolarHBondContact O-CB 3.46Å; V629-C633 PolarHBondContact O-N 3.14Å; V629-C633 PolarHBondContact O-SG 2.89Å; T630-C633 PolarHBondContact O-N 2.6Å; C633-L826 HydrophobicContact CB-CD2 4.21Å; C633-L829 HydrophobicContact CB-CB 4.1Å; C633-L829 HydrophobicContact CB-CD1 4.47Å; C633-I833 WeakPolarHBondContact O-CD1 3.39Å
634L96.1Very high96.3Very high25 Ų2530.9 Ų30.913%0.13116%0.157CC..Hα-helixtrans-97.2-9.7173-68.1175.7000112.7P560 A563 T630 E636 I820 L829P560-L634 HydrophobicContact CG-CD1 4.25Å; A563-L634 HydrophobicContact CB-CB 3.68Å; T630-L634 HydrophobicContact CG2-CD1 3.66Å; T630-L634 HydrophobicContact CG2-CG 4.4Å; T630-L634 WeakPolarHBondContact O-CB 3.49Å; T630-L634 WeakPolarHBondContact O-CG 3.47Å; T630-L634 PolarHBondContact O-N 2.9Å; L634-E636 PolarHBondContact O-N 3.39Å; L634-I820 HydrophobicContact CD1-CD1 4.19Å; L634-I820 HydrophobicContact CD2-CD1 4.26Å; L634-I820 HydrophobicContact CG-CD1 4.33Å; L634-L829 HydrophobicContact CD2-CD1 3.8Å; L634-L829 HydrophobicContact CD2-CD2 4.4Å
635C95.3Very high96.3Very high7 Ų730.9 Ų30.95%0.04716%0.157CC..  trans-85.196.5178.3-169.70000110.7E631 R641 L644E631-C635 WeakPolarHBondContact O-CB 3.24Å; E631-C635 PolarHBondContact O-N 3.37Å; C635-R641 HydrophobicContact CB-CB 4.16Å; C635-R641 HydrophobicContact CB-CG 4.24Å; C635-R641 WeakPolarHBondContact O-CD 3.45Å; C635-R641 PolarHBondContact O-NH1 3.12Å; C635-L644 HydrophobicContact CB-CD2 4.35Å
636E92.7Very high96.3Very high169 Ų16934 Ų3479%0.7917%0.17SC*.  trans-68.4-38.8-177-62.3-177.3171.800113.1L634 L638 R641L634-E636 PolarHBondContact O-N 3.39Å; E636-L638 PolarHBondContact O-N 3.35Å; E636-R641 VanDerWaalsContact C-NH1 3.34Å; E636-R641 PolarHBondContact O-NH1 2.84Å
637D94.4Very high96.2Very high80 Ų8034.2 Ų34.243%0.42817%0.171SC..  trans-70.1121.2-178.5-178-80.6000112.2V639 K640 R641D637-V639 PolarHBondContact O-N 3.27Å; D637-V639 WeakPolarHBondContact OD1-CA 3.22Å; D637-V639 WeakPolarHBondContact OD1-CB 3.25Å; D637-V639 PolarHBondContact OD1-N 3.46Å; D637-K640 HydrophobicContact CB-CB 4.1Å; D637-K640 HydrophobicContact CB-CD 4.33Å; D637-K640 HydrophobicContact CB-CG 4.22Å; D637-K640 PolarHBondContact OD1-N 3.02Å; D637-R641 WeakPolarHBondContact O-CB 3.49Å; D637-R641 PolarHBondContact O-N 3.36Å; D637-R641 PolarHBondContact O-NH1 3.31Å
638L94.9Very high96.2Very high38 Ų3834.2 Ų34.220%0.19917%0.171CC..Hα-helixtrans-65.2-32.9-175.6176.662.1000113.6E636 A642 K681 T682 R685E636-L638 PolarHBondContact O-N 3.35Å; L638-A642 WeakPolarHBondContact O-CB 3.36Å; L638-A642 PolarHBondContact O-N 3.27Å; L638-A642 VanDerWaalsContact O-N 3.14Å; L638-K681 HydrophobicContact CD1-CB 4.07Å; L638-K681 HydrophobicContact CD2-CB 4.29Å; L638-T682 WeakPolarHBondContact CD1-OG1 3.25Å; L638-R685 VanDerWaalsContact CG-NH1 3.29Å
639V94.6Very high96.2Very high81 Ų8134.3 Ų34.349%0.49117%0.171SC..Hα-helixtrans-73.7-50179.5-178.50000109.9D637 R641 A642 I643D637-V639 PolarHBondContact O-N 3.27Å; D637-V639 WeakPolarHBondContact OD1-CA 3.22Å; D637-V639 WeakPolarHBondContact OD1-CB 3.25Å; D637-V639 PolarHBondContact OD1-N 3.46Å; V639-R641 VanDerWaalsContact C-N 3.29Å; V639-R641 PolarHBondContact O-N 2.89Å; V639-A642 PolarHBondContact O-N 3.2Å; V639-I643 HydrophobicContact CG1-CD1 4.21Å; V639-I643 WeakPolarHBondContact O-CG1 3.33Å; V639-I643 PolarHBondContact O-N 2.64Å; V639-I643 VanDerWaalsContact O-N 3.07Å
640K94.9Very high96.2Very high83 Ų8340.5 Ų40.536%0.36120%0.198SC..Hα-helixtrans-58.5-42.5175.6-70.8-169.1171.9-165.30111D566 D637 A642 I643 L644D566-K640 IonicContact OD1-NZ 3.29Å; D566-K640 PolarHBondContact OD1-NZ 3.1Å; D637-K640 HydrophobicContact CB-CB 4.1Å; D637-K640 HydrophobicContact CB-CD 4.33Å; D637-K640 HydrophobicContact CB-CG 4.22Å; D637-K640 PolarHBondContact OD1-N 3.02Å; K640-A642 PolarHBondContact O-N 3.34Å; K640-I643 WeakPolarHBondContact O-CB 3.4Å; K640-I643 PolarHBondContact O-N 2.74Å; K640-L644 WeakPolarHBondContact O-CB 3.48Å; K640-L644 PolarHBondContact O-N 3.47Å
641R96.4Very high96.3Very high3 Ų340.5 Ų40.51%0.01120%0.198CC..Hα-helixtrans-63.1-40.5178-169.4172.356.4-1036.9112.6L632 C635 E636 D637 V639 L644 L645 T682 I833 E834L632-R641 HydrophobicContact CD2-CG 4.07Å; L632-R641 VanDerWaalsContact O-CD 3.24Å; L632-R641 WeakPolarHBondContact O-CD 3.35Å; C635-R641 HydrophobicContact CB-CB 4.16Å; C635-R641 HydrophobicContact CB-CG 4.24Å; C635-R641 WeakPolarHBondContact O-CD 3.45Å; C635-R641 PolarHBondContact O-NH1 3.12Å; E636-R641 VanDerWaalsContact C-NH1 3.34Å; E636-R641 PolarHBondContact O-NH1 2.84Å; D637-R641 WeakPolarHBondContact O-CB 3.49Å; D637-R641 PolarHBondContact O-N 3.36Å; D637-R641 PolarHBondContact O-NH1 3.31Å; V639-R641 VanDerWaalsContact C-N 3.29Å; V639-R641 PolarHBondContact O-N 2.89Å; R641-L644 PolarHBondContact O-N 3.38Å; R641-L645 WeakPolarHBondContact O-CB 3.46Å; R641-L645 PolarHBondContact O-N 3.25Å; R641-T682 HydrophobicContact CB-CG2 4.37Å; R641-T682 HydrophobicContact CG-CG2 3.87Å; R641-T682 PolarHBondContact NE-OG1 3.35Å; R641-T682 PolarHBondContact NH2-OG1 3.24Å; R641-I833 VanDerWaalsContact NH1-CG2 3.27Å; R641-I833 VanDerWaalsContact NH2-CG2 3.34Å; R641-E834 IonicContact CZ-OE1 2.71Å; R641-E834 IonicContact NE-OE1 3.76Å; R641-E834 IonicContact NH2-OE1 3.61Å; R641-E834 PolarHBondContact NH2-OE1 3.45Å
642A96.2Very high96.3Very high11 Ų1140.3 Ų40.39%0.09120%0.197CC..Hα-helixtrans-65.5-37.6174.700000112.5L638 V639 K640 K646 T682 R685L638-A642 WeakPolarHBondContact O-CB 3.36Å; L638-A642 PolarHBondContact O-N 3.27Å; L638-A642 VanDerWaalsContact O-N 3.14Å; V639-A642 PolarHBondContact O-N 3.2Å; K640-A642 PolarHBondContact O-N 3.34Å; A642-K646 WeakPolarHBondContact O-CB 3.2Å; A642-K646 PolarHBondContact O-N 3.31Å; A642-T682 HydrophobicContact CB-CG2 4.31Å; A642-R685 HydrophobicContact CB-CB 3.89Å
643I95.3Very high96.3Very high79 Ų7941.1 Ų41.141%0.40520%0.203SC..Hα-helixtrans-63.7-44.6173.3-67.1167.2000110.4V639 K640 K646 K647V639-I643 HydrophobicContact CG1-CD1 4.21Å; V639-I643 WeakPolarHBondContact O-CG1 3.33Å; V639-I643 PolarHBondContact O-N 2.64Å; V639-I643 VanDerWaalsContact O-N 3.07Å; K640-I643 WeakPolarHBondContact O-CB 3.4Å; K640-I643 PolarHBondContact O-N 2.74Å; I643-K646 PolarHBondContact O-N 3.06Å; I643-K647 WeakPolarHBondContact O-CB 3.43Å; I643-K647 PolarHBondContact O-N 3Å
644L96.8Very high96.3Very high5 Ų541.9 Ų41.93%0.02621%0.207CC..Hα-helixtrans-63.1-44.9177.9-178.362.8000111.9T565 I568 E631 L632 C635 K640 R641 K646 K647 F648T565-L644 HydrophobicContact CG2-CD2 4.08Å; I568-L644 HydrophobicContact CB-CD1 4.46Å; I568-L644 HydrophobicContact CD1-CD1 4.29Å; I568-L644 HydrophobicContact CG2-CD1 3.95Å; E631-L644 HydrophobicContact CB-CD2 4.05Å; L632-L644 HydrophobicContact CD2-CB 4.32Å; L632-L644 HydrophobicContact CD2-CD2 4Å; L632-L644 HydrophobicContact CD2-CG 4.01Å; L632-L644 HydrophobicContact CG-CD2 4.47Å; C635-L644 HydrophobicContact CB-CD2 4.35Å; K640-L644 WeakPolarHBondContact O-CB 3.48Å; K640-L644 PolarHBondContact O-N 3.47Å; R641-L644 PolarHBondContact O-N 3.38Å; L644-K646 PolarHBondContact O-N 2.97Å; L644-K647 WeakPolarHBondContact O-CA 3.46Å; L644-K647 VanDerWaalsContact O-CB 3.27Å; L644-K647 WeakPolarHBondContact O-CB 3.48Å; L644-K647 PolarHBondContact O-N 3.48Å; L644-F648 HydrophobicContact CD1-CD2 4.24Å; L644-F648 HydrophobicContact CD1-CE2 3.66Å; L644-F648 HydrophobicContact CD1-CZ 4.08Å; L644-F648 HydrophobicContact CD2-CE2 4.15Å; L644-F648 HydrophobicContact CG-CD2 4.08Å; L644-F648 HydrophobicContact CG-CE2 3.62Å; L644-F648 HydrophobicContact CG-CZ 4.48Å; L644-F648 WeakPolarHBondContact O-CD2 3.36Å; L644-F648 PolarHBondContact O-N 3.07Å
645L97.2Very high96.4Very high1 Ų140.7 Ų40.71%0.00520%0.201CC..Hα-helixtrans-60.1-45.9176-174.772.3000111.3L632 R641 K647 F648 I649 L671 V676 T682 W683 I686L632-L645 HydrophobicContact CD1-CD1 3.69Å; L632-L645 HydrophobicContact CD2-CB 3.91Å; L632-L645 HydrophobicContact CD2-CD1 4.1Å; R641-L645 WeakPolarHBondContact O-CB 3.46Å; R641-L645 PolarHBondContact O-N 3.25Å; L645-K647 VanDerWaalsContact C-N 3.26Å; L645-K647 PolarHBondContact O-N 2.8Å; L645-F648 PolarHBondContact O-N 3.07Å; L645-I649 WeakPolarHBondContact O-CG1 3.41Å; L645-I649 PolarHBondContact O-N 3.38Å; L645-L671 HydrophobicContact CD1-CD2 3.5Å; L645-V676 HydrophobicContact CD1-CG1 3.99Å; L645-T682 HydrophobicContact CB-CG2 4.35Å; L645-T682 HydrophobicContact CD2-CG2 3.74Å; L645-W683 HydrophobicContact CD1-CH2 3.98Å; L645-W683 HydrophobicContact CD1-CZ2 3.83Å; L645-W683 HydrophobicContact CD2-CD2 3.67Å; L645-W683 HydrophobicContact CD2-CE3 3.77Å; L645-W683 HydrophobicContact CD2-CG 4.2Å; L645-W683 HydrophobicContact CD2-CH2 4.2Å; L645-W683 HydrophobicContact CD2-CZ2 4.09Å; L645-W683 HydrophobicContact CD2-CZ3 4.04Å; L645-W683 HydrophobicContact CG-CH2 4.35Å; L645-W683 HydrophobicContact CG-CZ2 4.46Å; L645-W683 HydrophobicContact CG-CZ3 4.43Å; L645-I686 HydrophobicContact CB-CD1 3.79Å; L645-I686 HydrophobicContact CD2-CD1 3.2Å; L645-I686 HydrophobicContact CD2-CG1 4.01Å; L645-I686 HydrophobicContact CG-CD1 3.37Å
646K97.1Very high96.4Very high100 Ų10044.5 Ų44.544%0.43522%0.217SC..Hα-helixtrans-59.4-37.5171.6175.6-178.1177.7-173.30112A642 I643 L644 I649 K650 I686 T690A642-K646 WeakPolarHBondContact O-CB 3.2Å; A642-K646 PolarHBondContact O-N 3.31Å; I643-K646 PolarHBondContact O-N 3.06Å; L644-K646 PolarHBondContact O-N 2.97Å; K646-I649 PolarHBondContact O-N 3.25Å; K646-K650 PolarHBondContact O-N 3.12Å; K646-I686 HydrophobicContact CB-CD1 4.44Å; K646-T690 HydrophobicContact CG-CG2 4.19Å
647K96.9Very high96.4Very high29 Ų2943.4 Ų43.413%0.12621%0.212CC..Hα-helixtrans-66.3-41.4-179.9-168.8166.2-172.7148.40112.1I568 E569 M571 I643 L644 L645 K650 I651I568-K647 HydrophobicContact CG2-CD 4.06Å; I568-K647 WeakPolarHBondContact O-CE 3.42Å; I568-K647 PolarHBondContact O-NZ 3.25Å; E569-K647 PolarHBondContact O-NZ 3.49Å; M571-K647 VanDerWaalsContact O-CE 3.29Å; M571-K647 WeakPolarHBondContact O-CE 3.1Å; M571-K647 PolarHBondContact O-NZ 3.4Å; I643-K647 WeakPolarHBondContact O-CB 3.43Å; I643-K647 PolarHBondContact O-N 3Å; L644-K647 WeakPolarHBondContact O-CA 3.46Å; L644-K647 VanDerWaalsContact O-CB 3.27Å; L644-K647 WeakPolarHBondContact O-CB 3.48Å; L644-K647 PolarHBondContact O-N 3.48Å; L645-K647 VanDerWaalsContact C-N 3.26Å; L645-K647 PolarHBondContact O-N 2.8Å; K647-K650 WeakPolarHBondContact O-CB 3.27Å; K647-K650 PolarHBondContact O-N 3.12Å; K647-I651 HydrophobicContact CG-CD1 4.35Å; K647-I651 WeakPolarHBondContact O-CG1 3.42Å; K647-I651 PolarHBondContact O-N 2.92Å
648F98.4Very high96.4Very high1 Ų141.3 Ų41.30%0.00420%0.199CC..Hα-helixtrans-63.4-41.4174.2-75.6-58.3000112.7W627 V628 E631 L632 L644 L645 K650 I651 A652 V667 L671W627-F648 HydrophobicContact CD2-CE1 4.2Å; W627-F648 AromaticContact CE3-CE1 3.97Å; W627-F648 HydrophobicContact CE3-CE1 3.97Å; W627-F648 HydrophobicContact CH2-CD1 4.33Å; W627-F648 AromaticContact CH2-CE1 3.54Å; W627-F648 HydrophobicContact CH2-CE1 3.54Å; W627-F648 HydrophobicContact CH2-CZ 4.46Å; W627-F648 AromaticContact CZ2-CE1 3.75Å; W627-F648 HydrophobicContact CZ2-CE1 3.75Å; W627-F648 HydrophobicContact CZ2-CZ 4.25Å; W627-F648 HydrophobicContact CZ3-CD1 4.3Å; W627-F648 AromaticContact CZ3-CE1 3.66Å; W627-F648 HydrophobicContact CZ3-CE1 3.66Å; V628-F648 HydrophobicContact CB-CE1 4.37Å; V628-F648 HydrophobicContact CB-CZ 4.4Å; V628-F648 HydrophobicContact CG1-CD1 4.34Å; V628-F648 HydrophobicContact CG1-CD2 3.97Å; V628-F648 HydrophobicContact CG1-CE2 4.19Å; V628-F648 HydrophobicContact CG1-CG 4.05Å; V628-F648 HydrophobicContact CG1-CZ 4.49Å; V628-F648 HydrophobicContact CG2-CD1 3.76Å; V628-F648 HydrophobicContact CG2-CE1 3.75Å; V628-F648 HydrophobicContact CG2-CG 4.29Å; V628-F648 HydrophobicContact CG2-CZ 4.27Å; E631-F648 HydrophobicContact CB-CE2 4.28Å; E631-F648 HydrophobicContact CB-CZ 4.1Å; L632-F648 HydrophobicContact CD1-CD2 4.19Å; L632-F648 HydrophobicContact CD1-CE2 4.4Å; L632-F648 HydrophobicContact CD2-CD2 4.39Å; L632-F648 HydrophobicContact CD2-CE2 4.43Å; L632-F648 HydrophobicContact CG-CD2 4.22Å; L632-F648 HydrophobicContact CG-CE2 4.05Å; L644-F648 HydrophobicContact CD1-CD2 4.24Å; L644-F648 HydrophobicContact CD1-CE2 3.66Å; L644-F648 HydrophobicContact CD1-CZ 4.08Å; L644-F648 HydrophobicContact CD2-CE2 4.15Å; L644-F648 HydrophobicContact CG-CD2 4.08Å; L644-F648 HydrophobicContact CG-CE2 3.62Å; L644-F648 HydrophobicContact CG-CZ 4.48Å; L644-F648 WeakPolarHBondContact O-CD2 3.36Å; L644-F648 PolarHBondContact O-N 3.07Å; L645-F648 PolarHBondContact O-N 3.07Å; F648-K650 VanDerWaalsContact C-N 3.25Å; F648-K650 PolarHBondContact O-N 3.14Å; F648-I651 HydrophobicContact CD1-CD1 4.1Å; F648-I651 WeakPolarHBondContact O-CB 3.46Å; F648-I651 PolarHBondContact O-N 3.38Å; F648-I651 VanDerWaalsContact O-N 3.14Å; F648-A652 PolarHBondContact O-N 3.4Å; F648-V667 HydrophobicContact CB-CG1 4.22Å; F648-L671 HydrophobicContact CB-CD1 4.48Å; F648-L671 HydrophobicContact CB-CD2 3.99Å
649I97.9Very high96.4Very high3 Ų343.8 Ų43.82%0.01521%0.206CC..Hα-helixtrans-61.3-37.7174.4-63.3164.8000110.8L645 K646 A652 S653 L671 W683 I686 T690 I693 Y694L645-I649 WeakPolarHBondContact O-CG1 3.41Å; L645-I649 PolarHBondContact O-N 3.38Å; K646-I649 PolarHBondContact O-N 3.25Å; I649-A652 PolarHBondContact O-N 3.38Å; I649-S653 PolarHBondContact O-N 3.37Å; I649-S653 PolarHBondContact O-OG 2.96Å; I649-L671 HydrophobicContact CG1-CD1 3.75Å; I649-W683 HydrophobicContact CD1-CZ3 4.23Å; I649-I686 HydrophobicContact CD1-CD1 4.09Å; I649-T690 HydrophobicContact CB-CG2 4.04Å; I649-T690 HydrophobicContact CD1-CG2 3.63Å; I649-T690 HydrophobicContact CG1-CG2 4.44Å; I649-T690 HydrophobicContact CG2-CG2 3.83Å; I649-I693 HydrophobicContact CG2-CG2 4.04Å; I649-Y694 HydrophobicContact CD1-CG 4.48Å; I649-Y694 HydrophobicContact CG1-CD2 4.39Å
650K97.6Very high96.5Very high129 Ų12939.9 Ų39.956%0.56118%0.183SC*.Hα-helixtrans-67.7-40.1174.2-171.2175.1178-178.30112.5K646 K647 F648 S653 V654K646-K650 PolarHBondContact O-N 3.12Å; K647-K650 WeakPolarHBondContact O-CB 3.27Å; K647-K650 PolarHBondContact O-N 3.12Å; F648-K650 VanDerWaalsContact C-N 3.25Å; F648-K650 PolarHBondContact O-N 3.14Å; K650-S653 WeakPolarHBondContact O-CB 3.41Å; K650-S653 PolarHBondContact O-N 2.9Å; K650-V654 WeakPolarHBondContact O-CG2 3.38Å; K650-V654 PolarHBondContact O-N 2.83Å; K650-V654 VanDerWaalsContact O-N 3.16Å
651I98.3Very high96.6Very high0 Ų036.7 Ų36.70%017%0.169CC..Hα-helixtrans-60.3-47.7173.9-69.3163.5000109.9I576 A577 L580 W627 K647 F648 S653 V654 L655I576-I651 HydrophobicContact CB-CD1 4.39Å; I576-I651 HydrophobicContact CD1-CD1 4.02Å; I576-I651 HydrophobicContact CG2-CD1 4.02Å; I576-I651 HydrophobicContact CG2-CG1 4.46Å; I576-I651 HydrophobicContact CG2-CG2 4.49Å; A577-I651 HydrophobicContact CB-CG2 4.34Å; L580-I651 HydrophobicContact CD1-CG2 4.29Å; W627-I651 HydrophobicContact CH2-CD1 4.32Å; K647-I651 HydrophobicContact CG-CD1 4.35Å; K647-I651 WeakPolarHBondContact O-CG1 3.42Å; K647-I651 PolarHBondContact O-N 2.92Å; F648-I651 HydrophobicContact CD1-CD1 4.1Å; F648-I651 WeakPolarHBondContact O-CB 3.46Å; F648-I651 PolarHBondContact O-N 3.38Å; F648-I651 VanDerWaalsContact O-N 3.14Å; I651-S653 VanDerWaalsContact C-N 3.29Å; I651-S653 PolarHBondContact O-N 2.88Å; I651-V654 PolarHBondContact O-N 2.83Å; I651-V654 VanDerWaalsContact O-N 3.17Å; I651-L655 HydrophobicContact CG2-CD1 3.76Å; I651-L655 HydrophobicContact CG2-CG 4.27Å; I651-L655 WeakPolarHBondContact O-CG 3.49Å; I651-L655 PolarHBondContact O-N 3.47Å
652A98.1Very high96.6Very high0 Ų036.6 Ų36.60%017%0.169CC..Hα-helixtrans-57.1-41.9175.800000112.1F648 I649 V654 L655 K656 F664 V667 M668F648-A652 PolarHBondContact O-N 3.4Å; I649-A652 PolarHBondContact O-N 3.38Å; A652-V654 PolarHBondContact O-N 2.96Å; A652-L655 PolarHBondContact O-N 3.33Å; A652-K656 PolarHBondContact O-N 3.17Å; A652-F664 HydrophobicContact CB-CD2 3.95Å; A652-F664 HydrophobicContact CB-CE2 4.22Å; A652-F664 VanDerWaalsContact O-CD2 3.29Å; A652-F664 WeakPolarHBondContact O-CD2 3.47Å; A652-V667 HydrophobicContact CB-CB 4.44Å; A652-V667 HydrophobicContact CB-CG1 4Å; A652-M668 HydrophobicContact CB-SD 4.12Å
653S96.8Very high96.7Very high18 Ų1836 Ų3613%0.12617%0.165CC..Hα-helixtrans-57.9-47.6176.8-520000111.6I649 K650 I651 K656 E657 Y697I649-S653 PolarHBondContact O-N 3.37Å; I649-S653 PolarHBondContact O-OG 2.96Å; K650-S653 WeakPolarHBondContact O-CB 3.41Å; K650-S653 PolarHBondContact O-N 2.9Å; I651-S653 VanDerWaalsContact C-N 3.29Å; I651-S653 PolarHBondContact O-N 2.88Å; S653-K656 PolarHBondContact O-N 3.14Å; S653-E657 WeakPolarHBondContact O-CG 3.47Å; S653-E657 PolarHBondContact O-N 3.33Å; S653-Y697 WeakPolarHBondContact CA-OH 3.47Å; S653-Y697 WeakPolarHBondContact CB-OH 3.37Å; S653-Y697 WeakPolarHBondContact OG-CE2 3.46Å; S653-Y697 PolarHBondContact OG-OH 3.19Å
654V97.1Very high96.8Very high17 Ų1732.3 Ų32.310%0.10315%0.146CC..Hα-helixtrans-67.8-39.6179.2-179.40000111.7K574 A577 K650 I651 A652 K656 E657 Q658K574-V654 HydrophobicContact CG-CG1 4.34Å; A577-V654 HydrophobicContact CB-CB 3.72Å; A577-V654 HydrophobicContact CB-CG1 3.55Å; K650-V654 WeakPolarHBondContact O-CG2 3.38Å; K650-V654 PolarHBondContact O-N 2.83Å; K650-V654 VanDerWaalsContact O-N 3.16Å; I651-V654 PolarHBondContact O-N 2.83Å; I651-V654 VanDerWaalsContact O-N 3.17Å; A652-V654 PolarHBondContact O-N 2.96Å; V654-K656 VanDerWaalsContact C-N 3.31Å; V654-K656 PolarHBondContact O-N 2.99Å; V654-E657 WeakPolarHBondContact O-CB 3.16Å; V654-E657 PolarHBondContact O-N 2.91Å; V654-Q658 HydrophobicContact CG1-CG 4.29Å; V654-Q658 WeakPolarHBondContact O-CB 3.43Å; V654-Q658 WeakPolarHBondContact O-CG 3.4Å; V654-Q658 PolarHBondContact O-N 2.77Å
655L97.6Very high96.9Very high0 Ų032.2 Ų32.20%015%0.145CC..Hα-helixtrans-60.5-41.6176.5-71.4167.6000111.7A577 L580 T581 I651 A652 Q658 R659 N660 F664 V667A577-L655 HydrophobicContact CB-CD2 3.96Å; A577-L655 HydrophobicContact CB-CG 3.94Å; L580-L655 HydrophobicContact CB-CD2 4.13Å; L580-L655 HydrophobicContact CD1-CD1 4.36Å; T581-L655 WeakPolarHBondContact OG1-CD2 3.37Å; I651-L655 HydrophobicContact CG2-CD1 3.76Å; I651-L655 HydrophobicContact CG2-CG 4.27Å; I651-L655 WeakPolarHBondContact O-CG 3.49Å; I651-L655 PolarHBondContact O-N 3.47Å; A652-L655 PolarHBondContact O-N 3.33Å; L655-Q658 CarbonylContact O-C 3.46Å; L655-Q658 PolarHBondContact O-N 3.18Å; L655-R659 PolarHBondContact O-N 3.13Å; L655-N660 HydrophobicContact CD2-CB 4.32Å; L655-N660 PolarHBondContact O-N 2.64Å; L655-F664 HydrophobicContact CB-CB 4.02Å; L655-V667 HydrophobicContact CD1-CG2 4.08Å
656K94.9Very high96.9Very high87 Ų8732.2 Ų32.238%0.37815%0.145SC..Hα-helixtrans-64.4-42.3174.8-177.2174.1177.3-76.80111.9A652 S653 V654 Q658 R659 F664 Y697 L700A652-K656 PolarHBondContact O-N 3.17Å; S653-K656 PolarHBondContact O-N 3.14Å; V654-K656 VanDerWaalsContact C-N 3.31Å; V654-K656 PolarHBondContact O-N 2.99Å; K656-Q658 VanDerWaalsContact C-N 3.3Å; K656-Q658 PolarHBondContact O-N 3.17Å; K656-R659 PolarHBondContact O-N 2.75Å; K656-R659 VanDerWaalsContact O-N 3.11Å; K656-F664 HydrophobicContact CB-CD2 3.85Å; K656-F664 HydrophobicContact CB-CE2 4.12Å; K656-F664 HydrophobicContact CB-CG 4.28Å; K656-F664 HydrophobicContact CD-CE2 4.08Å; K656-F664 HydrophobicContact CD-CZ 4.16Å; K656-Y697 HydrophobicContact CD-CD1 4.12Å; K656-Y697 HydrophobicContact CD-CE1 3.69Å; K656-L700 HydrophobicContact CD-CD1 4.35Å
657E93.3Very high97Very high147 Ų14727.4 Ų27.469%0.68712%0.124SC*.Hα-helixtrans-61.2-38.9174.4-72.7169.8-169.300112.1S653 V654 R659S653-E657 WeakPolarHBondContact O-CG 3.47Å; S653-E657 PolarHBondContact O-N 3.33Å; V654-E657 WeakPolarHBondContact O-CB 3.16Å; V654-E657 PolarHBondContact O-N 2.91Å; E657-R659 PolarHBondContact O-N 3.08Å
658Q94Very high97Very high35 Ų3526 Ų2616%0.16412%0.118CC..THydrogen-bonded Turntrans-75.51.6175.9-70.1178.4-15.100113.7A577 T578 T581 V654 L655 K656 N660A577-Q658 PolarHBondContact O-OE1 3.3Å; T578-Q658 PolarHBondContact OG1-NE2 3.04Å; T581-Q658 HydrophobicContact CG2-CB 4.44Å; T581-Q658 PolarHBondContact OG1-OE1 3.07Å; V654-Q658 HydrophobicContact CG1-CG 4.29Å; V654-Q658 WeakPolarHBondContact O-CB 3.43Å; V654-Q658 WeakPolarHBondContact O-CG 3.4Å; V654-Q658 PolarHBondContact O-N 2.77Å; L655-Q658 CarbonylContact O-C 3.46Å; L655-Q658 PolarHBondContact O-N 3.18Å; K656-Q658 VanDerWaalsContact C-N 3.3Å; K656-Q658 PolarHBondContact O-N 3.17Å; Q658-N660 PolarHBondContact O-N 2.83Å
659R95.2Very high96.9Very high90 Ų9029.3 Ų29.334%0.3413%0.132SC..THydrogen-bonded Turntrans57.526-176.1-48.6180-179.1-176.30.6113.5L655 K656 E657 L661 S718 Y721 I722L655-R659 PolarHBondContact O-N 3.13Å; K656-R659 PolarHBondContact O-N 2.75Å; K656-R659 VanDerWaalsContact O-N 3.11Å; E657-R659 PolarHBondContact O-N 3.08Å; R659-L661 PolarHBondContact O-N 2.78Å; R659-S718 PolarHBondContact NH1-O 3.11Å; R659-S718 PolarHBondContact NH1-OG 3.13Å; R659-Y721 WeakPolarHBondContact O-CB 3.45Å; R659-I722 PolarHBondContact O-N 2.92Å
660N96.9Very high96.9Very high0 Ų029.1 Ų29.10%013%0.132CC..BIsolated β-bridgetrans-9181.7168.5-177.7-1.9000109.1T581 D584 L655 Q658 N662 S663 F664T581-N660 VanDerWaalsContact CA-ND2 3.33Å; T581-N660 WeakPolarHBondContact CA-ND2 3.39Å; T581-N660 HydrophobicContact CG2-CB 4Å; T581-N660 WeakPolarHBondContact OG1-CB 3.26Å; T581-N660 PolarHBondContact OG1-ND2 2.87Å; T581-N660 VanDerWaalsContact OG1-ND2 3.15Å; D584-N660 PolarHBondContact OD2-ND2 2.72Å; D584-N660 PolarHBondContact OD2-OD1 2.69Å; L655-N660 HydrophobicContact CD2-CB 4.32Å; L655-N660 PolarHBondContact O-N 2.64Å; Q658-N660 PolarHBondContact O-N 2.83Å; N660-N662 VanDerWaalsContact C-N 3.3Å; N660-N662 PolarHBondContact OD1-N 3.36Å; N660-S663 PolarHBondContact OD1-N 2.87Å; N660-S663 VanDerWaalsContact OD1-N 3.17Å; N660-F664 VanDerWaalsContact O-CB 3.27Å; N660-F664 WeakPolarHBondContact O-CB 3.35Å; N660-F664 PolarHBondContact O-N 3.39Å
661L96.5Very high96.9Very high15 Ų1523 Ų238%0.07911%0.105CC..Hα-helixtrans-71.7-28.6-178-54.8-178.1000111.4R659 F664 F665 Y710 V714 L717 I722R659-L661 PolarHBondContact O-N 2.78Å; L661-F664 PolarHBondContact O-N 2.75Å; L661-F665 HydrophobicContact CB-CD2 4.28Å; L661-F665 HydrophobicContact CB-CE2 4.26Å; L661-F665 WeakPolarHBondContact O-CD2 3.46Å; L661-F665 PolarHBondContact O-N 3.2Å; L661-Y710 HydrophobicContact CD1-CE2 3.85Å; L661-V714 HydrophobicContact CD1-CG2 3.55Å; L661-L717 HydrophobicContact CD1-CD1 3.87Å; L661-I722 VanDerWaalsContact CB-O 3.29Å; L661-I722 WeakPolarHBondContact CB-O 3.44Å; L661-I722 PolarHBondContact N-O 2.82Å
662N96.7Very high96.8Very high1 Ų124.6 Ų24.61%0.00512%0.116CC..Hα-helixtrans-59-58.6179.3-166.663000112.2F617 F621 N660 F665 A666 I722 P723 M725F617-N662 HydrophobicContact CZ-CB 4.38Å; F621-N662 WeakPolarHBondContact CD2-O 3.5Å; F621-N662 VanDerWaalsContact CE2-O 3.3Å; F621-N662 WeakPolarHBondContact CE2-O 3.34Å; N660-N662 VanDerWaalsContact C-N 3.3Å; N660-N662 PolarHBondContact OD1-N 3.36Å; N662-F665 PolarHBondContact O-N 3.08Å; N662-A666 PolarHBondContact O-N 3.14Å; N662-I722 HydrophobicContact CB-CG2 3.63Å; N662-P723 WeakPolarHBondContact CB-O 3.17Å; N662-M725 PolarHBondContact OD1-N 2.86Å
663S98.1Very high96.8Very high0 Ų025.5 Ų25.50%012%0.121CC..Hα-helixtrans-71.3-29.9177.9-85.40000113D584 N660 A666 V667D584-S663 VanDerWaalsContact OD2-CB 3.25Å; D584-S663 WeakPolarHBondContact OD2-CB 3.47Å; D584-S663 PolarHBondContact OD2-OG 2.77Å; N660-S663 PolarHBondContact OD1-N 2.87Å; N660-S663 VanDerWaalsContact OD1-N 3.17Å; S663-A666 PolarHBondContact O-N 3.42Å; S663-V667 WeakPolarHBondContact O-CG2 3.42Å; S663-V667 PolarHBondContact O-N 3.35Å
664F98.1Very high96.7Very high1 Ų128.1 Ų28.10%0.00414%0.139CC..Hα-helixtrans-55-52.4170.6162.7-101.3000110.9A652 L655 K656 N660 L661 V667 M668 Y697 L700A652-F664 HydrophobicContact CB-CD2 3.95Å; A652-F664 HydrophobicContact CB-CE2 4.22Å; A652-F664 VanDerWaalsContact O-CD2 3.29Å; A652-F664 WeakPolarHBondContact O-CD2 3.47Å; L655-F664 HydrophobicContact CB-CB 4.02Å; K656-F664 HydrophobicContact CB-CD2 3.85Å; K656-F664 HydrophobicContact CB-CE2 4.12Å; K656-F664 HydrophobicContact CB-CG 4.28Å; K656-F664 HydrophobicContact CD-CE2 4.08Å; K656-F664 HydrophobicContact CD-CZ 4.16Å; N660-F664 VanDerWaalsContact O-CB 3.27Å; N660-F664 WeakPolarHBondContact O-CB 3.35Å; N660-F664 PolarHBondContact O-N 3.39Å; L661-F664 PolarHBondContact O-N 2.75Å; F664-V667 PolarHBondContact O-N 2.9Å; F664-M668 HydrophobicContact CD2-CG 4.2Å; F664-M668 HydrophobicContact CE1-CG 4.31Å; F664-M668 HydrophobicContact CE2-CG 3.81Å; F664-M668 HydrophobicContact CE2-SD 4.33Å; F664-M668 HydrophobicContact CZ-CG 3.88Å; F664-M668 VanDerWaalsContact O-CG 3.3Å; F664-M668 WeakPolarHBondContact O-CG 3.41Å; F664-M668 PolarHBondContact O-N 2.86Å; F664-Y697 HydrophobicContact CE2-CD1 4.21Å; F664-Y697 AromaticContact CE2-CD2 3.66Å; F664-Y697 HydrophobicContact CE2-CD2 3.66Å; F664-Y697 HydrophobicContact CE2-CE2 4.11Å; F664-Y697 AromaticContact CE2-CG 3.71Å; F664-Y697 HydrophobicContact CE2-CG 3.71Å; F664-Y697 HydrophobicContact CZ-CD1 4.18Å; F664-Y697 HydrophobicContact CZ-CD2 4.24Å; F664-Y697 AromaticContact CZ-CG 3.81Å; F664-Y697 HydrophobicContact CZ-CG 3.81Å; F664-L700 HydrophobicContact CE1-CD1 4.12Å; F664-L700 HydrophobicContact CZ-CD1 4.08Å
665F97.6Very high96.7Very high3 Ų327.3 Ų27.31%0.01313%0.134CC..Hα-helixtrans-65.5-39.3177.4-80-68.2000111.6F621 L661 N662 V667 M668 F669 L700 M701 Y710 F724F621-F665 HydrophobicContact CE2-CB 4.15Å; L661-F665 HydrophobicContact CB-CD2 4.28Å; L661-F665 HydrophobicContact CB-CE2 4.26Å; L661-F665 WeakPolarHBondContact O-CD2 3.46Å; L661-F665 PolarHBondContact O-N 3.2Å; N662-F665 PolarHBondContact O-N 3.08Å; F665-V667 VanDerWaalsContact C-N 3.3Å; F665-V667 PolarHBondContact O-N 2.95Å; F665-M668 CarbonylContact O-C 3.58Å; F665-M668 PolarHBondContact O-N 2.97Å; F665-M668 VanDerWaalsContact O-N 3.1Å; F665-F669 HydrophobicContact CB-CD2 4.18Å; F665-F669 HydrophobicContact CB-CE2 4.11Å; F665-F669 HydrophobicContact CD1-CE2 4.31Å; F665-F669 WeakPolarHBondContact O-CD2 2.95Å; F665-F669 PolarHBondContact O-N 2.76Å; F665-L700 HydrophobicContact CE1-CB 4.16Å; F665-L700 HydrophobicContact CZ-CB 4.06Å; F665-M701 HydrophobicContact CD1-CG 3.77Å; F665-M701 HydrophobicContact CD1-SD 4.46Å; F665-M701 HydrophobicContact CE1-CB 4.43Å; F665-M701 HydrophobicContact CE1-CG 3.67Å; F665-Y710 AromaticContact CE2-CD2 3.45Å; F665-Y710 HydrophobicContact CE2-CD2 3.45Å; F665-Y710 VanDerWaalsContact CE2-CD2 3.45Å; F665-Y710 AromaticContact CE2-CE2 3.7Å; F665-Y710 HydrophobicContact CE2-CE2 3.7Å; F665-Y710 AromaticContact CZ-CD2 3.66Å; F665-Y710 HydrophobicContact CZ-CD2 3.66Å; F665-Y710 HydrophobicContact CZ-CE2 4.37Å; F665-Y710 HydrophobicContact CZ-CG 4.43Å; F665-F724 HydrophobicContact CB-CD2 3.72Å; F665-F724 HydrophobicContact CB-CE2 3.89Å; F665-F724 HydrophobicContact CB-CG 4.28Å; F665-F724 HydrophobicContact CD2-CB 3.62Å; F665-F724 HydrophobicContact CD2-CD1 4.09Å; F665-F724 AromaticContact CD2-CD2 3.89Å; F665-F724 HydrophobicContact CD2-CD2 3.89Å; F665-F724 AromaticContact CD2-CG 3.59Å; F665-F724 HydrophobicContact CD2-CG 3.59Å; F665-F724 HydrophobicContact CE2-CB 3.94Å; F665-F724 HydrophobicContact CE2-CD1 4.34Å; F665-F724 HydrophobicContact CE2-CG 4.14Å; F665-F724 HydrophobicContact CG-CB 4.49Å; F665-F724 HydrophobicContact CG-CD1 4.32Å; F665-F724 AromaticContact CG-CD2 3.95Å; F665-F724 HydrophobicContact CG-CD2 3.95Å; F665-F724 HydrophobicContact CG-CE2 4.33Å; F665-F724 AromaticContact CG-CG 4Å; F665-F724 HydrophobicContact CG-CG 4Å
666A98Very high96.6Very high0 Ų027.3 Ų27.30%013%0.134CC..Hα-helixtrans-54.7-46.9176.100000111.8F621 V624 Q625 N662 S663 F669 G670F621-A666 HydrophobicContact CD2-CB 3.67Å; F621-A666 HydrophobicContact CE2-CB 3.68Å; F621-A666 HydrophobicContact CG-CB 4.16Å; F621-A666 HydrophobicContact CZ-CB 4.17Å; V624-A666 HydrophobicContact CB-CB 3.86Å; V624-A666 HydrophobicContact CG1-CB 3.72Å; Q625-A666 WeakPolarHBondContact CA-O 3.11Å; N662-A666 PolarHBondContact O-N 3.14Å; S663-A666 PolarHBondContact O-N 3.42Å; A666-F669 PolarHBondContact O-N 3.05Å; A666-G670 PolarHBondContact O-N 3.14Å
667V98.6Very high96.6Very high0 Ų026.1 Ų26.10%013%0.13CC..Hα-helixtrans-63.8-44.7176173.80000111.3V624 V628 F648 A652 L655 S663 F664 F665 F669 G670 L671V624-V667 HydrophobicContact CG1-CG2 3.92Å; V628-V667 HydrophobicContact CG2-CB 4.33Å; V628-V667 HydrophobicContact CG2-CG1 4.13Å; V628-V667 HydrophobicContact CG2-CG2 4.19Å; F648-V667 HydrophobicContact CB-CG1 4.22Å; A652-V667 HydrophobicContact CB-CB 4.44Å; A652-V667 HydrophobicContact CB-CG1 4Å; L655-V667 HydrophobicContact CD1-CG2 4.08Å; S663-V667 WeakPolarHBondContact O-CG2 3.42Å; S663-V667 PolarHBondContact O-N 3.35Å; F664-V667 PolarHBondContact O-N 2.9Å; F665-V667 VanDerWaalsContact C-N 3.3Å; F665-V667 PolarHBondContact O-N 2.95Å; V667-F669 PolarHBondContact O-N 3.36Å; V667-G670 PolarHBondContact O-N 3.14Å; V667-L671 HydrophobicContact CG1-CD1 4.21Å; V667-L671 HydrophobicContact CG1-CG 4.47Å; V667-L671 WeakPolarHBondContact O-CG 3.07Å; V667-L671 PolarHBondContact O-N 2.77Å
668M97.6Very high96.7Very high0 Ų022.8 Ų22.80%011%0.111CC..Hα-helixtrans-64.6-38.2179.6-68.5-59.5-57.400113.1A652 F664 F665 G670 L671 S672 Y694 Y697 M701A652-M668 HydrophobicContact CB-SD 4.12Å; F664-M668 HydrophobicContact CD2-CG 4.2Å; F664-M668 HydrophobicContact CE1-CG 4.31Å; F664-M668 HydrophobicContact CE2-CG 3.81Å; F664-M668 HydrophobicContact CE2-SD 4.33Å; F664-M668 HydrophobicContact CZ-CG 3.88Å; F664-M668 VanDerWaalsContact O-CG 3.3Å; F664-M668 WeakPolarHBondContact O-CG 3.41Å; F664-M668 PolarHBondContact O-N 2.86Å; F665-M668 CarbonylContact O-C 3.58Å; F665-M668 PolarHBondContact O-N 2.97Å; F665-M668 VanDerWaalsContact O-N 3.1Å; M668-G670 VanDerWaalsContact C-N 3.33Å; M668-L671 PolarHBondContact O-N 2.72Å; M668-L671 HydrophobicContact SD-CD1 4.14Å; M668-S672 WeakPolarHBondContact O-CB 3.27Å; M668-S672 PolarHBondContact O-N 3.28Å; M668-S672 PolarHBondContact O-OG 3.24Å; M668-Y694 HydrophobicContact CE-CD2 3.49Å; M668-Y694 VanDerWaalsContact CE-CD2 3.49Å; M668-Y694 HydrophobicContact CE-CE2 3.42Å; M668-Y694 VanDerWaalsContact CE-CE2 3.42Å; M668-Y694 HydrophobicContact CE-CG 4.49Å; M668-Y694 HydrophobicContact SD-CD2 4.24Å; M668-Y694 HydrophobicContact SD-CE2 4.39Å; M668-Y697 VanDerWaalsContact CE-CB 3.44Å; M668-Y697 HydrophobicContact SD-CD2 4.04Å; M668-Y697 HydrophobicContact SD-CG 4.42Å; M668-M701 HydrophobicContact CB-CE 4.39Å; M668-M701 HydrophobicContact CB-SD 3.58Å; M668-M701 VanDerWaalsContact CB-SD 3.58Å; M668-M701 HydrophobicContact CE-CE 4.41Å
669F96.9Very high96.7Very high69 Ų6921.2 Ų21.230%0.30310%0.104SC..Hα-helixtrans-66.3-35.4172.4-81.3-67.6000112.1F621 Q625 F665 A666 V667 S672 N673 M701 F724F621-F669 AromaticContact CZ-CD2 3.73Å; F621-F669 HydrophobicContact CZ-CD2 3.73Å; F621-F669 HydrophobicContact CZ-CE2 4.21Å; Q625-F669 HydrophobicContact CG-CB 3.9Å; F665-F669 HydrophobicContact CB-CD2 4.18Å; F665-F669 HydrophobicContact CB-CE2 4.11Å; F665-F669 HydrophobicContact CD1-CE2 4.31Å; F665-F669 WeakPolarHBondContact O-CD2 2.95Å; F665-F669 PolarHBondContact O-N 2.76Å; A666-F669 PolarHBondContact O-N 3.05Å; V667-F669 PolarHBondContact O-N 3.36Å; F669-S672 PolarHBondContact O-N 3.37Å; F669-N673 PolarHBondContact O-N 3.04Å; F669-N673 VanDerWaalsContact O-N 3.11Å; F669-M701 HydrophobicContact CD1-SD 4.48Å; F669-M701 HydrophobicContact CE1-SD 4.47Å; F669-F724 HydrophobicContact CD2-CZ 4.48Å; F669-F724 HydrophobicContact CE2-CE1 4.19Å; F669-F724 AromaticContact CE2-CE2 3.81Å; F669-F724 HydrophobicContact CE2-CE2 3.81Å; F669-F724 AromaticContact CE2-CZ 3.4Å; F669-F724 HydrophobicContact CE2-CZ 3.4Å; F669-F724 VanDerWaalsContact CE2-CZ 3.4Å; F669-F724 HydrophobicContact CZ-CE1 4.45Å; F669-F724 AromaticContact CZ-CZ 3.9Å; F669-F724 HydrophobicContact CZ-CZ 3.9Å
670G97.7Very high96.6Very high0 Ų025.5 Ų25.50%012%0.121CC..Hα-helixtrans-62-47.4171.700000111.9Q625 V629 A666 V667 M668 S672 N673Q625-G670 WeakPolarHBondContact O-CA 3.15Å; V629-G670 WeakPolarHBondContact CG2-O 3.48Å; A666-G670 PolarHBondContact O-N 3.14Å; V667-G670 PolarHBondContact O-N 3.14Å; M668-G670 VanDerWaalsContact C-N 3.33Å; G670-S672 VanDerWaalsContact C-N 3.29Å; G670-S672 PolarHBondContact O-N 2.79Å; G670-N673 VanDerWaalsContact O-CB 3.25Å; G670-N673 WeakPolarHBondContact O-CB 3.24Å; G670-N673 PolarHBondContact O-N 2.97Å
671L97.9Very high96.5Very high0 Ų031 Ų310%015%0.145CC..Hα-helixtrans-64-33.5176.9-67.5174.7000113V628 L632 L645 F648 I649 V667 M668 N673 Q677 Y694V628-L671 HydrophobicContact CG1-CD2 3.87Å; V628-L671 HydrophobicContact CG1-CG 4.1Å; L632-L671 HydrophobicContact CD1-CD2 4.12Å; L645-L671 HydrophobicContact CD1-CD2 3.5Å; F648-L671 HydrophobicContact CB-CD1 4.48Å; F648-L671 HydrophobicContact CB-CD2 3.99Å; I649-L671 HydrophobicContact CG1-CD1 3.75Å; V667-L671 HydrophobicContact CG1-CD1 4.21Å; V667-L671 HydrophobicContact CG1-CG 4.47Å; V667-L671 WeakPolarHBondContact O-CG 3.07Å; V667-L671 PolarHBondContact O-N 2.77Å; M668-L671 PolarHBondContact O-N 2.72Å; M668-L671 HydrophobicContact SD-CD1 4.14Å; L671-N673 VanDerWaalsContact C-N 3.3Å; L671-Q677 PolarHBondContact O-NE2 3.07Å; L671-Y694 HydrophobicContact CB-CD2 4.47Å; L671-Y694 HydrophobicContact CB-CE2 3.71Å; L671-Y694 HydrophobicContact CD1-CD2 4.04Å; L671-Y694 HydrophobicContact CD1-CE2 4.08Å
672S95.9Very high96.5Very high34 Ų3430.3 Ų30.324%0.23814%0.142CC..THydrogen-bonded Turntrans-87.10.4-178.9-45.60000113M668 F669 G670 Y694 M701M668-S672 WeakPolarHBondContact O-CB 3.27Å; M668-S672 PolarHBondContact O-N 3.28Å; M668-S672 PolarHBondContact O-OG 3.24Å; F669-S672 PolarHBondContact O-N 3.37Å; G670-S672 VanDerWaalsContact C-N 3.29Å; G670-S672 PolarHBondContact O-N 2.79Å; S672-Y694 PolarHBondContact OG-OH 3.48Å; S672-M701 WeakPolarHBondContact OG-CE 3.15Å
673N96.9Very high96.4Very high18 Ų1831.6 Ų31.610%0.09615%0.146CC..SBendtrans-61.5139.8175.1-172.7-69.5000110.5V629 F669 G670 L671 S675 V676 Q677 Q823V629-N673 HydrophobicContact CG1-CB 4.42Å; V629-N673 HydrophobicContact CG2-CB 3.62Å; F669-N673 PolarHBondContact O-N 3.04Å; F669-N673 VanDerWaalsContact O-N 3.11Å; G670-N673 VanDerWaalsContact O-CB 3.25Å; G670-N673 WeakPolarHBondContact O-CB 3.24Å; G670-N673 PolarHBondContact O-N 2.97Å; L671-N673 VanDerWaalsContact C-N 3.3Å; N673-S675 PolarHBondContact O-N 2.89Å; N673-S675 VanDerWaalsContact O-N 3.11Å; N673-S675 WeakPolarHBondContact OD1-CB 3.31Å; N673-S675 PolarHBondContact OD1-N 2.81Å; N673-S675 PolarHBondContact OD1-OG 3.14Å; N673-V676 HydrophobicContact CB-CG2 4.49Å; N673-V676 WeakPolarHBondContact O-CA 3.35Å; N673-V676 PolarHBondContact O-N 3.36Å; N673-Q677 PolarHBondContact O-N 3.05Å; N673-Q823 PolarHBondContact ND2-OE1 3.1Å; N673-Q823 PolarHBondContact OD1-NE2 3.46Å
674S95.5Very high96Very high74 Ų7438.5 Ų38.552%0.51718%0.179SC..Hα-helixtrans-53.3-33.1179.364.20000114.4V676 R678 Q823S674-V676 VanDerWaalsContact C-N 3.27Å; S674-V676 PolarHBondContact O-N 2.92Å; S674-R678 WeakPolarHBondContact O-CB 3.37Å; S674-R678 WeakPolarHBondContact O-CD 3.33Å; S674-R678 WeakPolarHBondContact O-CG 3.3Å; S674-R678 PolarHBondContact O-N 3.35Å; S674-Q823 PolarHBondContact OG-NE2 3.42Å
675S96.3Very high95.8Very high0 Ų044.9 Ų44.90%020%0.203CC..Hα-helixtrans-70.2-21.7176.4-590000113.1N673 Q823 T827 S830N673-S675 PolarHBondContact O-N 2.89Å; N673-S675 VanDerWaalsContact O-N 3.11Å; N673-S675 WeakPolarHBondContact OD1-CB 3.31Å; N673-S675 PolarHBondContact OD1-N 2.81Å; N673-S675 PolarHBondContact OD1-OG 3.14Å; S675-Q823 PolarHBondContact OG-NE2 2.97Å; S675-T827 WeakPolarHBondContact OG-CA 3.48Å; S675-T827 PolarHBondContact OG-N 3.21Å; S675-T827 PolarHBondContact OG-OG1 3.46Å; S675-S830 VanDerWaalsContact O-CB 3.24Å; S675-S830 WeakPolarHBondContact O-CB 3.48Å; S675-S830 PolarHBondContact O-OG 3.44Å
676V97.1Very high95.7Very high0 Ų045.1 Ų45.10%020%0.204CC..Hα-helixtrans-97.4-44.2177.4179.30000111V629 L632 L645 N673 S674 R678 L679 W683V629-V676 HydrophobicContact CB-CG2 4.34Å; V629-V676 HydrophobicContact CG1-CG2 3.99Å; V629-V676 HydrophobicContact CG2-CG2 4.25Å; L632-V676 HydrophobicContact CB-CG2 4.33Å; L632-V676 HydrophobicContact CD1-CB 4.49Å; L632-V676 HydrophobicContact CD1-CG1 3.65Å; L632-V676 HydrophobicContact CD1-CG2 3.95Å; L645-V676 HydrophobicContact CD1-CG1 3.99Å; N673-V676 HydrophobicContact CB-CG2 4.49Å; N673-V676 WeakPolarHBondContact O-CA 3.35Å; N673-V676 PolarHBondContact O-N 3.36Å; S674-V676 VanDerWaalsContact C-N 3.27Å; S674-V676 PolarHBondContact O-N 2.92Å; V676-R678 PolarHBondContact O-N 3.18Å; V676-L679 WeakPolarHBondContact O-CB 3.41Å; V676-L679 PolarHBondContact O-N 2.72Å; V676-L679 VanDerWaalsContact O-N 3.09Å; V676-W683 HydrophobicContact CG1-CZ2 4.04Å; V676-W683 PolarHBondContact O-NE1 3.33Å
677Q94.9Very high95.3Very high61 Ų6148 Ų4829%0.28522%0.223SC..Hα-helixtrans-59.6-30.6-178.5-75.7-61.9-46.800113.4L671 N673 L679 Y694L671-Q677 PolarHBondContact O-NE2 3.07Å; N673-Q677 PolarHBondContact O-N 3.05Å; Q677-L679 PolarHBondContact O-N 3.22Å; Q677-Y694 PolarHBondContact NE2-OH 3.07Å
678R94.3Very high94.6Very high77 Ų7751.1 Ų51.129%0.29125%0.245SC..THydrogen-bonded Turntrans-73.2-10.5178.776.5-171.2-42.5162.321.6115.3S674 V676 Y680 S830S674-R678 WeakPolarHBondContact O-CB 3.37Å; S674-R678 WeakPolarHBondContact O-CD 3.33Å; S674-R678 WeakPolarHBondContact O-CG 3.3Å; S674-R678 PolarHBondContact O-N 3.35Å; V676-R678 PolarHBondContact O-N 3.18Å; R678-Y680 WeakPolarHBondContact O-CD2 3.46Å; R678-Y680 WeakPolarHBondContact O-CE2 3.3Å; R678-Y680 PolarHBondContact O-N 3.34Å; R678-S830 WeakPolarHBondContact CD-OG 3.48Å; R678-S830 VanDerWaalsContact CG-OG 3.24Å; R678-S830 WeakPolarHBondContact CG-OG 3.49Å
679L94.6Very high93.9Very high2 Ų258 Ų581%0.0128%0.275CS..  trans-78.964-177.3-60.3175.5000110.8V676 Q677 K681 T682 W683 S830 E834V676-L679 WeakPolarHBondContact O-CB 3.41Å; V676-L679 PolarHBondContact O-N 2.72Å; V676-L679 VanDerWaalsContact O-N 3.09Å; Q677-L679 PolarHBondContact O-N 3.22Å; L679-K681 VanDerWaalsContact C-N 3.28Å; L679-K681 PolarHBondContact O-N 2.98Å; L679-T682 WeakPolarHBondContact O-CB 3.13Å; L679-T682 PolarHBondContact O-N 2.89Å; L679-W683 PolarHBondContact O-N 3.45Å; L679-S830 WeakPolarHBondContact CD2-OG 3.3Å; L679-E834 VanDerWaalsContact CA-OE2 3.24Å; L679-E834 WeakPolarHBondContact CA-OE2 3.11Å; L679-E834 HydrophobicContact CD2-CB 3.96Å; L679-E834 HydrophobicContact CD2-CG 4Å
680Y93.4Very high93.5Very high180 Ų18055.6 Ų55.671%0.70627%0.265SS*.Hα-helixtrans-56.7-39.1-171.3-63.9-71.8000112.9R678 T682 W683 E684 E834R678-Y680 WeakPolarHBondContact O-CD2 3.46Å; R678-Y680 WeakPolarHBondContact O-CE2 3.3Å; R678-Y680 PolarHBondContact O-N 3.34Å; Y680-T682 VanDerWaalsContact C-N 3.29Å; Y680-T682 PolarHBondContact O-N 3.29Å; Y680-W683 PolarHBondContact O-N 3.5Å; Y680-E684 WeakPolarHBondContact O-CB 3.33Å; Y680-E684 PolarHBondContact O-N 2.92Å; Y680-E834 PolarHBondContact N-OE2 3.21Å
681K94.5Very high92.9Very high115 Ų11559 Ų5950%0.528%0.28SS..Hα-helixtrans-67.5-34.3179.6-59.7174.7-178.8167.80110.9L638 L679 R685 E834L638-K681 HydrophobicContact CD1-CB 4.07Å; L638-K681 HydrophobicContact CD2-CB 4.29Å; L679-K681 VanDerWaalsContact C-N 3.28Å; L679-K681 PolarHBondContact O-N 2.98Å; K681-R685 PolarHBondContact O-N 3.44Å; K681-E834 WeakPolarHBondContact CB-OE2 3.19Å; K681-E834 HydrophobicContact CD-CG 4.48Å; K681-E834 PolarHBondContact N-OE2 3.25Å
682T95.8Very high92.1Very high1 Ų164.8 Ų64.81%0.00630%0.302CS..Hα-helixtrans-68.5-48.6175.1-56.70000111.2L638 R641 A642 L645 L679 Y680 E684 R685 E834L638-T682 WeakPolarHBondContact CD1-OG1 3.25Å; R641-T682 HydrophobicContact CB-CG2 4.37Å; R641-T682 HydrophobicContact CG-CG2 3.87Å; R641-T682 PolarHBondContact NE-OG1 3.35Å; R641-T682 PolarHBondContact NH2-OG1 3.24Å; A642-T682 HydrophobicContact CB-CG2 4.31Å; L645-T682 HydrophobicContact CB-CG2 4.35Å; L645-T682 HydrophobicContact CD2-CG2 3.74Å; L679-T682 WeakPolarHBondContact O-CB 3.13Å; L679-T682 PolarHBondContact O-N 2.89Å; Y680-T682 VanDerWaalsContact C-N 3.29Å; Y680-T682 PolarHBondContact O-N 3.29Å; T682-E684 VanDerWaalsContact C-N 3.3Å; T682-E684 PolarHBondContact O-N 3.39Å; T682-R685 PolarHBondContact O-N 2.97Å; T682-E834 PolarHBondContact N-OE1 3.39Å; T682-E834 PolarHBondContact OG1-OE1 3.03Å
683W93.7Very high91.6Very high28 Ų2865.7 Ų65.711%0.10630%0.304CS..Hα-helixtrans-61.5-39.7177.8-75.4105.3000111.5L645 I649 V676 L679 Y680 R685 I686 K691 Y694L645-W683 HydrophobicContact CD1-CH2 3.98Å; L645-W683 HydrophobicContact CD1-CZ2 3.83Å; L645-W683 HydrophobicContact CD2-CD2 3.67Å; L645-W683 HydrophobicContact CD2-CE3 3.77Å; L645-W683 HydrophobicContact CD2-CG 4.2Å; L645-W683 HydrophobicContact CD2-CH2 4.2Å; L645-W683 HydrophobicContact CD2-CZ2 4.09Å; L645-W683 HydrophobicContact CD2-CZ3 4.04Å; L645-W683 HydrophobicContact CG-CH2 4.35Å; L645-W683 HydrophobicContact CG-CZ2 4.46Å; L645-W683 HydrophobicContact CG-CZ3 4.43Å; I649-W683 HydrophobicContact CD1-CZ3 4.23Å; V676-W683 HydrophobicContact CG1-CZ2 4.04Å; V676-W683 PolarHBondContact O-NE1 3.33Å; L679-W683 PolarHBondContact O-N 3.45Å; Y680-W683 PolarHBondContact O-N 3.5Å; W683-R685 VanDerWaalsContact C-N 3.29Å; W683-R685 PolarHBondContact O-N 3.12Å; W683-I686 HydrophobicContact CE3-CD1 4.47Å; W683-I686 PolarHBondContact O-N 2.97Å; W683-I686 VanDerWaalsContact O-N 3.17Å; W683-K691 WeakPolarHBondContact O-CE 3.19Å; W683-K691 PolarHBondContact O-NZ 3.04Å; W683-K691 VanDerWaalsContact O-NZ 3.13Å; W683-Y694 HydrophobicContact CH2-CD1 4.1Å; W683-Y694 HydrophobicContact CH2-CD2 4.17Å; W683-Y694 AromaticContact CH2-CE1 3.94Å; W683-Y694 HydrophobicContact CH2-CE1 3.94Å; W683-Y694 HydrophobicContact CH2-CE2 4.04Å; W683-Y694 HydrophobicContact CH2-CG 4.21Å; W683-Y694 AromaticContact CH2-CZ 3.93Å; W683-Y694 AromaticContact CZ3-CD1 3.93Å; W683-Y694 HydrophobicContact CZ3-CD1 3.93Å; W683-Y694 HydrophobicContact CZ3-CD2 4.48Å; W683-Y694 HydrophobicContact CZ3-CE1 4.17Å; W683-Y694 HydrophobicContact CZ3-CG 4.11Å
684E91.6Very high91.3Very high145 Ų14565.3 Ų65.368%0.67830%0.301SS*.Hα-helixtrans-55.2-43.8178.1-169.6176.9-164.900112.1Y680 T682 I686 K691Y680-E684 WeakPolarHBondContact O-CB 3.33Å; Y680-E684 PolarHBondContact O-N 2.92Å; T682-E684 VanDerWaalsContact C-N 3.3Å; T682-E684 PolarHBondContact O-N 3.39Å; E684-I686 PolarHBondContact O-N 2.84Å; E684-K691 PolarHBondContact O-NZ 3.21Å
685R94Very high90.8Very high136 Ų13664.3 Ų64.351%0.51329%0.294SS..THydrogen-bonded Turntrans-70-10.6-178.4-72.5-172.6176.7-171.7-1.4115.4L638 A642 K681 T682 W683L638-R685 VanDerWaalsContact CG-NH1 3.29Å; A642-R685 HydrophobicContact CB-CB 3.89Å; K681-R685 PolarHBondContact O-N 3.44Å; T682-R685 PolarHBondContact O-N 2.97Å; W683-R685 VanDerWaalsContact C-N 3.29Å; W683-R685 PolarHBondContact O-N 3.12Å
686I94.1Very high90.1Very high7 Ų766.3 Ų66.34%0.03631%0.31CS..SBendtrans-75138.1177.3-70-160.8000111.2L645 K646 I649 W683 E684 S688 T690 K691L645-I686 HydrophobicContact CB-CD1 3.79Å; L645-I686 HydrophobicContact CD2-CD1 3.2Å; L645-I686 HydrophobicContact CD2-CG1 4.01Å; L645-I686 HydrophobicContact CG-CD1 3.37Å; K646-I686 HydrophobicContact CB-CD1 4.44Å; I649-I686 HydrophobicContact CD1-CD1 4.09Å; W683-I686 HydrophobicContact CE3-CD1 4.47Å; W683-I686 PolarHBondContact O-N 2.97Å; W683-I686 VanDerWaalsContact O-N 3.17Å; E684-I686 PolarHBondContact O-N 2.84Å; I686-S688 PolarHBondContact O-N 3.12Å; I686-T690 HydrophobicContact CG2-CG2 3.59Å; I686-K691 HydrophobicContact CB-CG 4.34Å; I686-K691 HydrophobicContact CG2-CG 3.98Å; I686-K691 VanDerWaalsContact O-CE 3.27Å; I686-K691 WeakPolarHBondContact O-CE 3.48Å
687P90.5Very high89.8Confident62 Ų6267.8 Ų67.840%0.40332%0.316SS..  trans-55.2138.7173.7-25.734.3000113K689 T690 K691P687-K689 PolarHBondContact O-N 3.43Å; P687-K689 VanDerWaalsContact O-N 3.12Å; P687-T690 WeakPolarHBondContact O-CA 3.27Å; P687-T690 WeakPolarHBondContact O-CB 3.34Å; P687-T690 PolarHBondContact O-N 2.75Å; P687-K691 PolarHBondContact O-N 3.27Å; P687-K691 VanDerWaalsContact O-N 3.1Å
688S83.3Confident89.4Confident64 Ų6468.7 Ų68.745%0.44832%0.32SS..Hα-helixtrans-55.1-34.2-179.656.60000113.9I686 T690 K691 R692I686-S688 PolarHBondContact O-N 3.12Å; S688-T690 VanDerWaalsContact C-N 3.32Å; S688-T690 PolarHBondContact O-N 3.01Å; S688-K691 PolarHBondContact O-N 2.8Å; S688-R692 WeakPolarHBondContact O-CG 3.46Å; S688-R692 PolarHBondContact O-N 2.84Å
689K83.9Confident88.8Confident145 Ų14568.8 Ų68.863%0.6332%0.32SS*.Hα-helixtrans-57.9-43.3172.2-176.2177.2179.8175.90112.1P687 I693P687-K689 PolarHBondContact O-N 3.43Å; P687-K689 VanDerWaalsContact O-N 3.12Å; K689-I693 HydrophobicContact CG-CD1 4.46Å; K689-I693 WeakPolarHBondContact O-CG1 3.21Å; K689-I693 PolarHBondContact O-N 3.12Å
690T87.3Confident88.4Confident18 Ų1870.2 Ų70.211%0.1133%0.328CS..Hα-helixtrans-72.1-37.6179.6-60.20000111.4K646 I649 I686 P687 S688 I693 Y694K646-T690 HydrophobicContact CG-CG2 4.19Å; I649-T690 HydrophobicContact CB-CG2 4.04Å; I649-T690 HydrophobicContact CD1-CG2 3.63Å; I649-T690 HydrophobicContact CG1-CG2 4.44Å; I649-T690 HydrophobicContact CG2-CG2 3.83Å; I686-T690 HydrophobicContact CG2-CG2 3.59Å; P687-T690 WeakPolarHBondContact O-CA 3.27Å; P687-T690 WeakPolarHBondContact O-CB 3.34Å; P687-T690 PolarHBondContact O-N 2.75Å; S688-T690 VanDerWaalsContact C-N 3.32Å; S688-T690 PolarHBondContact O-N 3.01Å; T690-I693 PolarHBondContact O-N 3.33Å; T690-Y694 PolarHBondContact O-N 3.17Å
691K84.6Confident88Confident72 Ų7262.8 Ų62.831%0.31330%0.3SS..Hα-helixtrans-58-48.2172.4-68-179.1179.8171.40111.7W683 E684 I686 P687 S688 I693 Y694 C695W683-K691 WeakPolarHBondContact O-CE 3.19Å; W683-K691 PolarHBondContact O-NZ 3.04Å; W683-K691 VanDerWaalsContact O-NZ 3.13Å; E684-K691 PolarHBondContact O-NZ 3.21Å; I686-K691 HydrophobicContact CB-CG 4.34Å; I686-K691 HydrophobicContact CG2-CG 3.98Å; I686-K691 VanDerWaalsContact O-CE 3.27Å; I686-K691 WeakPolarHBondContact O-CE 3.48Å; P687-K691 PolarHBondContact O-N 3.27Å; P687-K691 VanDerWaalsContact O-N 3.1Å; S688-K691 PolarHBondContact O-N 2.8Å; K691-I693 VanDerWaalsContact C-N 3.3Å; K691-I693 PolarHBondContact O-N 2.88Å; K691-Y694 WeakPolarHBondContact O-CB 3.27Å; K691-Y694 PolarHBondContact O-N 3.26Å; K691-Y694 VanDerWaalsContact O-N 3.1Å; K691-C695 PolarHBondContact O-N 2.86Å; K691-C695 PolarHBondContact O-SG 3.14Å; K691-C695 VanDerWaalsContact O-SG 3.35Å
692R81.1Confident87.3Confident122 Ų12259.3 Ų59.346%0.4629%0.287SS..Hα-helixtrans-58.4-39.3177.3-73.5-173.6-69.7165.2-4.4112.9S688 A696S688-R692 WeakPolarHBondContact O-CG 3.46Å; S688-R692 PolarHBondContact O-N 2.84Å; R692-A696 WeakPolarHBondContact O-CB 3.26Å; R692-A696 PolarHBondContact O-N 2.81Å
693I86.6Confident86.6Confident53 Ų5363.4 Ų63.427%0.27231%0.313SS..Hα-helixtrans-63.1-46.8174.8-67.6166.1000110.8I649 K689 T690 K691 A696 Y697I649-I693 HydrophobicContact CG2-CG2 4.04Å; K689-I693 HydrophobicContact CG-CD1 4.46Å; K689-I693 WeakPolarHBondContact O-CG1 3.21Å; K689-I693 PolarHBondContact O-N 3.12Å; T690-I693 PolarHBondContact O-N 3.33Å; K691-I693 VanDerWaalsContact C-N 3.3Å; K691-I693 PolarHBondContact O-N 2.88Å; I693-A696 PolarHBondContact O-N 3.31Å; I693-Y697 HydrophobicContact CG2-CD2 3.95Å; I693-Y697 HydrophobicContact CG2-CE1 4.25Å; I693-Y697 HydrophobicContact CG2-CE2 3.4Å; I693-Y697 VanDerWaalsContact CG2-CE2 3.4Å; I693-Y697 PolarHBondContact O-N 3.41Å
694Y90.4Very high85.6Confident9 Ų964.7 Ų64.74%0.03533%0.327CS..Hα-helixtrans-59.4-49.4177.4172.4-100.9000111.9I649 M668 L671 S672 Q677 W683 T690 K691 A696 Y697 E698I649-Y694 HydrophobicContact CD1-CG 4.48Å; I649-Y694 HydrophobicContact CG1-CD2 4.39Å; M668-Y694 HydrophobicContact CE-CD2 3.49Å; M668-Y694 VanDerWaalsContact CE-CD2 3.49Å; M668-Y694 HydrophobicContact CE-CE2 3.42Å; M668-Y694 VanDerWaalsContact CE-CE2 3.42Å; M668-Y694 HydrophobicContact CE-CG 4.49Å; M668-Y694 HydrophobicContact SD-CD2 4.24Å; M668-Y694 HydrophobicContact SD-CE2 4.39Å; L671-Y694 HydrophobicContact CB-CD2 4.47Å; L671-Y694 HydrophobicContact CB-CE2 3.71Å; L671-Y694 HydrophobicContact CD1-CD2 4.04Å; L671-Y694 HydrophobicContact CD1-CE2 4.08Å; S672-Y694 PolarHBondContact OG-OH 3.48Å; Q677-Y694 PolarHBondContact NE2-OH 3.07Å; W683-Y694 HydrophobicContact CH2-CD1 4.1Å; W683-Y694 HydrophobicContact CH2-CD2 4.17Å; W683-Y694 AromaticContact CH2-CE1 3.94Å; W683-Y694 HydrophobicContact CH2-CE1 3.94Å; W683-Y694 HydrophobicContact CH2-CE2 4.04Å; W683-Y694 HydrophobicContact CH2-CG 4.21Å; W683-Y694 AromaticContact CH2-CZ 3.93Å; W683-Y694 AromaticContact CZ3-CD1 3.93Å; W683-Y694 HydrophobicContact CZ3-CD1 3.93Å; W683-Y694 HydrophobicContact CZ3-CD2 4.48Å; W683-Y694 HydrophobicContact CZ3-CE1 4.17Å; W683-Y694 HydrophobicContact CZ3-CG 4.11Å; T690-Y694 PolarHBondContact O-N 3.17Å; K691-Y694 WeakPolarHBondContact O-CB 3.27Å; K691-Y694 PolarHBondContact O-N 3.26Å; K691-Y694 VanDerWaalsContact O-N 3.1Å; Y694-A696 VanDerWaalsContact C-N 3.29Å; Y694-A696 PolarHBondContact O-N 2.82Å; Y694-Y697 CarbonylContact O-C 3.54Å; Y694-Y697 WeakPolarHBondContact O-CB 3.32Å; Y694-Y697 PolarHBondContact O-N 2.88Å; Y694-E698 PolarHBondContact O-N 3.15Å
695C84.6Confident84.5Confident54 Ų5460.8 Ų60.837%0.36531%0.306SS..Hα-helixtrans-60-38.6177.5-62.50000112.1K691 Y697 E698 R699K691-C695 PolarHBondContact O-N 2.86Å; K691-C695 PolarHBondContact O-SG 3.14Å; K691-C695 VanDerWaalsContact O-SG 3.35Å; C695-Y697 VanDerWaalsContact C-N 3.3Å; C695-Y697 PolarHBondContact O-N 3.37Å; C695-E698 PolarHBondContact O-N 2.91Å; C695-R699 WeakPolarHBondContact O-CG 3.48Å; C695-R699 PolarHBondContact O-N 2.69Å
696A80.6Confident83.5Confident41 Ų4156.7 Ų56.734%0.33929%0.294SS..Hα-helixtrans-63.4-36.417500000112.5R692 I693 Y694R692-A696 WeakPolarHBondContact O-CB 3.26Å; R692-A696 PolarHBondContact O-N 2.81Å; I693-A696 PolarHBondContact O-N 3.31Å; Y694-A696 VanDerWaalsContact C-N 3.29Å; Y694-A696 PolarHBondContact O-N 2.82Å
697Y90.9Very high82.9Confident31 Ų3157.4 Ų57.412%0.12230%0.297CS..Hα-helixtrans-75.9-35.3176.9-67.3-11.6000113S653 K656 F664 M668 I693 Y694 C695 R699 L700S653-Y697 WeakPolarHBondContact CA-OH 3.47Å; S653-Y697 WeakPolarHBondContact CB-OH 3.37Å; S653-Y697 WeakPolarHBondContact OG-CE2 3.46Å; S653-Y697 PolarHBondContact OG-OH 3.19Å; K656-Y697 HydrophobicContact CD-CD1 4.12Å; K656-Y697 HydrophobicContact CD-CE1 3.69Å; F664-Y697 HydrophobicContact CE2-CD1 4.21Å; F664-Y697 AromaticContact CE2-CD2 3.66Å; F664-Y697 HydrophobicContact CE2-CD2 3.66Å; F664-Y697 HydrophobicContact CE2-CE2 4.11Å; F664-Y697 AromaticContact CE2-CG 3.71Å; F664-Y697 HydrophobicContact CE2-CG 3.71Å; F664-Y697 HydrophobicContact CZ-CD1 4.18Å; F664-Y697 HydrophobicContact CZ-CD2 4.24Å; F664-Y697 AromaticContact CZ-CG 3.81Å; F664-Y697 HydrophobicContact CZ-CG 3.81Å; M668-Y697 VanDerWaalsContact CE-CB 3.44Å; M668-Y697 HydrophobicContact SD-CD2 4.04Å; M668-Y697 HydrophobicContact SD-CG 4.42Å; I693-Y697 HydrophobicContact CG2-CD2 3.95Å; I693-Y697 HydrophobicContact CG2-CE1 4.25Å; I693-Y697 HydrophobicContact CG2-CE2 3.4Å; I693-Y697 VanDerWaalsContact CG2-CE2 3.4Å; I693-Y697 PolarHBondContact O-N 3.41Å; Y694-Y697 CarbonylContact O-C 3.54Å; Y694-Y697 WeakPolarHBondContact O-CB 3.32Å; Y694-Y697 PolarHBondContact O-N 2.88Å; C695-Y697 VanDerWaalsContact C-N 3.3Å; C695-Y697 PolarHBondContact O-N 3.37Å; Y697-R699 PolarHBondContact O-N 2.96Å; Y697-L700 WeakPolarHBondContact O-CB 3.45Å; Y697-L700 PolarHBondContact O-N 3.18Å
698E87.2Confident82.3Confident81 Ų8158.1 Ų58.138%0.37929%0.292SS..Hα-helixtrans-58.3-36.9176-175.9175-140.200111.9Y694 C695 L700 M701Y694-E698 PolarHBondContact O-N 3.15Å; C695-E698 PolarHBondContact O-N 2.91Å; E698-L700 PolarHBondContact O-N 2.97Å; E698-M701 HydrophobicContact CB-CE 4.06Å; E698-M701 HydrophobicContact CG-CE 3.71Å; E698-M701 WeakPolarHBondContact O-CA 3.43Å; E698-M701 VanDerWaalsContact O-CB 3.28Å; E698-M701 WeakPolarHBondContact O-CB 3.23Å; E698-M701 PolarHBondContact O-N 3.22Å
699R81.4Confident82.1Confident78 Ų7857 Ų5729%0.29429%0.286SS..G310 helixtrans-61.2-26.2175.2-66.3-174.6-168.2120.7-4.8114.5H117 C695 Y697 M701 D702 A709H117-R699 PolarHBondContact CD2-NH2 3.08Å; H117-R699 PolarHBondContact CE1-NH1 2.95Å; H117-R699 PolarHBondContact CE1-NH2 2.97Å; H117-R699 PolarHBondContact NE2-NH1 3.41Å; H117-R699 PolarHBondContact NE2-NH2 3.45Å; H117-R699 VanDerWaalsContact NE2-NH2 3.18Å; C695-R699 WeakPolarHBondContact O-CG 3.48Å; C695-R699 PolarHBondContact O-N 2.69Å; Y697-R699 PolarHBondContact O-N 2.96Å; R699-M701 PolarHBondContact O-N 2.92Å; R699-D702 WeakPolarHBondContact O-CB 3.24Å; R699-D702 PolarHBondContact O-N 3.13Å; R699-A709 WeakPolarHBondContact O-CB 3.24Å
700L86.3Confident82.2Confident33 Ų3350.6 Ų50.617%0.17326%0.258CS..G310 helixtrans-70.5-16.4174.6-68.2171.1000112.2K656 F664 F665 Y697 E698 A713K656-L700 HydrophobicContact CD-CD1 4.35Å; F664-L700 HydrophobicContact CE1-CD1 4.12Å; F664-L700 HydrophobicContact CZ-CD1 4.08Å; F665-L700 HydrophobicContact CE1-CB 4.16Å; F665-L700 HydrophobicContact CZ-CB 4.06Å; Y697-L700 WeakPolarHBondContact O-CB 3.45Å; Y697-L700 PolarHBondContact O-N 3.18Å; E698-L700 PolarHBondContact O-N 2.97Å; L700-A713 HydrophobicContact CD2-CB 4.09Å
701M86.2Confident82.1Confident24 Ų2453.4 Ų53.412%0.11827%0.267CS..G310 helixtrans-88.8-4.4176.7-51.6-170.3-66.600113.2F665 M668 F669 S672 E698 R699 P703F665-M701 HydrophobicContact CD1-CG 3.77Å; F665-M701 HydrophobicContact CD1-SD 4.46Å; F665-M701 HydrophobicContact CE1-CB 4.43Å; F665-M701 HydrophobicContact CE1-CG 3.67Å; M668-M701 HydrophobicContact CB-CE 4.39Å; M668-M701 HydrophobicContact CB-SD 3.58Å; M668-M701 VanDerWaalsContact CB-SD 3.58Å; M668-M701 HydrophobicContact CE-CE 4.41Å; F669-M701 HydrophobicContact CD1-SD 4.48Å; F669-M701 HydrophobicContact CE1-SD 4.47Å; S672-M701 WeakPolarHBondContact OG-CE 3.15Å; E698-M701 HydrophobicContact CB-CE 4.06Å; E698-M701 HydrophobicContact CG-CE 3.71Å; E698-M701 WeakPolarHBondContact O-CA 3.43Å; E698-M701 VanDerWaalsContact O-CB 3.28Å; E698-M701 WeakPolarHBondContact O-CB 3.23Å; E698-M701 PolarHBondContact O-N 3.22Å; R699-M701 PolarHBondContact O-N 2.92Å; M701-P703 WeakPolarHBondContact O-CD 3.44Å; M701-P703 VanDerWaalsContact O-N 3.16Å
702D79.4Confident81.8Confident41 Ų4152 Ų5222%0.21926%0.262CS..  trans-56.6117.9-176.6-171.4-14.5000110.4Q125 R699 S704 H707Q125-D702 PolarHBondContact NE2-OD2 2.86Å; R699-D702 WeakPolarHBondContact O-CB 3.24Å; R699-D702 PolarHBondContact O-N 3.13Å; D702-S704 PolarHBondContact O-N 3.31Å; D702-S704 WeakPolarHBondContact OD1-CB 3.38Å; D702-S704 PolarHBondContact OD1-N 3.44Å; D702-S704 PolarHBondContact OD1-OG 3.12Å; D702-H707 WeakPolarHBondContact O-CA 3.5Å
703P81.4Confident82Confident87 Ų8748 Ų4857%0.56526%0.256SS*.  trans-74.5-12.1-179.731.7-36.1000113.1M701 R705 N706 H707M701-P703 WeakPolarHBondContact O-CD 3.44Å; M701-P703 VanDerWaalsContact O-N 3.16Å; P703-R705 PolarHBondContact O-N 3Å; P703-N706 PolarHBondContact O-N 3.46Å; P703-H707 PolarHBondContact O-N 2.65Å
704S71.6Confident82.1Confident56 Ų5646.5 Ų46.539%0.39225%0.249SC..Hα-helixtrans-54.2137.6-176.2-57.40000111.9D702 N706 H707 R708D702-S704 PolarHBondContact O-N 3.31Å; D702-S704 WeakPolarHBondContact OD1-CB 3.38Å; D702-S704 PolarHBondContact OD1-N 3.44Å; D702-S704 PolarHBondContact OD1-OG 3.12Å; S704-N706 VanDerWaalsContact C-N 3.32Å; S704-N706 PolarHBondContact O-N 3.47Å; S704-H707 PolarHBondContact O-N 2.98Å; S704-R708 PolarHBondContact O-N 3.19Å
705R68.8Low81.8Confident62 Ų6250 Ų5023%0.23428%0.28CS..Hα-helixtrans52.849.3177.1-65.6156.3159-84.1-4.2112P128 D129 E154 P703 R708P128-R705 VanDerWaalsContact CB-NH1 3.3Å; D129-R705 IonicContact OD1-CZ 2.98Å; D129-R705 IonicContact OD1-NH2 3.53Å; D129-R705 PolarHBondContact OD1-NH2 2.99Å; E154-R705 IonicContact OE1-CZ 3.71Å; E154-R705 VanDerWaalsContact OE1-CZ 3.29Å; E154-R705 IonicContact OE1-NH1 3.77Å; E154-R705 PolarHBondContact OE1-NH1 3.28Å; E154-R705 IonicContact OE1-NH2 3.12Å; E154-R705 PolarHBondContact OE1-NH2 2.9Å; P703-R705 PolarHBondContact O-N 3Å; R705-R708 HydrophobicContact CB-CB 4.13Å; R705-R708 PolarHBondContact O-N 3.22Å
706N73.9Confident81.7Confident50 Ų5053.9 Ų53.927%0.26729%0.291SS..Hα-helixtrans57.154.4179.2-173.42.8000112.5P703 S704 R708 R711 T732P703-N706 PolarHBondContact O-N 3.46Å; S704-N706 VanDerWaalsContact C-N 3.32Å; S704-N706 PolarHBondContact O-N 3.47Å; N706-R708 VanDerWaalsContact C-N 3.27Å; N706-R708 PolarHBondContact O-N 2.97Å; N706-R711 WeakPolarHBondContact O-CD 3.32Å; N706-R711 PolarHBondContact O-NE 2.93Å; N706-R711 PolarHBondContact OD1-NE 3.29Å; N706-R711 PolarHBondContact OD1-NH2 3.01Å; N706-T732 WeakPolarHBondContact OD1-CB 3.45Å; N706-T732 WeakPolarHBondContact OD1-CG2 3.34Å; N706-T732 PolarHBondContact OD1-OG1 3.18Å
707H80.6Confident82Confident23 Ų2354.4 Ų54.411%0.10629%0.287CS..Hα-helixtrans53.641.5178.9-66.3-88.9000113.6D702 P703 S704 A709 Y710 R711 L727D702-H707 WeakPolarHBondContact O-CA 3.5Å; P703-H707 PolarHBondContact O-N 2.65Å; S704-H707 PolarHBondContact O-N 2.98Å; H707-A709 VanDerWaalsContact C-N 3.29Å; H707-A709 PolarHBondContact O-N 2.89Å; H707-Y710 PolarHBondContact O-N 2.98Å; H707-Y710 VanDerWaalsContact O-N 3.08Å; H707-R711 PolarHBondContact O-N 3.24Å; H707-L727 HydrophobicContact CB-CD1 4.16Å; H707-L727 HydrophobicContact CB-CD2 3.69Å; H707-L727 WeakPolarHBondContact CD2-CD1 3.44Å
708R77.4Confident81.8Confident77 Ų7755.9 Ų55.929%0.29130%0.302SS..Hα-helixtrans-52.2-45.5-174.2-176.6172.5178.8166.11.9112.3S704 R705 N706 Y710 R711 L712S704-R708 PolarHBondContact O-N 3.19Å; R705-R708 HydrophobicContact CB-CB 4.13Å; R705-R708 PolarHBondContact O-N 3.22Å; N706-R708 VanDerWaalsContact C-N 3.27Å; N706-R708 PolarHBondContact O-N 2.97Å; R708-Y710 VanDerWaalsContact C-N 3.32Å; R708-Y710 PolarHBondContact O-N 3.3Å; R708-R711 PolarHBondContact O-N 3.26Å; R708-L712 HydrophobicContact CG-CD1 3.71Å; R708-L712 HydrophobicContact CG-CG 3.9Å; R708-L712 WeakPolarHBondContact O-CB 3.39Å; R708-L712 WeakPolarHBondContact O-CG 3.35Å; R708-L712 PolarHBondContact O-N 2.9Å
709A79.3Confident81.9Confident39 Ų3953.6 Ų53.632%0.32229%0.294SS..Hα-helixtrans-56.3-44.2-179.700000112.7R699 H707 A713R699-A709 WeakPolarHBondContact O-CB 3.24Å; H707-A709 VanDerWaalsContact C-N 3.29Å; H707-A709 PolarHBondContact O-N 2.89Å; A709-A713 PolarHBondContact O-N 3.13Å; A709-A713 VanDerWaalsContact O-N 3.16Å
710Y87.3Confident82.5Confident12 Ų1251.2 Ų51.25%0.04729%0.289CS..Hα-helixtrans-66.4-49.2175.2164.2-96.8000111.9L661 F665 H707 R708 L712 A713 V714 F724 L727L661-Y710 HydrophobicContact CD1-CE2 3.85Å; F665-Y710 AromaticContact CE2-CD2 3.45Å; F665-Y710 HydrophobicContact CE2-CD2 3.45Å; F665-Y710 VanDerWaalsContact CE2-CD2 3.45Å; F665-Y710 AromaticContact CE2-CE2 3.7Å; F665-Y710 HydrophobicContact CE2-CE2 3.7Å; F665-Y710 AromaticContact CZ-CD2 3.66Å; F665-Y710 HydrophobicContact CZ-CD2 3.66Å; F665-Y710 HydrophobicContact CZ-CE2 4.37Å; F665-Y710 HydrophobicContact CZ-CG 4.43Å; H707-Y710 PolarHBondContact O-N 2.98Å; H707-Y710 VanDerWaalsContact O-N 3.08Å; R708-Y710 VanDerWaalsContact C-N 3.32Å; R708-Y710 PolarHBondContact O-N 3.3Å; Y710-L712 VanDerWaalsContact C-N 3.27Å; Y710-L712 PolarHBondContact O-N 3.34Å; Y710-A713 WeakPolarHBondContact O-CA 3.32Å; Y710-A713 WeakPolarHBondContact O-CB 3.4Å; Y710-A713 PolarHBondContact O-N 3.38Å; Y710-V714 HydrophobicContact CD1-CG2 4.46Å; Y710-V714 HydrophobicContact CD2-CG2 3.93Å; Y710-V714 HydrophobicContact CE1-CG2 3.99Å; Y710-V714 HydrophobicContact CE2-CG2 3.41Å; Y710-V714 VanDerWaalsContact CE2-CG2 3.41Å; Y710-V714 HydrophobicContact CG-CG2 4.45Å; Y710-V714 VanDerWaalsContact CZ-CG2 3.46Å; Y710-V714 PolarHBondContact O-N 2.88Å; Y710-F724 HydrophobicContact CD2-CB 4.36Å; Y710-F724 HydrophobicContact CE1-CB 4.48Å; Y710-F724 HydrophobicContact CE2-CB 3.56Å; Y710-F724 PolarHBondContact OH-N 3.46Å; Y710-L727 HydrophobicContact CD1-CD2 3.23Å; Y710-L727 HydrophobicContact CE1-CD2 3.43Å; Y710-L727 VanDerWaalsContact CE1-CD2 3.43Å; Y710-L727 HydrophobicContact CG-CD2 4.07Å
711R85.4Confident82.9Confident76 Ų7650.7 Ų50.729%0.28729%0.285SS..Hα-helixtrans-59-42.8-177.8-67.6-173-173.6-82.1-7.3111.6N706 H707 R708 A713 V714 A715 T732 D733N706-R711 WeakPolarHBondContact O-CD 3.32Å; N706-R711 PolarHBondContact O-NE 2.93Å; N706-R711 PolarHBondContact OD1-NE 3.29Å; N706-R711 PolarHBondContact OD1-NH2 3.01Å; H707-R711 PolarHBondContact O-N 3.24Å; R708-R711 PolarHBondContact O-N 3.26Å; R711-A713 VanDerWaalsContact C-N 3.31Å; R711-A713 PolarHBondContact O-N 3.14Å; R711-V714 PolarHBondContact O-N 2.96Å; R711-A715 WeakPolarHBondContact O-CB 3.23Å; R711-A715 PolarHBondContact O-N 3.35Å; R711-T732 PolarHBondContact NH2-OG1 3.27Å; R711-D733 IonicContact CZ-OD1 3.61Å; R711-D733 IonicContact CZ-OD2 2.66Å; R711-D733 IonicContact NH1-OD1 3.31Å; R711-D733 IonicContact NH1-OD2 3.44Å; R711-D733 PolarHBondContact NH1-OD2 3.36Å; R711-D733 VanDerWaalsContact NH2-CG 3.34Å; R711-D733 IonicContact NH2-OD1 3.15Å; R711-D733 PolarHBondContact NH2-OD1 3.29Å; R711-D733 IonicContact NH2-OD2 3.06Å; R711-D733 PolarHBondContact NH2-OD2 3.42Å
712L78.3Confident83.3Confident43 Ų4349.6 Ų49.623%0.22528%0.279CS..Hα-helixtrans-64.9-31.9175.8-74.1-170.6000113.1Q59 R708 Y710Q59-L712 HydrophobicContact CG-CD1 4.23Å; Q59-L712 PolarHBondContact NE2-O 2.82Å; R708-L712 HydrophobicContact CG-CD1 3.71Å; R708-L712 HydrophobicContact CG-CG 3.9Å; R708-L712 WeakPolarHBondContact O-CB 3.39Å; R708-L712 WeakPolarHBondContact O-CG 3.35Å; R708-L712 PolarHBondContact O-N 2.9Å; Y710-L712 VanDerWaalsContact C-N 3.27Å; Y710-L712 PolarHBondContact O-N 3.34Å
713A84.1Confident84Confident38 Ų3847.7 Ų47.731%0.31427%0.27SS..Hα-helixtrans-73.1-43173.800000111.7L700 A709 Y710 R711 K716L700-A713 HydrophobicContact CD2-CB 4.09Å; A709-A713 PolarHBondContact O-N 3.13Å; A709-A713 VanDerWaalsContact O-N 3.16Å; Y710-A713 WeakPolarHBondContact O-CA 3.32Å; Y710-A713 WeakPolarHBondContact O-CB 3.4Å; Y710-A713 PolarHBondContact O-N 3.38Å; R711-A713 VanDerWaalsContact C-N 3.31Å; R711-A713 PolarHBondContact O-N 3.14Å; A713-K716 PolarHBondContact O-N 2.93Å
714V88.4Confident84.6Confident21 Ų2144 Ų4413%0.12725%0.245CC..Hα-helixtrans-68.8-36179.5172.90000112.4L661 Y710 R711 K716 L717 Y721L661-V714 HydrophobicContact CD1-CG2 3.55Å; Y710-V714 HydrophobicContact CD1-CG2 4.46Å; Y710-V714 HydrophobicContact CD2-CG2 3.93Å; Y710-V714 HydrophobicContact CE1-CG2 3.99Å; Y710-V714 HydrophobicContact CE2-CG2 3.41Å; Y710-V714 VanDerWaalsContact CE2-CG2 3.41Å; Y710-V714 HydrophobicContact CG-CG2 4.45Å; Y710-V714 VanDerWaalsContact CZ-CG2 3.46Å; Y710-V714 PolarHBondContact O-N 2.88Å; R711-V714 PolarHBondContact O-N 2.96Å; V714-K716 PolarHBondContact O-N 3.38Å; V714-L717 WeakPolarHBondContact O-CB 3.47Å; V714-L717 PolarHBondContact O-N 2.9Å; V714-Y721 HydrophobicContact CG1-CE2 3.72Å; V714-Y721 WeakPolarHBondContact CG1-OH 3.19Å
715A84.1Confident85.5Confident84 Ų8441.4 Ų41.469%0.69423%0.226SC*.THydrogen-bonded Turntrans-57.5-23.317700000113.5R711R711-A715 WeakPolarHBondContact O-CB 3.23Å; R711-A715 PolarHBondContact O-N 3.35Å
716K82.6Confident86.5Confident135 Ų13539.6 Ų39.659%0.58722%0.222SC*.THydrogen-bonded Turntrans-89.2-9177-66.1177.8173.3176.90113.7A713 V714A713-K716 PolarHBondContact O-N 2.93Å; V714-K716 PolarHBondContact O-N 3.38Å
717L87.4Confident87.1Confident52 Ų5237.2 Ų37.227%0.27221%0.21SC..PPolyproline II helixtrans-88.5136.4-177.9-63.2178000110.8L661 V714 Y721L661-L717 HydrophobicContact CD1-CD1 3.87Å; V714-L717 WeakPolarHBondContact O-CB 3.47Å; V714-L717 PolarHBondContact O-N 2.9Å; L717-Y721 HydrophobicContact CB-CD1 4.25Å; L717-Y721 HydrophobicContact CB-CE1 4.44Å; L717-Y721 HydrophobicContact CD1-CG 4.48Å
718S87.4Confident87.2Confident62 Ų6236.6 Ų36.643%0.43421%0.207SC..PPolyproline II helixtrans-88148.7164730000110R659R659-S718 PolarHBondContact NH1-O 3.11Å; R659-S718 PolarHBondContact NH1-OG 3.13Å
719P89.6Confident87.2Confident33 Ų3333.2 Ų33.221%0.21420%0.195CC..SBendtrans-52152.6162.4-24.635.3000111.3G766 Q770P719-G766 WeakPolarHBondContact CB-O 3.2Å; P719-G766 WeakPolarHBondContact CG-O 3.33Å; P719-Q770 HydrophobicContact CB-CG 4.36Å; P719-Q770 PolarHBondContact O-OE1 3.48Å; P719-Q770 VanDerWaalsContact O-OE1 3.09Å
720P92.9Very high86.3Confident28 Ų2839.6 Ų39.618%0.18222%0.215CC..SBendcis-83.3143.9-4.732.6-31.5000112.9W585 C767 Q770W585-P720 HydrophobicContact CH2-CB 3.73Å; W585-P720 HydrophobicContact CZ2-CB 3.78Å; P720-C767 WeakPolarHBondContact CA-O 3.46Å; P720-Q770 HydrophobicContact CB-CB 4.37Å; P720-Q770 WeakPolarHBondContact CB-O 3.17Å; P720-Q770 HydrophobicContact CG-CB 4.34Å
721Y94.5Very high84.4Confident22 Ų2241.5 Ų41.59%0.08623%0.234CC..  trans-154.8159.2170.566.6-88.1000111R659 V714 L717 P723 C767R659-Y721 WeakPolarHBondContact O-CB 3.45Å; V714-Y721 HydrophobicContact CG1-CE2 3.72Å; V714-Y721 WeakPolarHBondContact CG1-OH 3.19Å; L717-Y721 HydrophobicContact CB-CD1 4.25Å; L717-Y721 HydrophobicContact CB-CE1 4.44Å; L717-Y721 HydrophobicContact CD1-CG 4.48Å; Y721-P723 HydrophobicContact CE2-CB 4.14Å; Y721-C767 HydrophobicContact CE1-CB 4.46Å; Y721-C767 HydrophobicContact CE2-CB 4.3Å; Y721-C767 WeakPolarHBondContact CE2-SG 3.45Å; Y721-C767 PolarHBondContact N-O 2.88Å; Y721-C767 VanDerWaalsContact N-O 3.09Å; Y721-C767 WeakPolarHBondContact O-CB 3.5Å; Y721-C767 PolarHBondContact OH-SG 3.29Å; Y721-C767 VanDerWaalsContact OH-SG 3.39Å
722I95.6Very high82.6Confident0 Ų039.6 Ų39.60%023%0.23CC..BIsolated β-bridgetrans-102.8116.1173.9-51.6-173.8000108.3D584 W585 F588 F617 R659 L661 N662D584-I722 HydrophobicContact CB-CD1 3.52Å; W585-I722 HydrophobicContact CD2-CD1 3.96Å; W585-I722 HydrophobicContact CD2-CG1 4Å; W585-I722 HydrophobicContact CG-CD1 3.87Å; W585-I722 HydrophobicContact CG-CG1 4.41Å; W585-I722 HydrophobicContact CH2-CG1 4.35Å; W585-I722 HydrophobicContact CZ2-CG1 3.77Å; F588-I722 HydrophobicContact CD1-CG1 4.38Å; F588-I722 HydrophobicContact CD1-CG2 4.48Å; F617-I722 HydrophobicContact CE1-CG2 4.47Å; F617-I722 HydrophobicContact CZ-CG2 3.7Å; R659-I722 PolarHBondContact O-N 2.92Å; L661-I722 VanDerWaalsContact CB-O 3.29Å; L661-I722 WeakPolarHBondContact CB-O 3.44Å; L661-I722 PolarHBondContact N-O 2.82Å; N662-I722 HydrophobicContact CB-CG2 3.63Å
723P94.3Very high82.1Confident2 Ų238.4 Ų38.41%0.01322%0.224CC..  trans-73.6165.6-178.332.5-36.3000111.6F588 N662 Y721 M725 L728F588-P723 HydrophobicContact CZ-CG 4.3Å; N662-P723 WeakPolarHBondContact CB-O 3.17Å; Y721-P723 HydrophobicContact CE2-CB 4.14Å; P723-M725 HydrophobicContact CG-SD 3.9Å; P723-M725 PolarHBondContact O-N 3.47Å; P723-L728 HydrophobicContact CB-CD1 3.82Å; P723-L728 HydrophobicContact CG-CD1 3.73Å
724F93.8Very high81.9Confident10 Ų1036.7 Ų36.74%0.04421%0.21CC..  trans-7191.7169.2-179.5-145.8000110.2F621 F665 F669 Y710 P726 L727 L728F621-F724 HydrophobicContact CE2-CD2 4.03Å; F621-F724 AromaticContact CE2-CE2 3.65Å; F621-F724 HydrophobicContact CE2-CE2 3.65Å; F621-F724 HydrophobicContact CZ-CD2 4.48Å; F621-F724 AromaticContact CZ-CE2 3.66Å; F621-F724 HydrophobicContact CZ-CE2 3.66Å; F665-F724 HydrophobicContact CB-CD2 3.72Å; F665-F724 HydrophobicContact CB-CE2 3.89Å; F665-F724 HydrophobicContact CB-CG 4.28Å; F665-F724 HydrophobicContact CD2-CB 3.62Å; F665-F724 HydrophobicContact CD2-CD1 4.09Å; F665-F724 AromaticContact CD2-CD2 3.89Å; F665-F724 HydrophobicContact CD2-CD2 3.89Å; F665-F724 AromaticContact CD2-CG 3.59Å; F665-F724 HydrophobicContact CD2-CG 3.59Å; F665-F724 HydrophobicContact CE2-CB 3.94Å; F665-F724 HydrophobicContact CE2-CD1 4.34Å; F665-F724 HydrophobicContact CE2-CG 4.14Å; F665-F724 HydrophobicContact CG-CB 4.49Å; F665-F724 HydrophobicContact CG-CD1 4.32Å; F665-F724 AromaticContact CG-CD2 3.95Å; F665-F724 HydrophobicContact CG-CD2 3.95Å; F665-F724 HydrophobicContact CG-CE2 4.33Å; F665-F724 AromaticContact CG-CG 4Å; F665-F724 HydrophobicContact CG-CG 4Å; F669-F724 HydrophobicContact CD2-CZ 4.48Å; F669-F724 HydrophobicContact CE2-CE1 4.19Å; F669-F724 AromaticContact CE2-CE2 3.81Å; F669-F724 HydrophobicContact CE2-CE2 3.81Å; F669-F724 AromaticContact CE2-CZ 3.4Å; F669-F724 HydrophobicContact CE2-CZ 3.4Å; F669-F724 VanDerWaalsContact CE2-CZ 3.4Å; F669-F724 HydrophobicContact CZ-CE1 4.45Å; F669-F724 AromaticContact CZ-CZ 3.9Å; F669-F724 HydrophobicContact CZ-CZ 3.9Å; Y710-F724 HydrophobicContact CD2-CB 4.36Å; Y710-F724 HydrophobicContact CE1-CB 4.48Å; Y710-F724 HydrophobicContact CE2-CB 3.56Å; Y710-F724 PolarHBondContact OH-N 3.46Å; F724-P726 HydrophobicContact CD2-CB 4.38Å; F724-P726 HydrophobicContact CD2-CG 4.14Å; F724-P726 HydrophobicContact CE2-CB 3.63Å; F724-P726 HydrophobicContact CE2-CG 3.56Å; F724-P726 HydrophobicContact CZ-CB 3.84Å; F724-P726 HydrophobicContact CZ-CG 4.28Å; F724-L727 HydrophobicContact CD1-CB 3.37Å; F724-L727 HydrophobicContact CD1-CD2 4.05Å; F724-L727 HydrophobicContact CD1-CG 4.36Å; F724-L727 HydrophobicContact CE1-CB 3.64Å; F724-L727 HydrophobicContact CG-CB 4.09Å; F724-L727 PolarHBondContact O-N 3.12Å; F724-L728 PolarHBondContact O-N 2.83Å
725M90.6Very high81.5Confident1 Ų137.5 Ų37.51%0.00522%0.215CC..Hα-helixtrans-61.2-41.9-172.5-73-59.6-6900114.8F588 M591 L596 L614 F617 N662 P723 L727 L728 L729F588-M725 HydrophobicContact CE2-SD 4.01Å; M591-M725 HydrophobicContact CE-CE 4.33Å; M591-M725 HydrophobicContact SD-CE 4.31Å; L596-M725 HydrophobicContact CD2-CE 3.95Å; L614-M725 HydrophobicContact CD1-CE 4.15Å; F617-M725 HydrophobicContact CD1-CG 3.87Å; F617-M725 HydrophobicContact CE1-CB 4.37Å; F617-M725 HydrophobicContact CE1-CG 3.27Å; F617-M725 HydrophobicContact CE1-SD 4.15Å; F617-M725 HydrophobicContact CZ-CG 4.13Å; N662-M725 PolarHBondContact OD1-N 2.86Å; P723-M725 HydrophobicContact CG-SD 3.9Å; P723-M725 PolarHBondContact O-N 3.47Å; M725-L727 PolarHBondContact O-N 3.3Å; M725-L728 PolarHBondContact O-N 3.28Å; M725-L728 VanDerWaalsContact O-N 3.09Å; M725-L728 HydrophobicContact SD-CD1 4.09Å; M725-L729 HydrophobicContact CB-CD1 4.45Å; M725-L729 HydrophobicContact CE-CD1 4.32Å; M725-L729 HydrophobicContact CE-CG 4.41Å; M725-L729 WeakPolarHBondContact O-CG 3.21Å; M725-L729 PolarHBondContact O-N 3.27Å
726P89.1Confident81.4Confident23 Ų2340.2 Ų40.215%0.14921%0.211CC..Hα-helixtrans-55.6-31.3176.3-29.836000114.4F621 F724 K730 A731F621-P726 HydrophobicContact CD1-CG 3.89Å; F621-P726 HydrophobicContact CD2-CG 4.04Å; F621-P726 HydrophobicContact CE1-CG 3.87Å; F621-P726 HydrophobicContact CE2-CG 4Å; F621-P726 HydrophobicContact CG-CG 4Å; F621-P726 HydrophobicContact CZ-CG 3.92Å; F724-P726 HydrophobicContact CD2-CB 4.38Å; F724-P726 HydrophobicContact CD2-CG 4.14Å; F724-P726 HydrophobicContact CE2-CB 3.63Å; F724-P726 HydrophobicContact CE2-CG 3.56Å; F724-P726 HydrophobicContact CZ-CB 3.84Å; F724-P726 HydrophobicContact CZ-CG 4.28Å; P726-K730 WeakPolarHBondContact O-CA 3.24Å; P726-K730 WeakPolarHBondContact O-CB 3.49Å; P726-K730 PolarHBondContact O-N 3Å; P726-A731 PolarHBondContact O-N 2.92Å; P726-A731 VanDerWaalsContact O-N 3.14Å
727L85.8Confident81.3Confident0 Ų034.6 Ų34.60%019%0.188CC..Iπ-helixtrans-70.3-44.1174.817658.3000112.3H707 Y710 F724 M725 L729 A731 T732H707-L727 HydrophobicContact CB-CD1 4.16Å; H707-L727 HydrophobicContact CB-CD2 3.69Å; H707-L727 WeakPolarHBondContact CD2-CD1 3.44Å; Y710-L727 HydrophobicContact CD1-CD2 3.23Å; Y710-L727 HydrophobicContact CE1-CD2 3.43Å; Y710-L727 VanDerWaalsContact CE1-CD2 3.43Å; Y710-L727 HydrophobicContact CG-CD2 4.07Å; F724-L727 HydrophobicContact CD1-CB 3.37Å; F724-L727 HydrophobicContact CD1-CD2 4.05Å; F724-L727 HydrophobicContact CD1-CG 4.36Å; F724-L727 HydrophobicContact CE1-CB 3.64Å; F724-L727 HydrophobicContact CG-CB 4.09Å; F724-L727 PolarHBondContact O-N 3.12Å; M725-L727 PolarHBondContact O-N 3.3Å; L727-L729 VanDerWaalsContact C-N 3.33Å; L727-L729 PolarHBondContact O-N 3.36Å; L727-A731 HydrophobicContact CD1-CB 3.81Å; L727-T732 WeakPolarHBondContact CD1-OG1 2.97Å; L727-T732 PolarHBondContact O-N 3.06Å
728L83Confident81.3Confident11 Ų1134 Ų346%0.05818%0.183CC..Iπ-helixtrans-63.6-39.2177-65.1178000112.1P723 F724 M725 M734 T760 V764P723-L728 HydrophobicContact CB-CD1 3.82Å; P723-L728 HydrophobicContact CG-CD1 3.73Å; F724-L728 PolarHBondContact O-N 2.83Å; M725-L728 PolarHBondContact O-N 3.28Å; M725-L728 VanDerWaalsContact O-N 3.09Å; M725-L728 HydrophobicContact SD-CD1 4.09Å; L728-M734 WeakPolarHBondContact O-CG 3.4Å; L728-M734 PolarHBondContact O-N 3.38Å; L728-T760 HydrophobicContact CD2-CG2 4.45Å; L728-V764 HydrophobicContact CD1-CG2 3.89Å
729L76.9Confident81.1Confident5 Ų538.4 Ų38.43%0.02620%0.197CC..Iπ-helixtrans-82.4-58.7-178-66.4170.2000112.7L596 Y599 L614 V618 M725 L727 T735L596-L729 HydrophobicContact CD2-CD2 3.53Å; Y599-L729 HydrophobicContact CD1-CD2 4.4Å; L614-L729 HydrophobicContact CD1-CD1 3.86Å; L614-L729 HydrophobicContact CD1-CD2 4.17Å; L614-L729 HydrophobicContact CD2-CD2 4.3Å; V618-L729 HydrophobicContact CG2-CD1 3.36Å; M725-L729 HydrophobicContact CB-CD1 4.45Å; M725-L729 HydrophobicContact CE-CD1 4.32Å; M725-L729 HydrophobicContact CE-CG 4.41Å; M725-L729 WeakPolarHBondContact O-CG 3.21Å; M725-L729 PolarHBondContact O-N 3.27Å; L727-L729 VanDerWaalsContact C-N 3.33Å; L727-L729 PolarHBondContact O-N 3.36Å; L729-T735 PolarHBondContact O-OG1 2.89Å
730K60.4Low80.4Confident173 Ų17339.3 Ų39.375%0.75221%0.212SC*.Iπ-helixtrans-109.7-33.5-157.2-164.6-179-178.4-177.60113.8P726P726-K730 WeakPolarHBondContact O-CA 3.24Å; P726-K730 WeakPolarHBondContact O-CB 3.49Å; P726-K730 PolarHBondContact O-N 3Å
731A47.5Very low79.9Confident53 Ų5339.9 Ų39.944%0.43821%0.214SC..Iπ-helixtrans-91.6-30.8-164.200000114.8P726 L727P726-A731 PolarHBondContact O-N 2.92Å; P726-A731 VanDerWaalsContact O-N 3.14Å; L727-A731 HydrophobicContact CD1-CB 3.81Å
732T48.3Very low79.4Confident35 Ų3542.5 Ų42.522%0.21523%0.233CC..SBendtrans-159.7-17179.251.60000117.3N706 R711 L727 F736N706-T732 WeakPolarHBondContact OD1-CB 3.45Å; N706-T732 WeakPolarHBondContact OD1-CG2 3.34Å; N706-T732 PolarHBondContact OD1-OG1 3.18Å; R711-T732 PolarHBondContact NH2-OG1 3.27Å; L727-T732 WeakPolarHBondContact CD1-OG1 2.97Å; L727-T732 PolarHBondContact O-N 3.06Å; T732-F736 WeakPolarHBondContact O-CB 3.35Å
733D67.1Low79.1Confident18 Ų1844.4 Ų44.410%0.09624%0.244CC..SBendtrans-98.6-79.5-168-64.8-1.6000111.5R711 I737 T760R711-D733 IonicContact CZ-OD1 3.61Å; R711-D733 IonicContact CZ-OD2 2.66Å; R711-D733 IonicContact NH1-OD1 3.31Å; R711-D733 IonicContact NH1-OD2 3.44Å; R711-D733 PolarHBondContact NH1-OD2 3.36Å; R711-D733 VanDerWaalsContact NH2-CG 3.34Å; R711-D733 IonicContact NH2-OD1 3.15Å; R711-D733 PolarHBondContact NH2-OD1 3.29Å; R711-D733 IonicContact NH2-OD2 3.06Å; R711-D733 PolarHBondContact NH2-OD2 3.42Å; D733-I737 WeakPolarHBondContact O-CB 3.43Å; D733-I737 WeakPolarHBondContact O-CD1 3.39Å; D733-I737 WeakPolarHBondContact O-CG1 2.89Å; D733-I737 PolarHBondContact O-N 3.27Å; D733-T760 HydrophobicContact CB-CG2 4.19Å
734M80.1Confident79Confident2 Ų250 Ų501%0.0127%0.265CS..Hα-helixtrans-72.8-43.1-170.8-61.8-171.874.600114.4L596 I600 L728 I737 H738 L757 T760 V761L596-M734 HydrophobicContact CB-CE 4.09Å; L596-M734 HydrophobicContact CB-SD 4.08Å; I600-M734 HydrophobicContact CD1-CB 3.59Å; I600-M734 HydrophobicContact CG1-CB 3.72Å; I600-M734 HydrophobicContact CG1-CE 4.09Å; I600-M734 HydrophobicContact CG1-SD 4.33Å; L728-M734 WeakPolarHBondContact O-CG 3.4Å; L728-M734 PolarHBondContact O-N 3.38Å; M734-I737 PolarHBondContact O-N 2.94Å; M734-H738 VanDerWaalsContact O-CB 3.31Å; M734-H738 WeakPolarHBondContact O-CB 3.37Å; M734-H738 PolarHBondContact O-N 2.96Å; M734-L757 HydrophobicContact CB-CD2 4.26Å; M734-L757 HydrophobicContact CE-CD2 4.17Å; M734-T760 HydrophobicContact CG-CG2 3.5Å; M734-T760 VanDerWaalsContact CG-CG2 3.5Å; M734-T760 HydrophobicContact SD-CG2 4Å; M734-V761 HydrophobicContact CE-CG2 3.83Å
735T80.6Confident78.6Confident38 Ų3852.3 Ų52.323%0.23328%0.28CS..Hα-helixtrans-64.2-43177.3-630000111.5L729 H738 E739L729-T735 PolarHBondContact O-OG1 2.89Å; T735-H738 WeakPolarHBondContact O-CB 3.4Å; T735-H738 PolarHBondContact O-N 3.33Å; T735-H738 VanDerWaalsContact O-N 3.14Å; T735-E739 HydrophobicContact CG2-CG 4.22Å; T735-E739 WeakPolarHBondContact CG2-OE1 3.46Å; T735-E739 WeakPolarHBondContact O-CB 3.38Å; T735-E739 WeakPolarHBondContact O-CG 3.48Å; T735-E739 PolarHBondContact O-N 3.3Å
736F80.9Confident78.3Confident141 Ų14159.3 Ų59.362%0.61832%0.317SS*.Hα-helixtrans-66.2-41.8178.2-171.9-96.4000112T732 H738 E739 G740T732-F736 WeakPolarHBondContact O-CB 3.35Å; F736-H738 VanDerWaalsContact C-N 3.25Å; F736-H738 PolarHBondContact O-N 2.96Å; F736-E739 PolarHBondContact O-N 3.11Å; F736-G740 WeakPolarHBondContact O-CA 3.25Å; F736-G740 PolarHBondContact O-N 3.42Å
737I82.1Confident78.4Confident18 Ų1867.8 Ų67.89%0.09235%0.352CS..Hα-helixtrans-59.5-41.6172.1-67.8162.7000110D733 M734 N741 K753 M756 L757D733-I737 WeakPolarHBondContact O-CB 3.43Å; D733-I737 WeakPolarHBondContact O-CD1 3.39Å; D733-I737 WeakPolarHBondContact O-CG1 2.89Å; D733-I737 PolarHBondContact O-N 3.27Å; M734-I737 PolarHBondContact O-N 2.94Å; I737-N741 WeakPolarHBondContact O-CB 3.14Å; I737-N741 PolarHBondContact O-N 3.34Å; I737-N741 PolarHBondContact O-ND2 3.39Å; I737-K753 HydrophobicContact CG2-CG 4.35Å; I737-M756 HydrophobicContact CD1-CB 4.16Å; I737-M756 HydrophobicContact CD1-CE 4.5Å; I737-M756 HydrophobicContact CG1-CE 4Å; I737-M756 HydrophobicContact CG2-CB 3.81Å; I737-M756 HydrophobicContact CG2-CE 4.41Å; I737-M756 HydrophobicContact CG2-SD 4.42Å; I737-L757 HydrophobicContact CB-CD2 3.98Å; I737-L757 HydrophobicContact CG2-CD2 3.68Å; I737-L757 HydrophobicContact CG2-CG 3.75Å
738H87Confident78.7Confident39 Ų3968.3 Ų68.318%0.18136%0.355CS..Hα-helixtrans-67.5-44.8-178.9-176.670.6000113.3I600 F601 M734 T735 F736 K753I600-H738 HydrophobicContact CG2-CB 3.52Å; F601-H738 AromaticContact CD1-CE1 3.34Å; F601-H738 WeakPolarHBondContact CD1-CE1 3.4Å; F601-H738 AromaticContact CD1-ND1 3.74Å; F601-H738 AromaticContact CE1-CE1 3.46Å; F601-H738 VanDerWaalsContact CE1-CE1 3.46Å; F601-H738 WeakPolarHBondContact CE1-CE1 3.45Å; F601-H738 AromaticContact CE1-ND1 3.52Å; F601-H738 AromaticContact CG-CE1 3.94Å; F601-H738 AromaticContact CZ-ND1 3.76Å; M734-H738 VanDerWaalsContact O-CB 3.31Å; M734-H738 WeakPolarHBondContact O-CB 3.37Å; M734-H738 PolarHBondContact O-N 2.96Å; T735-H738 WeakPolarHBondContact O-CB 3.4Å; T735-H738 PolarHBondContact O-N 3.33Å; T735-H738 VanDerWaalsContact O-N 3.14Å; F736-H738 VanDerWaalsContact C-N 3.25Å; F736-H738 PolarHBondContact O-N 2.96Å; H738-K753 PolarHBondContact ND1-NZ 3.27Å; H738-K753 PolarHBondContact O-NZ 3.45Å
739E82.4Confident79.3Confident155 Ų15567.9 Ų67.972%0.72435%0.352SS*.Hα-helixtrans-80.6-35.4-177.6-68.5177.5177.700112.4T735 F736T735-E739 HydrophobicContact CG2-CG 4.22Å; T735-E739 WeakPolarHBondContact CG2-OE1 3.46Å; T735-E739 WeakPolarHBondContact O-CB 3.38Å; T735-E739 WeakPolarHBondContact O-CG 3.48Å; T735-E739 PolarHBondContact O-N 3.3Å; F736-E739 PolarHBondContact O-N 3.11Å
740G76.3Confident80Confident51 Ų5168.2 Ų68.253%0.52635%0.354SS..Hα-helixtrans-80.1-14.7-177.400000115F736F736-G740 WeakPolarHBondContact O-CA 3.25Å; F736-G740 PolarHBondContact O-N 3.42Å
741N80.8Confident81.5Confident41 Ų4160.1 Ų60.122%0.21932%0.319CS..SBendtrans-125.3131.7-178.5-58.1-87.2000110.4I737 K753I737-N741 WeakPolarHBondContact O-CB 3.14Å; I737-N741 PolarHBondContact O-N 3.34Å; I737-N741 PolarHBondContact O-ND2 3.39Å; N741-K753 HydrophobicContact CB-CB 4.17Å; N741-K753 HydrophobicContact CB-CD 3.88Å; N741-K753 HydrophobicContact CB-CG 3.97Å; N741-K753 WeakPolarHBondContact O-CD 3.32Å; N741-K753 VanDerWaalsContact O-CE 3.29Å; N741-K753 WeakPolarHBondContact O-CE 3.4Å; N741-K753 PolarHBondContact O-NZ 3.03Å
742P85.4Confident83.5Confident77 Ų7759.3 Ų59.350%0.531%0.306SS..  trans-70.4147.6176.430.3-35.4000111.3Y744 V745 N750 K753P742-Y744 PolarHBondContact O-N 2.99Å; P742-V745 HydrophobicContact CG-CG2 3.94Å; P742-N750 VanDerWaalsContact O-CB 3.3Å; P742-N750 WeakPolarHBondContact O-CB 3.14Å; P742-N750 PolarHBondContact O-ND2 2.88Å; P742-K753 WeakPolarHBondContact O-CD 3.44Å
743N88.9Confident85.4Confident40 Ų4057.8 Ų57.821%0.21430%0.296CS..SBendtrans-67.5-26.2175.1-69.4-21.3000112.7F601 N750 K753F601-N743 WeakPolarHBondContact CE1-OD1 3.37Å; N743-N750 WeakPolarHBondContact O-CB 3.34Å; N743-N750 PolarHBondContact O-N 2.99Å; N743-K753 WeakPolarHBondContact OD1-CE 3.47Å; N743-K753 PolarHBondContact OD1-NZ 3.43Å
744Y91.2Very high86.6Confident120 Ų12057 Ų5747%0.47129%0.292SS..EExtended strand (participates in β ladder)trans-132.8138.3-178.8-60.9-91.2000110.2P742 L748 V749P742-Y744 PolarHBondContact O-N 2.99Å; Y744-L748 CarbonylContact C-O 3.58Å; Y744-L748 WeakPolarHBondContact CA-O 3.18Å; Y744-L748 WeakPolarHBondContact CB-O 3.41Å; Y744-V749 HydrophobicContact CD1-CG2 4.25Å; Y744-V749 HydrophobicContact CE1-CG2 3.78Å
745V85.9Confident87Confident58 Ų5859.7 Ų59.735%0.35230%0.302SS..EExtended strand (participates in β ladder)trans-124.2125.7172.7178.30000106.5P742 K747 L748 N750P742-V745 HydrophobicContact CG-CG2 3.94Å; V745-K747 PolarHBondContact O-N 2.9Å; V745-K747 VanDerWaalsContact O-N 3.17Å; V745-L748 PolarHBondContact N-O 3.09Å; V745-L748 WeakPolarHBondContact O-CB 3.33Å; V745-L748 PolarHBondContact O-N 3.11Å; V745-N750 HydrophobicContact CG2-CB 4.15Å
746D85.2Confident87.3Confident148 Ų14860.9 Ų60.979%0.79131%0.306SS*.THydrogen-bonded Turntrans51.338.8-176-57.9-35000114.2L748D746-L748 PolarHBondContact O-N 3.24Å
747K89.5Confident87.7Confident201 Ų20154.2 Ų54.287%0.87428%0.277SS*.THydrogen-bonded Turntrans65.35.3-175.7-51.8176.1179.7176.20115V745V745-K747 PolarHBondContact O-N 2.9Å; V745-K747 VanDerWaalsContact O-N 3.17Å
748L92.3Very high88.2Confident11 Ų1153.4 Ų53.46%0.05827%0.272CS..EExtended strand (participates in β ladder)trans-95.2148.3171.9-59.2178.4000110T277 V280 T307 Y744 V745 D746 N750T277-L748 HydrophobicContact CG2-CD1 4.17Å; V280-L748 HydrophobicContact CG2-CD1 4.12Å; T307-L748 HydrophobicContact CG2-CD2 3.73Å; Y744-L748 CarbonylContact C-O 3.58Å; Y744-L748 WeakPolarHBondContact CA-O 3.18Å; Y744-L748 WeakPolarHBondContact CB-O 3.41Å; V745-L748 PolarHBondContact N-O 3.09Å; V745-L748 WeakPolarHBondContact O-CB 3.33Å; V745-L748 PolarHBondContact O-N 3.11Å; D746-L748 PolarHBondContact O-N 3.24Å; L748-N750 PolarHBondContact O-N 2.85Å
749V95.6Very high88.2Confident1 Ų158.5 Ų58.51%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-61.3127.2174.9179.10000108.5S305 G306 P308 I311 F343 Y744 F751 M754S305-V749 WeakPolarHBondContact CA-O 3.37Å; S305-V749 VanDerWaalsContact CB-O 3.24Å; S305-V749 WeakPolarHBondContact CB-O 3.31Å; G306-V749 PolarHBondContact N-O 2.87Å; G306-V749 WeakPolarHBondContact O-CB 3.48Å; G306-V749 PolarHBondContact O-N 2.85Å; P308-V749 HydrophobicContact CG-CG2 4.04Å; I311-V749 HydrophobicContact CD1-CB 4.02Å; I311-V749 HydrophobicContact CD1-CG1 4.4Å; F343-V749 HydrophobicContact CB-CB 4.43Å; F343-V749 HydrophobicContact CB-CG1 3.82Å; F343-V749 HydrophobicContact CB-CG2 3.67Å; F343-V749 HydrophobicContact CD1-CG1 3.77Å; F343-V749 HydrophobicContact CD2-CG1 4.11Å; F343-V749 HydrophobicContact CD2-CG2 3.97Å; F343-V749 HydrophobicContact CE1-CG1 4.37Å; F343-V749 HydrophobicContact CG-CB 4.44Å; F343-V749 HydrophobicContact CG-CG1 3.63Å; F343-V749 HydrophobicContact CG-CG2 3.95Å; Y744-V749 HydrophobicContact CD1-CG2 4.25Å; Y744-V749 HydrophobicContact CE1-CG2 3.78Å; V749-F751 PolarHBondContact O-N 3.38Å; V749-M754 HydrophobicContact CG1-CE 4.5Å; V749-M754 HydrophobicContact CG1-CG 4.38Å
750N92.3Very high88.5Confident12 Ų1251.6 Ų51.66%0.06426%0.263CS..EExtended strand (participates in β ladder)trans-7690.7173.4-176.5-9.1000109.7P742 N743 V745 L748 E752 K753 M754P742-N750 VanDerWaalsContact O-CB 3.3Å; P742-N750 WeakPolarHBondContact O-CB 3.14Å; P742-N750 PolarHBondContact O-ND2 2.88Å; N743-N750 WeakPolarHBondContact O-CB 3.34Å; N743-N750 PolarHBondContact O-N 2.99Å; V745-N750 HydrophobicContact CG2-CB 4.15Å; L748-N750 PolarHBondContact O-N 2.85Å; N750-E752 VanDerWaalsContact C-N 3.32Å; N750-E752 WeakPolarHBondContact OD1-CB 3.1Å; N750-E752 PolarHBondContact OD1-N 3.12Å; N750-K753 HydrophobicContact CB-CB 4.19Å; N750-K753 WeakPolarHBondContact O-CB 3.33Å; N750-K753 PolarHBondContact O-N 2.89Å; N750-K753 PolarHBondContact OD1-N 3.41Å; N750-K753 VanDerWaalsContact OD1-N 3.07Å; N750-M754 WeakPolarHBondContact O-CG 3.32Å; N750-M754 PolarHBondContact O-N 2.89Å
751F92.8Very high89.2Confident3 Ų349.2 Ų49.21%0.01324%0.238CC..Hα-helixtrans-75.9-21.7-177.5-159.5-103.8000112.6V303 M304 I311 D335 F336 F343 V749 M754 R755V303-F751 HydrophobicContact CB-CD1 3.78Å; V303-F751 HydrophobicContact CB-CE1 4.39Å; V303-F751 HydrophobicContact CB-CG 4.36Å; V303-F751 HydrophobicContact CG1-CB 3.85Å; V303-F751 HydrophobicContact CG1-CD1 3.94Å; V303-F751 HydrophobicContact CG1-CG 4.01Å; M304-F751 PolarHBondContact O-N 3.38Å; I311-F751 HydrophobicContact CD1-CB 4.35Å; I311-F751 HydrophobicContact CD1-CD2 4.11Å; I311-F751 HydrophobicContact CD1-CG 4.48Å; I311-F751 HydrophobicContact CG2-CD2 4.09Å; I311-F751 HydrophobicContact CG2-CE2 3.98Å; I311-F751 HydrophobicContact CG2-CZ 4.42Å; D335-F751 HydrophobicContact CB-CZ 4.25Å; F336-F751 HydrophobicContact CB-CE2 4.24Å; F336-F751 HydrophobicContact CB-CZ 4.04Å; F336-F751 HydrophobicContact CD2-CE2 4.14Å; F343-F751 HydrophobicContact CZ-CD2 4.48Å; F343-F751 HydrophobicContact CZ-CE2 4.25Å; V749-F751 PolarHBondContact O-N 3.38Å; F751-M754 HydrophobicContact CD2-CB 4.12Å; F751-M754 HydrophobicContact CD2-CG 4.39Å; F751-M754 HydrophobicContact CE2-CB 4.42Å; F751-M754 PolarHBondContact O-N 2.76Å; F751-R755 WeakPolarHBondContact O-CB 3.49Å; F751-R755 PolarHBondContact O-N 3.06Å
752E87.8Confident89.6Confident36 Ų3649.7 Ų49.717%0.16824%0.238CC..Hα-helixtrans-59.5-47.4168.6-176.6177.1-159.500110.7S166 M304 N750 M754 R755 M756S166-E752 PolarHBondContact OG-OE1 2.98Å; M304-E752 HydrophobicContact CE-CB 4.06Å; M304-E752 HydrophobicContact CE-CG 4.13Å; M304-E752 VanDerWaalsContact CE-OE2 3.25Å; M304-E752 WeakPolarHBondContact CE-OE2 3.34Å; M304-E752 PolarHBondContact O-N 3.28Å; M304-E752 VanDerWaalsContact O-N 3.15Å; N750-E752 VanDerWaalsContact C-N 3.32Å; N750-E752 WeakPolarHBondContact OD1-CB 3.1Å; N750-E752 PolarHBondContact OD1-N 3.12Å; E752-M754 VanDerWaalsContact C-N 3.33Å; E752-M754 PolarHBondContact O-N 3.35Å; E752-R755 PolarHBondContact O-N 3.36Å; E752-M756 WeakPolarHBondContact O-CG 3.36Å; E752-M756 PolarHBondContact O-N 2.87Å
753K88.6Confident89.8Confident3 Ų349.4 Ų49.41%0.01323%0.231CC..Hα-helixtrans-57.3-45.7173.2179-177.4-174.5171.30111.7I737 H738 N741 P742 N743 N750 R755 M756 L757I737-K753 HydrophobicContact CG2-CG 4.35Å; H738-K753 PolarHBondContact ND1-NZ 3.27Å; H738-K753 PolarHBondContact O-NZ 3.45Å; N741-K753 HydrophobicContact CB-CB 4.17Å; N741-K753 HydrophobicContact CB-CD 3.88Å; N741-K753 HydrophobicContact CB-CG 3.97Å; N741-K753 WeakPolarHBondContact O-CD 3.32Å; N741-K753 VanDerWaalsContact O-CE 3.29Å; N741-K753 WeakPolarHBondContact O-CE 3.4Å; N741-K753 PolarHBondContact O-NZ 3.03Å; P742-K753 WeakPolarHBondContact O-CD 3.44Å; N743-K753 WeakPolarHBondContact OD1-CE 3.47Å; N743-K753 PolarHBondContact OD1-NZ 3.43Å; N750-K753 HydrophobicContact CB-CB 4.19Å; N750-K753 WeakPolarHBondContact O-CB 3.33Å; N750-K753 PolarHBondContact O-N 2.89Å; N750-K753 PolarHBondContact OD1-N 3.41Å; N750-K753 VanDerWaalsContact OD1-N 3.07Å; K753-R755 VanDerWaalsContact C-N 3.33Å; K753-R755 PolarHBondContact O-N 2.97Å; K753-M756 PolarHBondContact O-N 3.3Å; K753-L757 HydrophobicContact CG-CD1 4.24Å; K753-L757 WeakPolarHBondContact O-CG 3.21Å; K753-L757 PolarHBondContact O-N 3.28Å; K753-L757 VanDerWaalsContact O-N 3.07Å
754M92.9Very high89.9Confident1 Ų147.6 Ų47.61%0.00522%0.222CC..Hα-helixtrans-61.1-43179.8-60.2-48.714300111.5T339 V342 F343 F601 V749 N750 F751 E752 L757 A758T339-M754 HydrophobicContact CG2-CB 4.16Å; V342-M754 HydrophobicContact CB-SD 4.35Å; V342-M754 HydrophobicContact CG1-CE 3.96Å; V342-M754 HydrophobicContact CG1-SD 4.08Å; F343-M754 HydrophobicContact CD1-CG 4.15Å; F343-M754 HydrophobicContact CD1-SD 4.33Å; F343-M754 HydrophobicContact CE1-CG 4.06Å; F601-M754 HydrophobicContact CZ-CE 4.37Å; F601-M754 HydrophobicContact CZ-SD 4.29Å; V749-M754 HydrophobicContact CG1-CE 4.5Å; V749-M754 HydrophobicContact CG1-CG 4.38Å; N750-M754 WeakPolarHBondContact O-CG 3.32Å; N750-M754 PolarHBondContact O-N 2.89Å; F751-M754 HydrophobicContact CD2-CB 4.12Å; F751-M754 HydrophobicContact CD2-CG 4.39Å; F751-M754 HydrophobicContact CE2-CB 4.42Å; F751-M754 PolarHBondContact O-N 2.76Å; E752-M754 VanDerWaalsContact C-N 3.33Å; E752-M754 PolarHBondContact O-N 3.35Å; M754-L757 PolarHBondContact O-N 2.85Å; M754-A758 WeakPolarHBondContact O-CB 3.45Å; M754-A758 PolarHBondContact O-N 2.7Å
755R89.4Confident89.8Confident60 Ų6045.2 Ų45.223%0.22621%0.212CC..Hα-helixtrans-62.4-41.2174.8178.8171.561.9-125.32.2112.5V303 M304 F751 E752 K753 L757 A758 K759V303-R755 PolarHBondContact O-NH1 3.15Å; M304-R755 PolarHBondContact SD-NH2 2.67Å; F751-R755 WeakPolarHBondContact O-CB 3.49Å; F751-R755 PolarHBondContact O-N 3.06Å; E752-R755 PolarHBondContact O-N 3.36Å; K753-R755 VanDerWaalsContact C-N 3.33Å; K753-R755 PolarHBondContact O-N 2.97Å; R755-L757 VanDerWaalsContact C-N 3.34Å; R755-L757 PolarHBondContact O-N 3.09Å; R755-A758 PolarHBondContact O-N 2.65Å; R755-K759 WeakPolarHBondContact O-CB 3.39Å; R755-K759 PolarHBondContact O-N 3.26Å
756M86.1Confident89.9Confident63 Ų6343.9 Ų43.931%0.3121%0.21SC..Hα-helixtrans-60.7-42.7175.4-68.4174.279.100112I737 E752 K753 T760I737-M756 HydrophobicContact CD1-CB 4.16Å; I737-M756 HydrophobicContact CD1-CE 4.5Å; I737-M756 HydrophobicContact CG1-CE 4Å; I737-M756 HydrophobicContact CG2-CB 3.81Å; I737-M756 HydrophobicContact CG2-CE 4.41Å; I737-M756 HydrophobicContact CG2-SD 4.42Å; E752-M756 WeakPolarHBondContact O-CG 3.36Å; E752-M756 PolarHBondContact O-N 2.87Å; K753-M756 PolarHBondContact O-N 3.3Å; M756-T760 PolarHBondContact O-N 2.97Å; M756-T760 PolarHBondContact O-OG1 3.45Å
757L90.2Very high90.1Very high1 Ų136.8 Ų36.81%0.00517%0.172CC..Hα-helixtrans-67.5-47.2176.6-68.4170.1000111.7F601 M734 I737 K753 M754 R755 K759 T760 V761F601-L757 HydrophobicContact CE2-CD1 3.48Å; F601-L757 VanDerWaalsContact CE2-CD1 3.48Å; F601-L757 HydrophobicContact CZ-CD1 3.59Å; M734-L757 HydrophobicContact CB-CD2 4.26Å; M734-L757 HydrophobicContact CE-CD2 4.17Å; I737-L757 HydrophobicContact CB-CD2 3.98Å; I737-L757 HydrophobicContact CG2-CD2 3.68Å; I737-L757 HydrophobicContact CG2-CG 3.75Å; K753-L757 HydrophobicContact CG-CD1 4.24Å; K753-L757 WeakPolarHBondContact O-CG 3.21Å; K753-L757 PolarHBondContact O-N 3.28Å; K753-L757 VanDerWaalsContact O-N 3.07Å; M754-L757 PolarHBondContact O-N 2.85Å; R755-L757 VanDerWaalsContact C-N 3.34Å; R755-L757 PolarHBondContact O-N 3.09Å; L757-K759 VanDerWaalsContact C-N 3.28Å; L757-K759 PolarHBondContact O-N 2.81Å; L757-T760 WeakPolarHBondContact O-CB 3.36Å; L757-T760 PolarHBondContact O-N 3.43Å; L757-V761 PolarHBondContact O-N 2.99Å; L757-V761 VanDerWaalsContact O-N 3.09Å
758A91Very high90.1Very high0 Ų029.9 Ų29.90%014%0.14CC..Hα-helixtrans-59.8-37.3177.300000112.5D335 L338 T339 M754 R755 T760 V761 K762D335-A758 HydrophobicContact CB-CB 4.01Å; D335-A758 WeakPolarHBondContact OD1-CB 3.26Å; L338-A758 HydrophobicContact CB-CB 4.27Å; L338-A758 HydrophobicContact CD1-CB 4.01Å; T339-A758 HydrophobicContact CG2-CB 4.21Å; M754-A758 WeakPolarHBondContact O-CB 3.45Å; M754-A758 PolarHBondContact O-N 2.7Å; R755-A758 PolarHBondContact O-N 2.65Å; A758-T760 VanDerWaalsContact C-N 3.3Å; A758-T760 PolarHBondContact O-N 3.32Å; A758-V761 PolarHBondContact O-N 3.41Å; A758-K762 WeakPolarHBondContact O-CB 3.46Å; A758-K762 VanDerWaalsContact O-CG 3.28Å; A758-K762 WeakPolarHBondContact O-CG 3.5Å; A758-K762 PolarHBondContact O-N 3.47Å
759K88.3Confident89.8Confident147 Ų14732.9 Ų32.964%0.63916%0.163SC*.Hα-helixtrans-57.7-43.2173-174.3179.3179.9-177.90111.6R755 L757 K762 I763R755-K759 WeakPolarHBondContact O-CB 3.39Å; R755-K759 PolarHBondContact O-N 3.26Å; L757-K759 VanDerWaalsContact C-N 3.28Å; L757-K759 PolarHBondContact O-N 2.81Å; K759-K762 PolarHBondContact O-N 3.24Å; K759-I763 WeakPolarHBondContact O-CG1 3.36Å; K759-I763 PolarHBondContact O-N 3.47Å
760T88.1Confident89.2Confident10 Ų1037.8 Ų37.86%0.06119%0.185CC..Hα-helixtrans-66.5-41.3178.2-500000111.6L728 D733 M734 M756 L757 A758 K762 I763 V764L728-T760 HydrophobicContact CD2-CG2 4.45Å; D733-T760 HydrophobicContact CB-CG2 4.19Å; M734-T760 HydrophobicContact CG-CG2 3.5Å; M734-T760 VanDerWaalsContact CG-CG2 3.5Å; M734-T760 HydrophobicContact SD-CG2 4Å; M756-T760 PolarHBondContact O-N 2.97Å; M756-T760 PolarHBondContact O-OG1 3.45Å; L757-T760 WeakPolarHBondContact O-CB 3.36Å; L757-T760 PolarHBondContact O-N 3.43Å; A758-T760 VanDerWaalsContact C-N 3.3Å; A758-T760 PolarHBondContact O-N 3.32Å; T760-K762 VanDerWaalsContact C-N 3.34Å; T760-K762 PolarHBondContact O-N 3.24Å; T760-I763 WeakPolarHBondContact O-CB 3.42Å; T760-I763 PolarHBondContact O-N 2.89Å; T760-V764 PolarHBondContact O-N 3.28Å
761V91.2Very high88.4Confident0 Ų041.2 Ų41.20%021%0.209CC..Hα-helixtrans-62.2-41.4174.2177.60000111.5L338 E593 L596 V597 M734 L757 A758 I763 V764 R765L338-V761 HydrophobicContact CD1-CB 4.33Å; L338-V761 HydrophobicContact CD1-CG1 4.15Å; L338-V761 HydrophobicContact CD2-CG1 3.88Å; E593-V761 HydrophobicContact CB-CG1 3.69Å; E593-V761 HydrophobicContact CG-CG1 4.27Å; L596-V761 HydrophobicContact CB-CG2 4.15Å; L596-V761 HydrophobicContact CD1-CB 4.46Å; L596-V761 HydrophobicContact CD1-CG1 4.24Å; L596-V761 HydrophobicContact CD1-CG2 4.16Å; V597-V761 HydrophobicContact CG2-CG2 3.97Å; M734-V761 HydrophobicContact CE-CG2 3.83Å; L757-V761 PolarHBondContact O-N 2.99Å; L757-V761 VanDerWaalsContact O-N 3.09Å; A758-V761 PolarHBondContact O-N 3.41Å; V761-I763 VanDerWaalsContact C-N 3.3Å; V761-I763 PolarHBondContact O-N 3.49Å; V761-V764 WeakPolarHBondContact O-CB 2.96Å; V761-V764 PolarHBondContact O-N 3.5Å; V761-V764 VanDerWaalsContact O-N 3.14Å; V761-R765 PolarHBondContact O-N 3.22Å
762K89.6Confident87.8Confident51 Ų5143.7 Ų43.722%0.22222%0.218CC..Hα-helixtrans-64.5-30.3176.4-73.8170.2177.41760112.9P331 S334 D335 L338 A758 K759 T760 V764 R765 G766P331-K762 PolarHBondContact O-NZ 3.37Å; S334-K762 WeakPolarHBondContact OG-CE 3.31Å; D335-K762 VanDerWaalsContact CG-NZ 3.34Å; D335-K762 VanDerWaalsContact OD1-CE 3.29Å; D335-K762 WeakPolarHBondContact OD1-CE 3.47Å; D335-K762 IonicContact OD1-NZ 2.71Å; D335-K762 PolarHBondContact OD1-NZ 3.43Å; D335-K762 IonicContact OD2-NZ 3.8Å; L338-K762 HydrophobicContact CD1-CG 4.06Å; A758-K762 WeakPolarHBondContact O-CB 3.46Å; A758-K762 VanDerWaalsContact O-CG 3.28Å; A758-K762 WeakPolarHBondContact O-CG 3.5Å; A758-K762 PolarHBondContact O-N 3.47Å; K759-K762 PolarHBondContact O-N 3.24Å; T760-K762 VanDerWaalsContact C-N 3.34Å; T760-K762 PolarHBondContact O-N 3.24Å; K762-V764 VanDerWaalsContact C-N 3.35Å; K762-R765 WeakPolarHBondContact O-CB 3.33Å; K762-R765 PolarHBondContact O-N 3.41Å; K762-G766 PolarHBondContact O-N 2.99Å
763I88.8Confident87.2Confident71 Ų7147.6 Ų47.636%0.36424%0.244SC..Hα-helixtrans-59.8-48.5171.4-68.4167.5000109.5K759 T760 V761 R765 G766 C767K759-I763 WeakPolarHBondContact O-CG1 3.36Å; K759-I763 PolarHBondContact O-N 3.47Å; T760-I763 WeakPolarHBondContact O-CB 3.42Å; T760-I763 PolarHBondContact O-N 2.89Å; V761-I763 VanDerWaalsContact C-N 3.3Å; V761-I763 PolarHBondContact O-N 3.49Å; I763-R765 VanDerWaalsContact C-N 3.31Å; I763-R765 PolarHBondContact O-N 2.9Å; I763-G766 WeakPolarHBondContact O-CA 3.43Å; I763-G766 PolarHBondContact O-N 3.21Å; I763-C767 PolarHBondContact O-N 3.47Å; I763-C767 PolarHBondContact O-SG 2.88Å
764V90.5Very high86Confident2 Ų249.5 Ų49.51%0.01226%0.257CS..Hα-helixtrans-59.2-42.4177.2177.10000111.4F588 M591 L596 L728 T760 V761 K762 G766 C767F588-V764 HydrophobicContact CE2-CG1 3.61Å; F588-V764 HydrophobicContact CZ-CG1 3.7Å; M591-V764 HydrophobicContact CE-CG1 3.85Å; L596-V764 HydrophobicContact CD1-CB 4.13Å; L596-V764 HydrophobicContact CD1-CG1 4.23Å; L596-V764 HydrophobicContact CD1-CG2 3.91Å; L728-V764 HydrophobicContact CD1-CG2 3.89Å; T760-V764 PolarHBondContact O-N 3.28Å; V761-V764 WeakPolarHBondContact O-CB 2.96Å; V761-V764 PolarHBondContact O-N 3.5Å; V761-V764 VanDerWaalsContact O-N 3.14Å; K762-V764 VanDerWaalsContact C-N 3.35Å; V764-G766 VanDerWaalsContact C-N 3.33Å; V764-G766 PolarHBondContact O-N 2.78Å; V764-C767 WeakPolarHBondContact O-CB 3.46Å; V764-C767 PolarHBondContact O-N 3.27Å
765R88.9Confident84Confident70 Ų7053.7 Ų53.726%0.26429%0.286SS..Hα-helixtrans-58.9-43.7172.9-170.2-168.2-65.3161.8-4.7111.7S334 E593 V761 K762 I763 R768 S769S334-R765 PolarHBondContact OG-NH1 3.12Å; E593-R765 VanDerWaalsContact CD-NH2 3.29Å; E593-R765 IonicContact OE1-CZ 2.84Å; E593-R765 IonicContact OE1-NE 3.73Å; E593-R765 PolarHBondContact OE1-NE 2.93Å; E593-R765 IonicContact OE1-NH2 3.15Å; E593-R765 PolarHBondContact OE1-NH2 3.34Å; E593-R765 IonicContact OE2-CZ 2.89Å; E593-R765 IonicContact OE2-NE 2.71Å; E593-R765 PolarHBondContact OE2-NE 3.05Å; E593-R765 IonicContact OE2-NH2 3.6Å; E593-R765 PolarHBondContact OE2-NH2 3.37Å; V761-R765 PolarHBondContact O-N 3.22Å; K762-R765 WeakPolarHBondContact O-CB 3.33Å; K762-R765 PolarHBondContact O-N 3.41Å; I763-R765 VanDerWaalsContact C-N 3.31Å; I763-R765 PolarHBondContact O-N 2.9Å; R765-R768 WeakPolarHBondContact O-CG 3.36Å; R765-R768 PolarHBondContact O-N 3.19Å; R765-S769 PolarHBondContact O-N 2.88Å
766G88.9Confident82Confident30 Ų3053 Ų5331%0.30929%0.29SS..Hα-helixtrans-62.4-38.717700000113.4P719 K762 I763 V764 R768 S769P719-G766 WeakPolarHBondContact CB-O 3.2Å; P719-G766 WeakPolarHBondContact CG-O 3.33Å; K762-G766 PolarHBondContact O-N 2.99Å; I763-G766 WeakPolarHBondContact O-CA 3.43Å; I763-G766 PolarHBondContact O-N 3.21Å; V764-G766 VanDerWaalsContact C-N 3.33Å; V764-G766 PolarHBondContact O-N 2.78Å; G766-R768 PolarHBondContact O-N 3.45Å; G766-S769 WeakPolarHBondContact O-CB 3.32Å; G766-S769 PolarHBondContact O-N 2.99Å; G766-S769 PolarHBondContact O-OG 3.29Å
767C90.4Very high79.7Confident0 Ų056.2 Ų56.20%032%0.316CS..Hα-helixtrans-57.7-31.5178.1-62.20000113.4F588 P720 Y721 I763 V764F588-C767 HydrophobicContact CE1-CB 4.27Å; F588-C767 HydrophobicContact CZ-CB 4.22Å; P720-C767 WeakPolarHBondContact CA-O 3.46Å; Y721-C767 HydrophobicContact CE1-CB 4.46Å; Y721-C767 HydrophobicContact CE2-CB 4.3Å; Y721-C767 WeakPolarHBondContact CE2-SG 3.45Å; Y721-C767 PolarHBondContact N-O 2.88Å; Y721-C767 VanDerWaalsContact N-O 3.09Å; Y721-C767 WeakPolarHBondContact O-CB 3.5Å; Y721-C767 PolarHBondContact OH-SG 3.29Å; Y721-C767 VanDerWaalsContact OH-SG 3.39Å; I763-C767 PolarHBondContact O-N 3.47Å; I763-C767 PolarHBondContact O-SG 2.88Å; V764-C767 WeakPolarHBondContact O-CB 3.46Å; V764-C767 PolarHBondContact O-N 3.27Å
768R87.9Confident77.4Confident55 Ų5564.5 Ų64.521%0.20836%0.355CS..THydrogen-bonded Turntrans-11018.6-178.166.6-175.5179.9178.93.2114W585 F588 M591 R765 G766 Q770W585-R768 HydrophobicContact CH2-CB 4.36Å; W585-R768 HydrophobicContact CZ3-CB 3.84Å; F588-R768 HydrophobicContact CE1-CB 4Å; F588-R768 PolarHBondContact O-NH1 3.28Å; M591-R768 PolarHBondContact O-NH1 3.05Å; R765-R768 WeakPolarHBondContact O-CG 3.36Å; R765-R768 PolarHBondContact O-N 3.19Å; G766-R768 PolarHBondContact O-N 3.45Å; R768-Q770 VanDerWaalsContact C-N 3.25Å; R768-Q770 PolarHBondContact O-N 3.41Å
769S85.5Confident75.3Confident75 Ų7567.8 Ų67.852%0.52437%0.367SS..SBendtrans-73.4-15.9-176.772.80000114R765 G766R765-S769 PolarHBondContact O-N 2.88Å; G766-S769 WeakPolarHBondContact O-CB 3.32Å; G766-S769 PolarHBondContact O-N 2.99Å; G766-S769 PolarHBondContact O-OG 3.29Å
770Q83.4Confident72.8Confident103 Ų10363.4 Ų63.448%0.48136%0.363SS..SBendtrans-113145.2173.3-68.8-172.22.700109.4P719 P720 R768 Y772P719-Q770 HydrophobicContact CB-CG 4.36Å; P719-Q770 PolarHBondContact O-OE1 3.48Å; P719-Q770 VanDerWaalsContact O-OE1 3.09Å; P720-Q770 HydrophobicContact CB-CB 4.37Å; P720-Q770 WeakPolarHBondContact CB-O 3.17Å; P720-Q770 HydrophobicContact CG-CB 4.34Å; R768-Q770 VanDerWaalsContact C-N 3.25Å; R768-Q770 PolarHBondContact O-N 3.41Å; Q770-Y772 PolarHBondContact O-N 2.97Å
771P76.9Confident70.2Confident85 Ų8569 Ų6955%0.55239%0.393SS*.  trans-66.6133.5178.327.2-33.4000110.5V773P771-V773 PolarHBondContact O-N 3Å
772Y80.1Confident67.5Low55 Ų5571.6 Ų71.622%0.21641%0.413CS..  trans-76.9117.9169.1169.6-107.6000109.5T581 N582 W585 Q770 P774T581-Y772 HydrophobicContact CG2-CE2 4.09Å; N582-Y772 WeakPolarHBondContact OD1-CE1 3.2Å; N582-Y772 PolarHBondContact OD1-OH 3.34Å; W585-Y772 HydrophobicContact CB-CD1 4.11Å; W585-Y772 AromaticContact CD1-CD1 3.35Å; W585-Y772 AromaticContact CD1-CD2 3.7Å; W585-Y772 AromaticContact CD1-CE1 3.57Å; W585-Y772 AromaticContact CD1-CE2 3.92Å; W585-Y772 AromaticContact CD1-CG 3.41Å; W585-Y772 VanDerWaalsContact CD1-CG 3.41Å; W585-Y772 AromaticContact CD1-CZ 3.86Å; W585-Y772 HydrophobicContact CD2-CD1 4.3Å; W585-Y772 AromaticContact CD2-CG 3.99Å; W585-Y772 HydrophobicContact CD2-CG 3.99Å; W585-Y772 AromaticContact CE2-CD2 3.96Å; W585-Y772 AromaticContact CE2-CG 3.76Å; W585-Y772 AromaticContact CG-CD1 3.67Å; W585-Y772 HydrophobicContact CG-CD1 3.67Å; W585-Y772 HydrophobicContact CG-CD2 4.49Å; W585-Y772 HydrophobicContact CG-CE1 4.22Å; W585-Y772 AromaticContact CG-CG 3.82Å; W585-Y772 HydrophobicContact CG-CG 3.82Å; W585-Y772 AromaticContact NE1-CD1 3.84Å; W585-Y772 AromaticContact NE1-CD2 3.31Å; W585-Y772 VanDerWaalsContact NE1-CD2 3.31Å; W585-Y772 AromaticContact NE1-CE2 3.75Å; W585-Y772 AromaticContact NE1-CG 3.36Å; Q770-Y772 PolarHBondContact O-N 2.97Å; Y772-P774 HydrophobicContact CD1-CG 4.35Å; Y772-P774 HydrophobicContact CE1-CB 4.31Å; Y772-P774 HydrophobicContact CE1-CG 3.91Å
773V73.9Confident65.1Low117 Ų11773.5 Ų73.571%0.70943%0.426SS*.  trans-101.1113.4174.7-177.50000108.7P771 S775P771-V773 PolarHBondContact O-N 3Å; V773-S775 PolarHBondContact O-N 3.41Å
774P64Low62.6Low44 Ų4479.1 Ų79.129%0.28644%0.443SS..  trans-60.1132.4177.4-21.131.2000110.9Y772 S776Y772-P774 HydrophobicContact CD1-CG 4.35Å; Y772-P774 HydrophobicContact CE1-CB 4.31Å; Y772-P774 HydrophobicContact CE1-CG 3.91Å; P774-S776 PolarHBondContact O-N 3.17Å
775S50.1Low59.8Low89 Ų8986.7 Ų86.762%0.62248%0.48SS*.SBendtrans-68.517.4-174.340.80000116.4V773V773-S775 PolarHBondContact O-N 3.41Å
776S48.3Very low57.3Low45 Ų4592.2 Ų92.232%0.31551%0.506SS..  trans-106.1117.5178.664.40000112.2P774 Q778P774-S776 PolarHBondContact O-N 3.17Å; S776-Q778 PolarHBondContact O-N 2.64Å
777P38.7Very low54.8Low131 Ų13197.9 Ų97.985%0.85153%0.529SS*.THydrogen-bonded Turntrans-64.1-11.9-177.2-20.830.9000115.9
778Q41.7Very low52Low174 Ų174105.7 Ų105.781%0.81357%0.57SS**THydrogen-bonded Turntrans-89.9-10.8-172.5-69179.8-19.500114.4S776S776-Q778 PolarHBondContact O-N 2.64Å
779R45.4Very low49Very low70 Ų70106.2 Ų106.226%0.26459%0.593SS.*Hα-helixtrans-88.7-21.6-174.4-74.4-170.3-178.31695.9115E579 N582 L781 D783E579-R779 IonicContact OE1-CZ 3.41Å; E579-R779 IonicContact OE1-NH1 2.6Å; E579-R779 PolarHBondContact OE1-NH1 3.49Å; E579-R779 IonicContact OE1-NH2 3.71Å; E579-R779 PolarHBondContact OE1-NH2 2.84Å; E579-R779 IonicContact OE2-NH2 2.91Å; N582-R779 PolarHBondContact ND2-NH1 3.3Å; N582-R779 VanDerWaalsContact ND2-NH1 3.14Å; R779-L781 PolarHBondContact O-N 2.92Å; R779-D783 PolarHBondContact O-N 3.31Å
780G36.1Very low46.2Very low54 Ų54108.4 Ų108.456%0.55761%0.605SS**Hα-helixtrans-66.6-19.6-178.900000115.2
781L33.9Very low43.8Very low129 Ų129108.6 Ų108.668%0.67563%0.625SS**Hα-helixtrans-101.3-32.4179.1-81.6161000113.2R779 R784R779-L781 PolarHBondContact O-N 2.92Å; L781-R784 PolarHBondContact O-N 3.38Å
782A35Very low41.3Very low53 Ų53111.3 Ų111.344%0.43864%0.64SS.*Hα-helixtrans-73.6-39-178.700000112.7R784 M785A782-R784 PolarHBondContact O-N 2.93Å; A782-M785 PolarHBondContact O-N 3.47Å
783D38.3Very low38.8Very low92 Ų92119.9 Ų119.949%0.49267%0.672SS.*THydrogen-bonded Turntrans-69.2-13.4173.8-84.2-18000112.2R461 R779R461-D783 IonicContact CZ-OD1 3.34Å; R461-D783 IonicContact NE-OD1 3.69Å; R461-D783 IonicContact NH2-OD1 3.22Å; R461-D783 PolarHBondContact NH2-OD1 3.24Å; R461-D783 IonicContact NH2-OD2 2.7Å; R779-D783 PolarHBondContact O-N 3.31Å
784R36.6Very low36.5Very low188 Ų188123.2 Ų123.271%0.70968%0.684SS**THydrogen-bonded Turntrans-85.3-17.6175.7-77.9-170173.9-177.40.3114.8L781 A782L781-R784 PolarHBondContact O-N 3.38Å; A782-R784 PolarHBondContact O-N 2.93Å
785M32.1Very low34.7Very low161 Ų161126.6 Ų126.679%0.79371%0.709SS**THydrogen-bonded Turntrans-102.1-7.8-175.8-71.4-175.58600114.6A782A782-M785 PolarHBondContact O-N 3.47Å
786F36.1Very low33.9Very low186 Ų186127.6 Ų127.682%0.81671%0.712SS**THydrogen-bonded Turntrans-9311.9-178.4-88.8-80.4000115.1D788F786-D788 VanDerWaalsContact C-N 3.32Å
787L36.7Very low32.8Very low150 Ų150135.9 Ų135.979%0.78574%0.738SS**THydrogen-bonded Turntrans-80.3-6.3177.4-75.7169.1000114.4
788D30.5Very low32.2Very low163 Ų163134.2 Ų134.287%0.87273%0.729SS**SBendtrans-134.9104.4176.8-89.8-34.1000111.9F786F786-D788 VanDerWaalsContact C-N 3.32Å
789G25.5Very low31.9Very low66 Ų66133.5 Ų133.568%0.6873%0.731SS**  trans171127.1166.200000112.8
790P27.3Very low31.2Very low121 Ų121138.1 Ų138.179%0.78676%0.755SS**  trans-72.4146.1-178.629.5-31.4000111.4T792P790-T792 PolarHBondContact O-N 2.8Å; P790-T792 VanDerWaalsContact O-N 3.12Å; P790-T792 PolarHBondContact O-OG1 3.32Å
791A32.3Very low31.6Very low107 Ų107140.7 Ų140.788%0.88477%0.771SS**  trans-43.5113.9178.700000112.3
792T25.8Very low31.7Very low142 Ų142142.3 Ų142.387%0.87177%0.773SS**PPolyproline II helixtrans-97.2131.6172.6-45.30000109.6P790P790-T792 PolarHBondContact O-N 2.8Å; P790-T792 VanDerWaalsContact O-N 3.12Å; P790-T792 PolarHBondContact O-OG1 3.32Å
793R26Very low32.1Very low236 Ų236144.6 Ų144.689%0.89178%0.784SS**PPolyproline II helixtrans-51.6142.8-166.9-66.4172.5170.7177.1-4115.2S795R793-S795 PolarHBondContact O-N 3.04Å
794L27.2Very low32.7Very low186 Ų186143.1 Ų143.197%0.97478%0.776SS**PPolyproline II helixtrans-58.9124.1159.4-87.9102.7000109.8
795S24.5Very low33.6Very low115 Ų115144.2 Ų144.280%0.80478%0.78SS**  trans-113.3136.5165.5176.80000108.8R793R793-S795 PolarHBondContact O-N 3.04Å
796T34.5Very low35.6Very low111 Ų111138.4 Ų138.468%0.68176%0.755SS**  trans-75.3160.4175.943.20000112.3
797Y25.7Very low37.4Very low218 Ų218132.7 Ų132.786%0.85574%0.736SS**  trans83.6110.3168.1-70.7-86.6000120
798S25.9Very low39.4Very low96 Ų96129.7 Ų129.767%0.67173%0.728SS**  157138.488.953.20000111.8H800S798-H800 PolarHBondContact O-N 3.35Å
799D34.8Very low42Very low160 Ų160124.1 Ų124.186%0.85670%0.698SS**  trans-6898.4175-76-47.4000111.4
800H31Very low44.9Very low167 Ų167121 Ų12177%0.77367%0.666SS**  trans-147.9139.5155.9-81.1-55000111.4S798 F802S798-H800 PolarHBondContact O-N 3.35Å; H800-F802 WeakPolarHBondContact O-CD2 3.38Å; H800-F802 WeakPolarHBondContact O-CE2 3.2Å; H800-F802 PolarHBondContact O-N 3.18Å
801A43.4Very low47.8Very low108 Ų108116.8 Ų116.889%0.89363%0.634SS**  trans-44.2113.8-171.300000114.9
802F35.6Very low50.5Low162 Ų162117.4 Ų117.471%0.71162%0.619SS**  trans-95.9148.9168.6-74-81000110.8H800 L804H800-F802 WeakPolarHBondContact O-CD2 3.38Å; H800-F802 WeakPolarHBondContact O-CE2 3.2Å; H800-F802 PolarHBondContact O-N 3.18Å; F802-L804 PolarHBondContact O-N 3.42Å
803P44.8Very low53.6Low102 Ų102112.4 Ų112.466%0.66258%0.584SS**  trans-66108-175.924.9-31.5000111R805 S806 N809P803-R805 PolarHBondContact O-N 3.3Å; P803-S806 PolarHBondContact O-N 2.93Å; P803-N809 PolarHBondContact O-ND2 3.12Å
804L50.8Low56.8Low61 Ų61101.3 Ų101.332%0.31954%0.542SS..THydrogen-bonded Turntrans-61.31.5-178-78153.9000115.4L567 Q570 F802L567-L804 HydrophobicContact CD2-CD1 3.96Å; L567-L804 HydrophobicContact CD2-CD2 3.61Å; L567-L804 HydrophobicContact CD2-CG 4.45Å; Q570-L804 VanDerWaalsContact OE1-CD1 3.23Å; F802-L804 PolarHBondContact O-N 3.42Å
805R55.6Low59.7Low211 Ų21195.8 Ų95.880%0.79651%0.512SS*.THydrogen-bonded Turntrans-91.7-1.9178.4-68.7-168.8-179.4178.33.3114.7P803P803-R805 PolarHBondContact O-N 3.3Å
806S72.9Confident62.9Low39 Ų3995.4 Ų95.427%0.27350%0.501SS..SBendtrans-71.1137.1178.684.70000110.7P803 S808 N809 I810P803-S806 PolarHBondContact O-N 2.93Å; S806-S808 PolarHBondContact O-N 2.93Å; S806-S808 VanDerWaalsContact O-N 3.15Å; S806-N809 PolarHBondContact O-N 2.98Å; S806-N809 VanDerWaalsContact O-N 3.07Å; S806-N809 PolarHBondContact OG-N 3.44Å; S806-N809 PolarHBondContact OG-ND2 2.99Å; S806-N809 PolarHBondContact OG-OD1 3.35Å; S806-I810 PolarHBondContact O-N 2.98Å
807P73.9Confident65.7Low66 Ų6691.2 Ų91.243%0.42947%0.474SS..Hα-helixtrans-55.9-30.6175.6-27.634.8000113.4I810 R811P807-I810 PolarHBondContact O-N 3.49Å; P807-R811 WeakPolarHBondContact O-CB 3.09Å; P807-R811 PolarHBondContact O-N 2.89Å
808S80Confident68.9Low86 Ų8688.7 Ų88.760%0.60147%0.467SS*.Hα-helixtrans-64.2-39.3176.8-52.30000112.6S806 R811 Q812S806-S808 PolarHBondContact O-N 2.93Å; S806-S808 VanDerWaalsContact O-N 3.15Å; S808-R811 PolarHBondContact O-N 3.49Å; S808-Q812 PolarHBondContact O-N 3.33Å
809N84.2Confident72.2Confident46 Ų4684.3 Ų84.325%0.24644%0.437CS..Hα-helixtrans-70.1-40.8178.6-67.7-9.3000111.2P803 S806 R811 Q812 Y813P803-N809 PolarHBondContact O-ND2 3.12Å; S806-N809 PolarHBondContact O-N 2.98Å; S806-N809 VanDerWaalsContact O-N 3.07Å; S806-N809 PolarHBondContact OG-N 3.44Å; S806-N809 PolarHBondContact OG-ND2 2.99Å; S806-N809 PolarHBondContact OG-OD1 3.35Å; N809-R811 VanDerWaalsContact C-N 3.31Å; N809-R811 PolarHBondContact O-N 3.17Å; N809-Q812 PolarHBondContact O-N 3.04Å; N809-Y813 PolarHBondContact O-N 2.98Å
810I87.1Confident75.2Confident1 Ų176.7 Ų76.71%0.00540%0.396CS..Hα-helixtrans-62.2-42.7176.1-59.7177.8000110.1M571 D575 I576 E579 S806 P807 Y813 I814M571-I810 HydrophobicContact CB-CD1 4.36Å; M571-I810 HydrophobicContact CE-CG1 4.39Å; M571-I810 HydrophobicContact CG-CD1 4.26Å; M571-I810 HydrophobicContact CG-CG1 4Å; M571-I810 HydrophobicContact SD-CB 4.42Å; M571-I810 HydrophobicContact SD-CG1 3.89Å; M571-I810 HydrophobicContact SD-CG2 4.28Å; D575-I810 HydrophobicContact CB-CD1 3.51Å; I576-I810 HydrophobicContact CG1-CG2 4.4Å; E579-I810 HydrophobicContact CB-CG2 4.06Å; E579-I810 HydrophobicContact CG-CB 4.29Å; E579-I810 HydrophobicContact CG-CG2 3.96Å; S806-I810 PolarHBondContact O-N 2.98Å; P807-I810 PolarHBondContact O-N 3.49Å; I810-Y813 WeakPolarHBondContact O-CB 3.49Å; I810-Y813 PolarHBondContact O-N 2.94Å; I810-I814 HydrophobicContact CG2-CD1 3.86Å; I810-I814 WeakPolarHBondContact O-CG1 3.34Å; I810-I814 PolarHBondContact O-N 3.5Å
811R87.9Confident78.2Confident32 Ų3270.1 Ų70.112%0.12137%0.367CS..Hα-helixtrans-60-47.8174.5-174.4178179.2168.26.6112.1R461 E579 E586 P807 S808 N809 Y813 I814 Q815R461-R811 VanDerWaalsContact CD-NH1 3.32Å; E579-R811 WeakPolarHBondContact OE2-CB 3.35Å; E586-R811 IonicContact OE1-CZ 3.47Å; E586-R811 IonicContact OE1-NH1 2.98Å; E586-R811 IonicContact OE1-NH2 2.75Å; E586-R811 PolarHBondContact OE1-NH2 3.43Å; E586-R811 IonicContact OE2-CZ 2.64Å; E586-R811 IonicContact OE2-NH2 2.74Å; E586-R811 PolarHBondContact OE2-NH2 3.09Å; P807-R811 WeakPolarHBondContact O-CB 3.09Å; P807-R811 PolarHBondContact O-N 2.89Å; S808-R811 PolarHBondContact O-N 3.49Å; N809-R811 VanDerWaalsContact C-N 3.31Å; N809-R811 PolarHBondContact O-N 3.17Å; R811-Y813 VanDerWaalsContact C-N 3.27Å; R811-Y813 PolarHBondContact O-N 2.86Å; R811-I814 PolarHBondContact O-N 2.91Å; R811-Q815 HydrophobicContact CG-CG 4.33Å; R811-Q815 VanDerWaalsContact NE-NE2 3.19Å; R811-Q815 WeakPolarHBondContact O-CB 3.23Å; R811-Q815 WeakPolarHBondContact O-CG 3.26Å; R811-Q815 PolarHBondContact O-N 3.4Å
812Q88.9Confident80.6Confident120 Ų12066 Ų6656%0.56133%0.329SS*.Hα-helixtrans-62-37.1178.9-171.9177.92.200111.7S808 N809 N816S808-Q812 PolarHBondContact O-N 3.33Å; N809-Q812 PolarHBondContact O-N 3.04Å; Q812-N816 WeakPolarHBondContact O-CB 3.46Å; Q812-N816 PolarHBondContact O-N 3.34Å; Q812-N816 PolarHBondContact O-ND2 3.07Å
813Y91.4Very high83.4Confident37 Ų3761.3 Ų61.315%0.14531%0.31CS..Hα-helixtrans-61.7-49.9173175.1-98.6000111.7T564 I568 M571 W627 N809 I810 R811 Q815 N816 L817T564-Y813 HydrophobicContact CG2-CE2 4.46Å; T564-Y813 PolarHBondContact OG1-OH 3.35Å; I568-Y813 VanDerWaalsContact CD1-OH 3.32Å; I568-Y813 WeakPolarHBondContact CD1-OH 3.17Å; I568-Y813 HydrophobicContact CG1-CE1 4.34Å; I568-Y813 VanDerWaalsContact CG1-OH 3.25Å; I568-Y813 WeakPolarHBondContact CG1-OH 2.97Å; M571-Y813 HydrophobicContact CE-CD1 4.48Å; M571-Y813 HydrophobicContact CE-CG 4.19Å; M571-Y813 HydrophobicContact SD-CD1 4.33Å; W627-Y813 HydrophobicContact CZ2-CE1 4.12Å; W627-Y813 AromaticContact NE1-CZ 3.97Å; W627-Y813 PolarHBondContact NE1-OH 2.88Å; N809-Y813 PolarHBondContact O-N 2.98Å; I810-Y813 WeakPolarHBondContact O-CB 3.49Å; I810-Y813 PolarHBondContact O-N 2.94Å; R811-Y813 VanDerWaalsContact C-N 3.27Å; R811-Y813 PolarHBondContact O-N 2.86Å; Y813-Q815 VanDerWaalsContact C-N 3.35Å; Y813-Q815 PolarHBondContact O-N 3.33Å; Y813-N816 CarbonylContact O-C 3.42Å; Y813-N816 PolarHBondContact O-N 2.96Å; Y813-L817 HydrophobicContact CD1-CD2 4.06Å; Y813-L817 HydrophobicContact CE1-CD2 3.57Å; Y813-L817 HydrophobicContact CE2-CD2 4.36Å; Y813-L817 PolarHBondContact O-N 3.47Å
814I91.9Very high85.6Confident3 Ų364.9 Ų64.92%0.01531%0.31CS..Hα-helixtrans-63.5-38.2-179.7-71.9163.5000112.4I576 E579 L580 Y583 I810 R811 N816 L817I576-I814 HydrophobicContact CG2-CD1 4.48Å; E579-I814 HydrophobicContact CB-CD1 3.41Å; E579-I814 VanDerWaalsContact CB-CD1 3.41Å; L580-I814 HydrophobicContact CD2-CD1 4.47Å; L580-I814 HydrophobicContact CD2-CG1 4.38Å; L580-I814 HydrophobicContact CD2-CG2 3.67Å; L580-I814 HydrophobicContact CG-CD1 4.02Å; L580-I814 HydrophobicContact CG-CG1 4.4Å; L580-I814 HydrophobicContact CG-CG2 4.33Å; Y583-I814 HydrophobicContact CD1-CG2 4.34Å; I810-I814 HydrophobicContact CG2-CD1 3.86Å; I810-I814 WeakPolarHBondContact O-CG1 3.34Å; I810-I814 PolarHBondContact O-N 3.5Å; R811-I814 PolarHBondContact O-N 2.91Å; I814-N816 VanDerWaalsContact C-N 3.25Å; I814-N816 PolarHBondContact O-N 3.17Å; I814-L817 WeakPolarHBondContact O-CG 3.23Å
815Q89.1Confident87.7Confident71 Ų7164 Ų6433%0.33230%0.303SS..Hα-helixtrans-70.7-21.3179.7-72.2-179-23.900113.3Y583 R811 Y813Y583-Q815 HydrophobicContact CD2-CG 3.94Å; Y583-Q815 HydrophobicContact CE1-CG 4.46Å; Y583-Q815 HydrophobicContact CE2-CG 3.68Å; Y583-Q815 HydrophobicContact CG-CG 4.41Å; R811-Q815 HydrophobicContact CG-CG 4.33Å; R811-Q815 VanDerWaalsContact NE-NE2 3.19Å; R811-Q815 WeakPolarHBondContact O-CB 3.23Å; R811-Q815 WeakPolarHBondContact O-CG 3.26Å; R811-Q815 PolarHBondContact O-N 3.4Å; Y813-Q815 VanDerWaalsContact C-N 3.35Å; Y813-Q815 PolarHBondContact O-N 3.33Å
816N90.9Very high89.6Confident106 Ų10653.9 Ų53.957%0.56727%0.265SS*.THydrogen-bonded Turntrans-120.628.2-173.6-62.1-63.3000113Q812 Y813 I814 K818Q812-N816 WeakPolarHBondContact O-CB 3.46Å; Q812-N816 PolarHBondContact O-N 3.34Å; Q812-N816 PolarHBondContact O-ND2 3.07Å; Y813-N816 CarbonylContact O-C 3.42Å; Y813-N816 PolarHBondContact O-N 2.96Å; I814-N816 VanDerWaalsContact C-N 3.25Å; I814-N816 PolarHBondContact O-N 3.17Å; N816-K818 PolarHBondContact O-N 2.99Å
817L93.4Very high90.6Very high24 Ų2453.3 Ų53.313%0.12626%0.26CS..  trans-57.1123.9177-68.8175.3000111V623 W627 Y813 I814V623-L817 HydrophobicContact CG1-CB 3.67Å; V623-L817 HydrophobicContact CG1-CD1 4.1Å; W627-L817 HydrophobicContact CB-CD1 4.23Å; W627-L817 HydrophobicContact CD2-CD1 4.12Å; W627-L817 HydrophobicContact CD2-CD2 4.32Å; W627-L817 HydrophobicContact CE3-CD1 4.46Å; W627-L817 HydrophobicContact CG-CD1 4.02Å; W627-L817 HydrophobicContact CG-CD2 4.09Å; Y813-L817 HydrophobicContact CD1-CD2 4.06Å; Y813-L817 HydrophobicContact CE1-CD2 3.57Å; Y813-L817 HydrophobicContact CE2-CD2 4.36Å; Y813-L817 PolarHBondContact O-N 3.47Å; I814-L817 WeakPolarHBondContact O-CG 3.23Å
818K92.9Very high91.6Very high164 Ų16456 Ų5671%0.71327%0.267SS*.  trans-100.7131.5171.4-64.5-172.8179.1-176.30108.9P560 N816P560-K818 HydrophobicContact CG-CB 4.39Å; N816-K818 PolarHBondContact O-N 2.99Å
819V96.1Very high92.3Very high4 Ų454.1 Ų54.12%0.02425%0.25CC..  trans-136.8154.3-171.1-560000111.8L534 N535 V623 H626 W627L534-V819 HydrophobicContact CD1-CG2 3.95Å; N535-V819 PolarHBondContact ND2-O 3.11Å; V623-V819 HydrophobicContact CG1-CG1 4.13Å; H626-V819 HydrophobicContact CB-CB 3.92Å; H626-V819 HydrophobicContact CB-CG1 4.47Å; H626-V819 HydrophobicContact CB-CG2 3.94Å; W627-V819 HydrophobicContact CB-CG1 3.77Å
820I96.3Very high92.9Very high0 Ų051.9 Ų51.90%024%0.238CC..  trans-93.4117.9167.8-55.6172000107.2P560 H626 T630 L634 N822 K825 L826 L829P560-I820 HydrophobicContact CG-CG1 4.33Å; H626-I820 PolarHBondContact CD2-O 2.77Å; T630-I820 HydrophobicContact CG2-CB 4.36Å; T630-I820 HydrophobicContact CG2-CD1 4.05Å; T630-I820 HydrophobicContact CG2-CG1 3.86Å; T630-I820 PolarHBondContact OG1-N 3.07Å; L634-I820 HydrophobicContact CD1-CD1 4.19Å; L634-I820 HydrophobicContact CD2-CD1 4.26Å; L634-I820 HydrophobicContact CG-CD1 4.33Å; I820-N822 HydrophobicContact CG2-CB 4.37Å; I820-K825 HydrophobicContact CD1-CD 4.47Å; I820-K825 HydrophobicContact CG2-CB 4.28Å; I820-K825 HydrophobicContact CG2-CD 3.99Å; I820-K825 HydrophobicContact CG2-CG 4.28Å; I820-L826 HydrophobicContact CB-CD2 3.82Å; I820-L826 HydrophobicContact CB-CG 4.24Å; I820-L826 HydrophobicContact CD1-CD2 4.26Å; I820-L826 HydrophobicContact CG2-CD2 3.89Å; I820-L826 HydrophobicContact CG2-CG 3.85Å; I820-L826 WeakPolarHBondContact O-CD1 3.44Å; I820-L829 HydrophobicContact CD1-CD1 3.87Å
821D94.8Very high93.2Very high30 Ų3058.5 Ų58.516%0.1626%0.263CS..  trans-100.9-8.7175.565.5-19.6000112.9S514 L534 N535 Q823S514-D821 WeakPolarHBondContact CB-OD1 3.45Å; S514-D821 PolarHBondContact OG-OD1 3.36Å; L534-D821 HydrophobicContact CB-CB 4.03Å; L534-D821 HydrophobicContact CD1-CB 3.98Å; L534-D821 HydrophobicContact CG-CB 4.49Å; N535-D821 WeakPolarHBondContact CB-OD1 3.46Å; N535-D821 PolarHBondContact N-OD2 2.69Å; N535-D821 VanDerWaalsContact ND2-CG 3.31Å; N535-D821 PolarHBondContact ND2-OD1 3.07Å; D821-Q823 PolarHBondContact O-N 3.35Å; D821-Q823 VanDerWaalsContact O-N 3.13Å
822N94.1Very high93.4Very high20 Ų2062.6 Ų62.611%0.10729%0.291CS..  trans-75.5100.4175.1-173.4-30.1000110.8S514 I820 R824 K825 L826S514-N822 PolarHBondContact O-ND2 2.98Å; I820-N822 HydrophobicContact CG2-CB 4.37Å; N822-R824 PolarHBondContact O-N 3.33Å; N822-R824 WeakPolarHBondContact OD1-CB 3.47Å; N822-R824 PolarHBondContact OD1-N 3.32Å; N822-K825 HydrophobicContact CB-CB 4.03Å; N822-K825 PolarHBondContact O-N 3.23Å; N822-K825 VanDerWaalsContact O-N 3.12Å; N822-K825 PolarHBondContact OD1-N 3Å; N822-L826 PolarHBondContact O-N 3.44Å
823Q93.9Very high93.5Very high64 Ų6458.9 Ų58.930%0.29928%0.275SS..Hα-helixtrans-58.7-32.5-179.6-173.46238.700113.1N673 S674 S675 D821 L826 T827N673-Q823 PolarHBondContact ND2-OE1 3.1Å; N673-Q823 PolarHBondContact OD1-NE2 3.46Å; S674-Q823 PolarHBondContact OG-NE2 3.42Å; S675-Q823 PolarHBondContact OG-NE2 2.97Å; D821-Q823 PolarHBondContact O-N 3.35Å; D821-Q823 VanDerWaalsContact O-N 3.13Å; Q823-L826 PolarHBondContact O-N 3.04Å; Q823-T827 WeakPolarHBondContact O-CB 3.37Å; Q823-T827 PolarHBondContact O-N 3.28Å; Q823-T827 PolarHBondContact O-OG1 3.05Å
824R92.4Very high93.2Very high178 Ų17857.7 Ų57.767%0.67227%0.271SS*.Hα-helixtrans-65.5-45.2177-64-177.6-178.3171.53.6110.7N822 T827 Q828N822-R824 PolarHBondContact O-N 3.33Å; N822-R824 WeakPolarHBondContact OD1-CB 3.47Å; N822-R824 PolarHBondContact OD1-N 3.32Å; R824-T827 PolarHBondContact O-N 3.27Å; R824-Q828 WeakPolarHBondContact O-CG 3.07Å; R824-Q828 PolarHBondContact O-N 2.91Å
825K93.4Very high91.9Very high41 Ų4165.9 Ų65.918%0.17833%0.327CS..Hα-helixtrans-61.2-46.9175.9-176.7175.5174.5-176.50111.3Q558 I820 N822 T827 Q828 L829Q558-K825 PolarHBondContact O-NZ 3.38Å; I820-K825 HydrophobicContact CD1-CD 4.47Å; I820-K825 HydrophobicContact CG2-CB 4.28Å; I820-K825 HydrophobicContact CG2-CD 3.99Å; I820-K825 HydrophobicContact CG2-CG 4.28Å; N822-K825 HydrophobicContact CB-CB 4.03Å; N822-K825 PolarHBondContact O-N 3.23Å; N822-K825 VanDerWaalsContact O-N 3.12Å; N822-K825 PolarHBondContact OD1-N 3Å; K825-T827 VanDerWaalsContact C-N 3.3Å; K825-T827 PolarHBondContact O-N 3.08Å; K825-Q828 WeakPolarHBondContact O-CB 3.42Å; K825-Q828 PolarHBondContact O-N 2.83Å; K825-L829 HydrophobicContact CG-CD1 4.33Å; K825-L829 WeakPolarHBondContact O-CG 3.14Å; K825-L829 PolarHBondContact O-N 2.93Å
826L95.6Very high92.1Very high0 Ų065.7 Ų65.70%033%0.326CS..Hα-helixtrans-58.8-42176.2-69.8171.9000112.4V629 C633 I820 N822 Q823 Q828 L829 S830V629-L826 HydrophobicContact CB-CD1 4.29Å; V629-L826 HydrophobicContact CG1-CB 4.36Å; V629-L826 HydrophobicContact CG1-CD1 3.7Å; V629-L826 HydrophobicContact CG1-CD2 4Å; V629-L826 HydrophobicContact CG1-CG 4.23Å; C633-L826 HydrophobicContact CB-CD2 4.21Å; I820-L826 HydrophobicContact CB-CD2 3.82Å; I820-L826 HydrophobicContact CB-CG 4.24Å; I820-L826 HydrophobicContact CD1-CD2 4.26Å; I820-L826 HydrophobicContact CG2-CD2 3.89Å; I820-L826 HydrophobicContact CG2-CG 3.85Å; I820-L826 WeakPolarHBondContact O-CD1 3.44Å; N822-L826 PolarHBondContact O-N 3.44Å; Q823-L826 PolarHBondContact O-N 3.04Å; L826-Q828 VanDerWaalsContact C-N 3.34Å; L826-L829 PolarHBondContact O-N 3.14Å; L826-S830 WeakPolarHBondContact O-CB 3.15Å; L826-S830 PolarHBondContact O-N 3.21Å
827T94.9Very high92.1Very high26 Ų2663.5 Ų63.516%0.1631%0.314CS..Hα-helixtrans-66.3-38178.8-55.50000111.5S675 Q823 R824 K825 R831S675-T827 WeakPolarHBondContact OG-CA 3.48Å; S675-T827 PolarHBondContact OG-N 3.21Å; S675-T827 PolarHBondContact OG-OG1 3.46Å; Q823-T827 WeakPolarHBondContact O-CB 3.37Å; Q823-T827 PolarHBondContact O-N 3.28Å; Q823-T827 PolarHBondContact O-OG1 3.05Å; R824-T827 PolarHBondContact O-N 3.27Å; K825-T827 VanDerWaalsContact C-N 3.3Å; K825-T827 PolarHBondContact O-N 3.08Å; T827-R831 WeakPolarHBondContact O-CG 3.44Å; T827-R831 PolarHBondContact O-N 3.43Å; T827-R831 VanDerWaalsContact O-N 3.12Å
828Q94.4Very high92.1Very high124 Ų12465.7 Ų65.758%0.57932%0.324SS*.Hα-helixtrans-64.9-50.6175-74.2171.1-1000111.2R824 K825 L826 S830 R831 T832R824-Q828 WeakPolarHBondContact O-CG 3.07Å; R824-Q828 PolarHBondContact O-N 2.91Å; K825-Q828 WeakPolarHBondContact O-CB 3.42Å; K825-Q828 PolarHBondContact O-N 2.83Å; L826-Q828 VanDerWaalsContact C-N 3.34Å; Q828-S830 VanDerWaalsContact C-N 3.29Å; Q828-S830 PolarHBondContact O-N 2.82Å; Q828-R831 PolarHBondContact O-N 3.18Å; Q828-R831 VanDerWaalsContact O-N 3.14Å; Q828-T832 PolarHBondContact O-N 3.29Å; Q828-T832 PolarHBondContact O-OG1 2.86Å
829L95.2Very high92Very high45 Ų4559.9 Ų59.924%0.23630%0.301CS..Hα-helixtrans-54.4-47.3176.5-71.7171.1000111.5C633 L634 I820 K825 L826 R831 T832 I833C633-L829 HydrophobicContact CB-CB 4.1Å; C633-L829 HydrophobicContact CB-CD1 4.47Å; L634-L829 HydrophobicContact CD2-CD1 3.8Å; L634-L829 HydrophobicContact CD2-CD2 4.4Å; I820-L829 HydrophobicContact CD1-CD1 3.87Å; K825-L829 HydrophobicContact CG-CD1 4.33Å; K825-L829 WeakPolarHBondContact O-CG 3.14Å; K825-L829 PolarHBondContact O-N 2.93Å; L826-L829 PolarHBondContact O-N 3.14Å; L829-R831 PolarHBondContact O-N 3.47Å; L829-T832 WeakPolarHBondContact O-CB 3.4Å; L829-T832 PolarHBondContact O-N 3.25Å; L829-I833 WeakPolarHBondContact O-CG1 3.4Å; L829-I833 PolarHBondContact O-N 3.27Å; L829-I833 VanDerWaalsContact O-N 3.09Å
830S95.6Very high91.8Very high0 Ų063.4 Ų63.40%032%0.318CS..Hα-helixtrans-59-43.9177.7179.30000113.1S675 R678 L679 L826 Q828 T832 I833 E834S675-S830 VanDerWaalsContact O-CB 3.24Å; S675-S830 WeakPolarHBondContact O-CB 3.48Å; S675-S830 PolarHBondContact O-OG 3.44Å; R678-S830 WeakPolarHBondContact CD-OG 3.48Å; R678-S830 VanDerWaalsContact CG-OG 3.24Å; R678-S830 WeakPolarHBondContact CG-OG 3.49Å; L679-S830 WeakPolarHBondContact CD2-OG 3.3Å; L826-S830 WeakPolarHBondContact O-CB 3.15Å; L826-S830 PolarHBondContact O-N 3.21Å; Q828-S830 VanDerWaalsContact C-N 3.29Å; Q828-S830 PolarHBondContact O-N 2.82Å; S830-T832 VanDerWaalsContact C-N 3.34Å; S830-T832 PolarHBondContact O-N 3.03Å; S830-I833 PolarHBondContact O-N 3.46Å; S830-E834 PolarHBondContact O-N 2.74Å
831R93.4Very high91.5Very high140 Ų14067.7 Ų67.753%0.52834%0.34SS..Hα-helixtrans-64.9-35.9175.9-75.1174.8173.6169.2-0.4112.9T827 Q828 L829 I833 E834 C835T827-R831 WeakPolarHBondContact O-CG 3.44Å; T827-R831 PolarHBondContact O-N 3.43Å; T827-R831 VanDerWaalsContact O-N 3.12Å; Q828-R831 PolarHBondContact O-N 3.18Å; Q828-R831 VanDerWaalsContact O-N 3.14Å; L829-R831 PolarHBondContact O-N 3.47Å; R831-I833 VanDerWaalsContact C-N 3.28Å; R831-I833 PolarHBondContact O-N 3.29Å; R831-E834 CarbonylContact O-C 3.53Å; R831-C835 PolarHBondContact O-N 3.4Å; R831-C835 PolarHBondContact O-SG 2.97Å
832T92.5Very high91.2Very high117 Ų11770.4 Ų70.472%0.71835%0.353SS*.Hα-helixtrans-65.7-35176.7-54.90000111.4Q828 L829 S830Q828-T832 PolarHBondContact O-N 3.29Å; Q828-T832 PolarHBondContact O-OG1 2.86Å; L829-T832 WeakPolarHBondContact O-CB 3.4Å; L829-T832 PolarHBondContact O-N 3.25Å; S830-T832 VanDerWaalsContact C-N 3.34Å; S830-T832 PolarHBondContact O-N 3.03Å
833I91.4Very high91Very high42 Ų4274.2 Ų74.222%0.21537%0.371CS..Hα-helixtrans-77.8-46179.5-63.3171.6000111.6C633 R641 L829 S830 R831C633-I833 WeakPolarHBondContact O-CD1 3.39Å; R641-I833 VanDerWaalsContact NH1-CG2 3.27Å; R641-I833 VanDerWaalsContact NH2-CG2 3.34Å; L829-I833 WeakPolarHBondContact O-CG1 3.4Å; L829-I833 PolarHBondContact O-N 3.27Å; L829-I833 VanDerWaalsContact O-N 3.09Å; S830-I833 PolarHBondContact O-N 3.46Å; R831-I833 VanDerWaalsContact C-N 3.28Å; R831-I833 PolarHBondContact O-N 3.29Å
834E85.3Confident90.8Very high13 Ų1375.1 Ų75.16%0.06138%0.377CS..  trans-133.2104.4177.5-64.9-176.8-155.300109.8R641 L679 Y680 K681 T682 S830 R831R641-E834 IonicContact CZ-OE1 2.71Å; R641-E834 IonicContact NE-OE1 3.76Å; R641-E834 IonicContact NH2-OE1 3.61Å; R641-E834 PolarHBondContact NH2-OE1 3.45Å; L679-E834 VanDerWaalsContact CA-OE2 3.24Å; L679-E834 WeakPolarHBondContact CA-OE2 3.11Å; L679-E834 HydrophobicContact CD2-CB 3.96Å; L679-E834 HydrophobicContact CD2-CG 4Å; Y680-E834 PolarHBondContact N-OE2 3.21Å; K681-E834 WeakPolarHBondContact CB-OE2 3.19Å; K681-E834 HydrophobicContact CD-CG 4.48Å; K681-E834 PolarHBondContact N-OE2 3.25Å; T682-E834 PolarHBondContact N-OE1 3.39Å; T682-E834 PolarHBondContact OG1-OE1 3.03Å; S830-E834 PolarHBondContact O-N 2.74Å; R831-E834 CarbonylContact O-C 3.53Å
835C64.9Low90.6Very high175 Ų17565.7 Ų65.7100%1.18235%0.351SS*.  trans-75.80170.9-75.10000112.2R831R831-C835 PolarHBondContact O-N 3.4Å; R831-C835 PolarHBondContact O-SG 2.97Å

Retrieved 835 of 835 residues in 2003.1 ms (Link to these results)

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