A0A096MWR0_PAPAN Loading...

Rab-like protein 3

Required for KRAS signaling regulation and modulation of cell proliferation. Regulator of KRAS prenylation, and probably prenylation of other small GTPases. Required for lymphocyte development and function. Not required for myeloid cell development.

AlphaFold DB (A0A2K5UYZ6), UniProt , Accession A0A096MWR0, Species PAPAN (Papio anubis, Olive baboon), Gene RABL3, Length 236 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.2Very low79Confident244 Ų24467.5 Ų67.5100%1.20237%0.369SS*.  0117.50-80.5169151.100106.8S3M1-S3 PolarHBondContact O-N 3.16Å; M1-S3 VanDerWaalsContact O-N 3.16Å
2A42.9Very low80.3Confident98 Ų9861.8 Ų61.881%0.8134%0.338SS*.  trans-62.2117.4175.800000108.1L4A2-L4 PolarHBondContact O-N 3.06Å
3S55.1Low81.3Confident99 Ų9957.1 Ų57.169%0.69231%0.312SS*.  trans-67.5115.9171.354.20000107.4M1 D5M1-S3 PolarHBondContact O-N 3.16Å; M1-S3 VanDerWaalsContact O-N 3.16Å; S3-D5 PolarHBondContact O-N 3.38Å
4L72Confident82Confident97 Ų9754.2 Ų54.251%0.50830%0.296SS..  trans-66.5124169.3-65.1167.3000107.5A2 R6 Y61A2-L4 PolarHBondContact O-N 3.06Å; L4-R6 PolarHBondContact O-N 2.95Å; L4-Y61 HydrophobicContact CB-CD2 3.83Å; L4-Y61 HydrophobicContact CB-CE2 3.75Å; L4-Y61 HydrophobicContact CD1-CD2 4.39Å; L4-Y61 HydrophobicContact CD1-CE2 3.73Å; L4-Y61 HydrophobicContact CD2-CD2 4.41Å; L4-Y61 HydrophobicContact CD2-CE2 3.5Å; L4-Y61 VanDerWaalsContact CD2-CE2 3.5Å; L4-Y61 HydrophobicContact CG-CD2 4.41Å; L4-Y61 HydrophobicContact CG-CE2 3.82Å
5D88.9Confident82.6Confident36 Ų3656.1 Ų56.119%0.19332%0.315CS..  trans-73.4128.5179.2-78.1-44.8000110.3S3 K58 Y60 Y61 Y208S3-D5 PolarHBondContact O-N 3.38Å; D5-K58 VanDerWaalsContact OD2-CE 3.31Å; D5-K58 WeakPolarHBondContact OD2-CE 3.29Å; D5-K58 IonicContact OD2-NZ 3.87Å; D5-K58 PolarHBondContact OD2-NZ 3.22Å; D5-Y60 HydrophobicContact CB-CD1 3.39Å; D5-Y60 HydrophobicContact CB-CE1 3.36Å; D5-Y61 PolarHBondContact O-N 3Å; D5-Y61 VanDerWaalsContact O-N 3.08Å; D5-Y208 WeakPolarHBondContact CA-OH 3.44Å; D5-Y208 HydrophobicContact CB-CE1 4.3Å; D5-Y208 HydrophobicContact CB-CE2 4.31Å; D5-Y208 VanDerWaalsContact CB-OH 3.31Å; D5-Y208 WeakPolarHBondContact CB-OH 3.28Å; D5-Y208 VanDerWaalsContact OD1-CE1 3.29Å; D5-Y208 WeakPolarHBondContact OD1-CE1 3.31Å; D5-Y208 PolarHBondContact OD1-OH 3.16Å
6R92.3Very high83.2Confident141 Ų14156.1 Ų56.153%0.53233%0.331SS..EExtended strand (participates in β ladder)trans-125.9137.8-172.9-63.4-179.4-177.4-159.34110.2L4 Y61 E63 Y208L4-R6 PolarHBondContact O-N 2.95Å; R6-Y61 VanDerWaalsContact CA-O 3.3Å; R6-Y61 WeakPolarHBondContact CA-O 3.24Å; R6-E63 WeakPolarHBondContact CD-OE1 3.43Å; R6-E63 IonicContact NH1-OE1 3.18Å; R6-E63 PolarHBondContact NH1-OE1 3.18Å; R6-Y208 PolarHBondContact N-OH 2.89Å; R6-Y208 VanDerWaalsContact N-OH 3.07Å; R6-Y208 PolarHBondContact O-OH 3.39Å
7V95.1Very high83.9Confident1 Ų152.8 Ų52.81%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-121.5138.3170.3-64.80000110.1Y61 I62 E63 N89 V203 I204 R207 Y208V7-Y61 PolarHBondContact N-O 3.17Å; V7-I62 HydrophobicContact CG2-CB 4.1Å; V7-I62 HydrophobicContact CG2-CD1 4.3Å; V7-I62 HydrophobicContact CG2-CG1 3.67Å; V7-I62 HydrophobicContact CG2-CG2 4.1Å; V7-E63 PolarHBondContact O-N 3.05Å; V7-N89 WeakPolarHBondContact CA-OD1 3.3Å; V7-N89 HydrophobicContact CB-CB 4.36Å; V7-V203 HydrophobicContact CB-CG1 3.98Å; V7-V203 HydrophobicContact CG1-CG1 4.32Å; V7-V203 HydrophobicContact CG2-CG1 4.17Å; V7-I204 HydrophobicContact CG1-CG1 4.05Å; V7-I204 HydrophobicContact CG2-CG1 4.27Å; V7-R207 HydrophobicContact CG1-CB 4.32Å; V7-R207 HydrophobicContact CG1-CG 4.26Å; V7-Y208 HydrophobicContact CG1-CD2 4.35Å; V7-Y208 HydrophobicContact CG1-CE2 3.7Å
8K95.4Very high84.6Confident26 Ų2650.9 Ų50.911%0.11331%0.305CS..EExtended strand (participates in β ladder)trans-99120.6179175.1170.8178.4-1760110.4W65 F84 N86 N89 G90K8-W65 HydrophobicContact CD-CD2 4.48Å; K8-W65 HydrophobicContact CG-CG 4.34Å; K8-F84 WeakPolarHBondContact CE-O 3.48Å; K8-F84 PolarHBondContact NZ-O 3.35Å; K8-N86 PolarHBondContact NZ-O 3.38Å; K8-N89 PolarHBondContact N-OD1 3.5Å; K8-N89 WeakPolarHBondContact O-CA 3.48Å; K8-N89 WeakPolarHBondContact O-CB 3.36Å; K8-N89 PolarHBondContact O-N 2.63Å; K8-G90 PolarHBondContact O-N 3.14Å
9V97.1Very high85.2Confident0 Ų048.8 Ų48.80%029%0.291CS..EExtended strand (participates in β ladder)trans-118.9123.9175.8175.80000109.5I62 E63 L64 W65 G90 I92 F199 V203V9-I62 HydrophobicContact CB-CG2 4.31Å; V9-I62 HydrophobicContact CG2-CG2 3.85Å; V9-E63 PolarHBondContact N-O 3.1Å; V9-L64 HydrophobicContact CB-CD2 3.95Å; V9-L64 HydrophobicContact CG1-CD2 4.02Å; V9-W65 PolarHBondContact O-N 2.9Å; V9-G90 VanDerWaalsContact CA-O 3.29Å; V9-G90 WeakPolarHBondContact CA-O 3.16Å; V9-I92 HydrophobicContact CG1-CD1 3.9Å; V9-I92 HydrophobicContact CG1-CG1 3.74Å; V9-F199 HydrophobicContact CG1-CE1 4.08Å; V9-F199 HydrophobicContact CG1-CZ 4.16Å; V9-V203 HydrophobicContact CG2-CG1 4.12Å
10L96.1Very high85.8Confident0 Ų047.8 Ų47.80%029%0.287CS..EExtended strand (participates in β ladder)trans-81.3144174.1-65.4-178.8000111L12 W65 V67 Y85 V88 G90 I91 I92L10-L12 HydrophobicContact CB-CD1 4.37Å; L10-L12 HydrophobicContact CB-CD2 4.26Å; L10-L12 HydrophobicContact CB-CG 4.03Å; L10-L12 HydrophobicContact CD1-CD1 4.16Å; L10-L12 HydrophobicContact CD1-CD2 4.48Å; L10-W65 HydrophobicContact CD2-CB 3.85Å; L10-W65 HydrophobicContact CD2-CG 4.46Å; L10-V67 HydrophobicContact CD2-CG2 4.24Å; L10-Y85 HydrophobicContact CD1-CD1 3.43Å; L10-Y85 VanDerWaalsContact CD1-CD1 3.43Å; L10-Y85 HydrophobicContact CD1-CE1 4.03Å; L10-Y85 HydrophobicContact CD1-CG 4.24Å; L10-Y85 HydrophobicContact CD2-CD1 4.4Å; L10-V88 HydrophobicContact CD1-CB 4.39Å; L10-V88 HydrophobicContact CD1-CG1 4.03Å; L10-V88 HydrophobicContact CD1-CG2 3.47Å; L10-V88 VanDerWaalsContact CD1-CG2 3.47Å; L10-V88 HydrophobicContact CD2-CG2 4.12Å; L10-V88 HydrophobicContact CG-CB 4.41Å; L10-V88 HydrophobicContact CG-CG1 3.85Å; L10-V88 HydrophobicContact CG-CG2 3.6Å; L10-G90 PolarHBondContact N-O 3.34Å; L10-I91 HydrophobicContact CB-CG1 4.37Å; L10-I91 HydrophobicContact CB-CG2 4.43Å; L10-I92 PolarHBondContact O-N 3.48Å
11V96.9Very high86.3Confident0 Ų046.5 Ų46.50%028%0.28CS..EExtended strand (participates in β ladder)trans-117.5107.9170.9-1730000108.1K19 V23 L64 W65 V67 I92 V94V11-K19 HydrophobicContact CG1-CB 4.13Å; V11-K19 HydrophobicContact CG1-CD 4.33Å; V11-K19 HydrophobicContact CG1-CG 4.23Å; V11-V23 HydrophobicContact CB-CG2 4.21Å; V11-V23 HydrophobicContact CG1-CG2 4.14Å; V11-V23 HydrophobicContact CG2-CG2 3.81Å; V11-L64 HydrophobicContact CG2-CB 4.34Å; V11-W65 PolarHBondContact N-O 3.19Å; V11-V67 PolarHBondContact O-N 3.36Å; V11-I92 WeakPolarHBondContact CA-O 3.33Å; V11-I92 HydrophobicContact CG2-CB 4.45Å; V11-V94 HydrophobicContact CG1-CG2 3.56Å
12L94.2Very high89.2Confident0 Ų034.9 Ų34.90%022%0.223CC..EExtended strand (participates in β ladder)trans-122.1145.6-169.5-57.4-179.1000111.6L10 V67 Y85 I91 I92 F93 V94 W109 A113L10-L12 HydrophobicContact CB-CD1 4.37Å; L10-L12 HydrophobicContact CB-CD2 4.26Å; L10-L12 HydrophobicContact CB-CG 4.03Å; L10-L12 HydrophobicContact CD1-CD1 4.16Å; L10-L12 HydrophobicContact CD1-CD2 4.48Å; L12-V67 HydrophobicContact CD2-CB 3.88Å; L12-V67 HydrophobicContact CD2-CG2 4Å; L12-Y85 HydrophobicContact CD1-CE1 4.44Å; L12-Y85 HydrophobicContact CD2-CE1 3.84Å; L12-I91 HydrophobicContact CD1-CG2 3.98Å; L12-I91 HydrophobicContact CG-CG2 4.33Å; L12-I92 PolarHBondContact N-O 3.17Å; L12-F93 HydrophobicContact CB-CD1 4.11Å; L12-F93 HydrophobicContact CB-CE1 4.23Å; L12-F93 HydrophobicContact CD1-CE1 4.09Å; L12-F93 CarbonylContact O-C 3.53Å; L12-F93 WeakPolarHBondContact O-CA 3.44Å; L12-V94 PolarHBondContact O-N 3.05Å; L12-W109 HydrophobicContact CB-CB 4.42Å; L12-W109 HydrophobicContact CB-CD2 4.31Å; L12-W109 HydrophobicContact CB-CE3 4.07Å; L12-W109 HydrophobicContact CB-CG 4.5Å; L12-W109 HydrophobicContact CD1-CE3 4.48Å; L12-W109 HydrophobicContact CD2-CE3 4.25Å; L12-W109 HydrophobicContact CD2-CZ3 4.26Å; L12-W109 HydrophobicContact CG-CE3 4.5Å; L12-A113 HydrophobicContact CD1-CB 3.55Å
13G93.2Very high91.8Very high0 Ų030.7 Ų30.70%019%0.187CC..  trans157.6166.7-176.100000111.2K19 V94 W109G13-K19 PolarHBondContact O-NZ 2.89Å; G13-V94 WeakPolarHBondContact CA-O 3.49Å; G13-W109 VanDerWaalsContact C-NE1 3.26Å; G13-W109 WeakPolarHBondContact O-CZ2 3.36Å
14D92Very high93.8Very high17 Ų1728.2 Ų28.29%0.09117%0.165CC..  trans-62.2161.5-177.1-72.3-6.6000112.7V17 K19 N105 W109D14-V17 HydrophobicContact CB-CG1 3.76Å; D14-V17 WeakPolarHBondContact O-CG2 3.31Å; D14-K19 PolarHBondContact O-NZ 3Å; D14-N105 PolarHBondContact OD2-ND2 3.02Å; D14-W109 PolarHBondContact OD1-NE1 3.4Å
15S91.2Very high95Very high82 Ų8223.7 Ų23.757%0.57314%0.141SC*.THydrogen-bonded Turntrans-62141.1171.2-169.80000110.6V17S15-V17 VanDerWaalsContact C-N 3.3Å; S15-V17 PolarHBondContact O-N 3.08Å
16G91.9Very high95.3Very high56 Ų5622.3 Ų22.358%0.57713%0.134SC*.THydrogen-bonded Turntrans790.2177.200000116.4G18 K148G16-G18 PolarHBondContact O-N 2.81Å; G16-K148 PolarHBondContact O-NZ 2.67Å; G16-K148 VanDerWaalsContact O-NZ 3.08Å
17V95.3Very high95.5Very high1 Ų116.9 Ų16.91%0.00612%0.117CC..SBendtrans-77.90.1176.9-53.80000113.9D14 S15 K19 V94 D96 T147D14-V17 HydrophobicContact CB-CG1 3.76Å; D14-V17 WeakPolarHBondContact O-CG2 3.31Å; S15-V17 VanDerWaalsContact C-N 3.3Å; S15-V17 PolarHBondContact O-N 3.08Å; V17-K19 HydrophobicContact CG2-CG 3.79Å; V17-V94 HydrophobicContact CG2-CB 4.12Å; V17-V94 HydrophobicContact CG2-CG1 3.9Å; V17-D96 HydrophobicContact CB-CB 4.06Å; V17-D96 HydrophobicContact CG1-CB 3.98Å; V17-T147 WeakPolarHBondContact O-CB 3.3Å; V17-T147 WeakPolarHBondContact O-CG2 3.28Å; V17-T147 PolarHBondContact O-OG1 2.99Å
18G95.8Very high95.4Very high18 Ų1821.1 Ų21.119%0.18614%0.136CC..SBendtrans92.917.2176.500000116.4G16 S20 S21 L22G16-G18 PolarHBondContact O-N 2.81Å; G18-S20 PolarHBondContact O-N 3.13Å; G18-S21 PolarHBondContact O-N 2.72Å; G18-L22 WeakPolarHBondContact O-CB 3.48Å; G18-L22 PolarHBondContact O-N 2.87Å
19K96.9Very high95.3Very high11 Ų1124.7 Ų24.75%0.04816%0.157CC..Hα-helixtrans-52.8-52.4178-62.3-169.8-60.1-750113.4V11 G13 D14 V17 S21 L22 V23 D66 V67 V94V11-K19 HydrophobicContact CG1-CB 4.13Å; V11-K19 HydrophobicContact CG1-CD 4.33Å; V11-K19 HydrophobicContact CG1-CG 4.23Å; G13-K19 PolarHBondContact O-NZ 2.89Å; D14-K19 PolarHBondContact O-NZ 3Å; V17-K19 HydrophobicContact CG2-CG 3.79Å; K19-S21 PolarHBondContact O-N 2.88Å; K19-L22 WeakPolarHBondContact O-CB 3.14Å; K19-L22 PolarHBondContact O-N 3.17Å; K19-V23 WeakPolarHBondContact O-CG2 3.49Å; K19-V23 PolarHBondContact O-N 3.38Å; K19-D66 VanDerWaalsContact CB-OD1 3.28Å; K19-D66 WeakPolarHBondContact CB-OD1 3.41Å; K19-D66 WeakPolarHBondContact CE-OD1 3.32Å; K19-V67 VanDerWaalsContact CE-O 3.24Å; K19-V67 WeakPolarHBondContact CE-O 3.23Å; K19-V94 HydrophobicContact CG-CB 3.96Å; K19-V94 HydrophobicContact CG-CG1 4.3Å; K19-V94 HydrophobicContact CG-CG2 4.12Å
20S95.9Very high95.1Very high29 Ų2930.7 Ų30.720%0.20319%0.185CC..Hα-helixtrans-65.6-38.8-177.7-39.50000112.1G18 L22 V23 H24 T38 D66G18-S20 PolarHBondContact O-N 3.13Å; S20-L22 VanDerWaalsContact C-N 3.35Å; S20-V23 PolarHBondContact O-N 3.5Å; S20-H24 VanDerWaalsContact O-CB 3.31Å; S20-H24 WeakPolarHBondContact O-CB 3.41Å; S20-H24 PolarHBondContact O-N 3.01Å; S20-T38 PolarHBondContact OG-OG1 3.45Å; S20-D66 WeakPolarHBondContact CB-OD2 3.4Å; S20-D66 PolarHBondContact OG-OD2 2.83Å
21S97Very high95Very high21 Ų2133.5 Ų33.515%0.14720%0.202CC..Hα-helixtrans-63.7-40.4173.4-56.80000112G18 K19 L25G18-S21 PolarHBondContact O-N 2.72Å; K19-S21 PolarHBondContact O-N 2.88Å; S21-L25 WeakPolarHBondContact O-CB 3.42Å; S21-L25 PolarHBondContact O-N 3.31Å
22L97.9Very high94.8Very high0 Ų035.7 Ų35.70%021%0.213CC..Hα-helixtrans-64.2-50.2175172.267.9000111.5G18 K19 S20 H24 L25 L26 I92 V94 I145 L178G18-L22 WeakPolarHBondContact O-CB 3.48Å; G18-L22 PolarHBondContact O-N 2.87Å; K19-L22 WeakPolarHBondContact O-CB 3.14Å; K19-L22 PolarHBondContact O-N 3.17Å; S20-L22 VanDerWaalsContact C-N 3.35Å; L22-H24 VanDerWaalsContact C-N 3.32Å; L22-H24 PolarHBondContact O-N 2.92Å; L22-L25 PolarHBondContact O-N 2.66Å; L22-L26 HydrophobicContact CD1-CD1 3.92Å; L22-L26 HydrophobicContact CD1-CG 4.04Å; L22-L26 HydrophobicContact CG-CD1 3.82Å; L22-L26 HydrophobicContact CG-CG 4.34Å; L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 VanDerWaalsContact O-CG 3.23Å; L22-L26 WeakPolarHBondContact O-CG 3.38Å; L22-L26 PolarHBondContact O-N 3.07Å; L22-I92 HydrophobicContact CD2-CG2 4.47Å; L22-V94 HydrophobicContact CD2-CG1 4.22Å; L22-V94 HydrophobicContact CD2-CG2 3.63Å; L22-I145 HydrophobicContact CD1-CD1 4.11Å; L22-I145 HydrophobicContact CD1-CG2 4.24Å; L22-I145 HydrophobicContact CD2-CB 4.23Å; L22-I145 HydrophobicContact CD2-CD1 3.9Å; L22-I145 HydrophobicContact CD2-CG2 4.01Å; L22-L178 HydrophobicContact CD1-CD1 4.4Å; L22-L178 HydrophobicContact CD1-CD2 4.19Å
23V97.7Very high94.3Very high9 Ų938.5 Ų38.56%0.05524%0.242CC..Hα-helixtrans-58.7-46.4178.9171.20000110.7V11 K19 S20 L25 L26 C27 D44 L64 D66V11-V23 HydrophobicContact CB-CG2 4.21Å; V11-V23 HydrophobicContact CG1-CG2 4.14Å; V11-V23 HydrophobicContact CG2-CG2 3.81Å; K19-V23 WeakPolarHBondContact O-CG2 3.49Å; K19-V23 PolarHBondContact O-N 3.38Å; S20-V23 PolarHBondContact O-N 3.5Å; V23-L25 VanDerWaalsContact C-N 3.32Å; V23-L25 PolarHBondContact O-N 2.98Å; V23-L26 PolarHBondContact O-N 3.32Å; V23-L26 VanDerWaalsContact O-N 3.16Å; V23-C27 PolarHBondContact O-N 2.81Å; V23-C27 PolarHBondContact O-SG 3.48Å; V23-D44 HydrophobicContact CG1-CB 3.63Å; V23-L64 HydrophobicContact CG1-CB 3.94Å; V23-L64 HydrophobicContact CG1-CD1 4.19Å; V23-L64 HydrophobicContact CG2-CB 4.25Å; V23-L64 HydrophobicContact CG2-CD1 4.47Å; V23-D66 HydrophobicContact CG2-CB 4.23Å
24H96.6Very high93.9Very high48 Ų4846 Ų4622%0.22228%0.282CS..Hα-helixtrans-59.8-43.4177.2-169.576000111.9S20 L22 L26 C27 Q28 Q30 L32S20-H24 VanDerWaalsContact O-CB 3.31Å; S20-H24 WeakPolarHBondContact O-CB 3.41Å; S20-H24 PolarHBondContact O-N 3.01Å; L22-H24 VanDerWaalsContact C-N 3.32Å; L22-H24 PolarHBondContact O-N 2.92Å; H24-L26 VanDerWaalsContact C-N 3.35Å; H24-L26 PolarHBondContact O-N 3.48Å; H24-C27 PolarHBondContact O-N 3.22Å; H24-Q28 VanDerWaalsContact O-CB 3.32Å; H24-Q28 WeakPolarHBondContact O-CB 3.5Å; H24-Q28 PolarHBondContact O-N 3.17Å; H24-Q30 PolarHBondContact CD2-O 3.38Å; H24-L32 HydrophobicContact CB-CB 3.98Å; H24-L32 HydrophobicContact CB-CD2 4.24Å; H24-L32 HydrophobicContact CB-CG 4.5Å
25L96.9Very high93.5Very high2 Ų248.5 Ų48.51%0.0130%0.3CS..Hα-helixtrans-63.6-40.6176.1-178.164.2000112S21 L22 V23 N29 Q30 P183 L186S21-L25 WeakPolarHBondContact O-CB 3.42Å; S21-L25 PolarHBondContact O-N 3.31Å; L22-L25 PolarHBondContact O-N 2.66Å; V23-L25 VanDerWaalsContact C-N 3.32Å; V23-L25 PolarHBondContact O-N 2.98Å; L25-N29 VanDerWaalsContact O-CA 3.25Å; L25-N29 WeakPolarHBondContact O-CA 3.28Å; L25-N29 PolarHBondContact O-N 2.93Å; L25-Q30 WeakPolarHBondContact CA-O 3.45Å; L25-P183 HydrophobicContact CD1-CB 4.08Å; L25-P183 HydrophobicContact CD1-CG 4.18Å; L25-L186 HydrophobicContact CD2-CD1 3.72Å; L25-L186 HydrophobicContact CD2-CG 4.44Å; L25-L186 HydrophobicContact CG-CD1 3.9Å
26L96.8Very high93.1Very high7 Ų749.4 Ų49.44%0.03731%0.306CS..Hα-helixtrans-66.7-34.5179.3-71170.1000113L22 V23 H24 R46 L64 L186 L196L22-L26 HydrophobicContact CD1-CD1 3.92Å; L22-L26 HydrophobicContact CD1-CG 4.04Å; L22-L26 HydrophobicContact CG-CD1 3.82Å; L22-L26 HydrophobicContact CG-CG 4.34Å; L22-L26 WeakPolarHBondContact O-CB 3.48Å; L22-L26 VanDerWaalsContact O-CG 3.23Å; L22-L26 WeakPolarHBondContact O-CG 3.38Å; L22-L26 PolarHBondContact O-N 3.07Å; V23-L26 PolarHBondContact O-N 3.32Å; V23-L26 VanDerWaalsContact O-N 3.16Å; H24-L26 VanDerWaalsContact C-N 3.35Å; H24-L26 PolarHBondContact O-N 3.48Å; L26-R46 WeakPolarHBondContact O-CD 3.31Å; L26-R46 PolarHBondContact O-NH1 3.32Å; L26-L64 HydrophobicContact CB-CD1 3.81Å; L26-L64 HydrophobicContact CD1-CD1 3.83Å; L26-L64 HydrophobicContact CG-CD1 4.49Å; L26-L186 HydrophobicContact CD2-CD1 3.67Å; L26-L186 HydrophobicContact CG-CD1 4.34Å; L26-L196 HydrophobicContact CD2-CD1 3.96Å; L26-L196 HydrophobicContact CD2-CD2 3.28Å; L26-L196 HydrophobicContact CD2-CG 4.25Å
27C95.8Very high92.6Very high26 Ų2657.6 Ų57.618%0.17632%0.319CS..Hα-helixtrans-92-41.2-177-65.60000113V23 H24 D44V23-C27 PolarHBondContact O-N 2.81Å; V23-C27 PolarHBondContact O-SG 3.48Å; H24-C27 PolarHBondContact O-N 3.22Å; C27-D44 HydrophobicContact CB-CB 4.32Å; C27-D44 VanDerWaalsContact CB-OD2 3.23Å; C27-D44 WeakPolarHBondContact CB-OD2 3.34Å
28Q93.8Very high91.9Very high90 Ų9059.6 Ų59.642%0.42133%0.332SS..Hα-helixtrans-103.3-9.5-171.1-52.6-58.6-30.700113.3H24 Q30 D44H24-Q28 VanDerWaalsContact O-CB 3.32Å; H24-Q28 WeakPolarHBondContact O-CB 3.5Å; H24-Q28 PolarHBondContact O-N 3.17Å; Q28-Q30 HydrophobicContact CB-CB 4.28Å; Q28-Q30 WeakPolarHBondContact O-CG 3.47Å; Q28-Q30 PolarHBondContact O-N 3.14Å; Q28-Q30 VanDerWaalsContact O-N 3.16Å; Q28-D44 PolarHBondContact NE2-OD2 2.88Å
29N91.9Very high91.2Very high102 Ų10265.3 Ų65.355%0.54536%0.363SS..SBendtrans52.832.2-171.8-163.333.5000112.7L25L25-N29 VanDerWaalsContact O-CA 3.25Å; L25-N29 WeakPolarHBondContact O-CA 3.28Å; L25-N29 PolarHBondContact O-N 2.93Å
30Q92.5Very high90.4Very high125 Ų12566.8 Ų66.858%0.58438%0.381SS*.SBendtrans-134.1154.2-176.8-72.3178.818.200110.8H24 L25 Q28H24-Q30 PolarHBondContact CD2-O 3.38Å; L25-Q30 WeakPolarHBondContact CA-O 3.45Å; Q28-Q30 HydrophobicContact CB-CB 4.28Å; Q28-Q30 WeakPolarHBondContact O-CG 3.47Å; Q28-Q30 PolarHBondContact O-N 3.14Å; Q28-Q30 VanDerWaalsContact O-N 3.16Å
31V94.4Very high90.1Very high59 Ų5967 Ų6736%0.35838%0.383SS..  trans-80.3129.9177.5179.60000109.6G33 T181 P183V31-G33 PolarHBondContact O-N 2.87Å; V31-T181 HydrophobicContact CG1-CG2 4.47Å; V31-T181 VanDerWaalsContact CG2-O 3.24Å; V31-T181 WeakPolarHBondContact CG2-O 3.35Å; V31-P183 HydrophobicContact CG2-CG 3.77Å
32L92.7Very high89.8Confident46 Ų4669.1 Ų69.124%0.24140%0.397CS..  trans-77.4106.8172.3-174.360.9000109.9H24 P35H24-L32 HydrophobicContact CB-CB 3.98Å; H24-L32 HydrophobicContact CB-CD2 4.24Å; H24-L32 HydrophobicContact CB-CG 4.5Å; L32-P35 HydrophobicContact CD2-CB 3.81Å; L32-P35 HydrophobicContact CG-CB 4.27Å
33G84.7Confident89.7Confident59 Ų5972.1 Ų72.161%0.60842%0.415SS*.SBendtrans-67.6-52.1-174.900000114.5V31 P35V31-G33 PolarHBondContact O-N 2.87Å; G33-P35 VanDerWaalsContact O-CD 3.3Å; G33-P35 WeakPolarHBondContact O-CD 3.43Å
34N84Confident89.7Confident158 Ų15873.7 Ų73.785%0.84542%0.423SS*.SBendtrans-122.373.9-173.9-67.4-16.5000111.2S36N34-S36 PolarHBondContact O-N 2.89Å
35P83Confident89.7Confident70 Ų7074.3 Ų74.346%0.45543%0.431SS..PPolyproline II helixtrans-64.9126.1178.226.3-32.6000110.8L32 G33L32-P35 HydrophobicContact CD2-CB 3.81Å; L32-P35 HydrophobicContact CG-CB 4.27Å; G33-P35 VanDerWaalsContact O-CD 3.3Å; G33-P35 WeakPolarHBondContact O-CD 3.43Å
36S83.8Confident89.6Confident100 Ų10077 Ų7770%0.69944%0.44SS*.PPolyproline II helixtrans-92.9171170.662.50000110.8N34 T38N34-S36 PolarHBondContact O-N 2.89Å; S36-T38 PolarHBondContact O-N 2.82Å
37W82.1Confident89.6Confident228 Ų22880.8 Ų80.886%0.86446%0.464SS*.PPolyproline II helixtrans-70.6128.8176.8-66.88.2000110.5V39W37-V39 PolarHBondContact O-N 2.84Å
38T80.6Confident89.6Confident44 Ų4480 Ų8027%0.2746%0.458SS..  trans-70115.1174.9-44.70000110.4S20 S36 D66S20-T38 PolarHBondContact OG-OG1 3.45Å; S36-T38 PolarHBondContact O-N 2.82Å; T38-D66 PolarHBondContact OG1-OD2 2.64Å
39V80.3Confident89.7Confident138 Ų13878.1 Ų78.184%0.83645%0.45SS*.  trans-90.4115.5171.9-1790000108.8W37 C41W37-V39 PolarHBondContact O-N 2.84Å; V39-C41 PolarHBondContact O-N 3.45Å; V39-C41 VanDerWaalsContact O-N 3.17Å
40G80.9Confident89.8Confident42 Ų4273.6 Ų73.643%0.43343%0.426SS..SBendtrans72.4-105.3179.400000112.5G68G40-G68 WeakPolarHBondContact O-CA 3.29Å; G40-G68 PolarHBondContact O-N 2.87Å
41C88.2Confident89.7Confident34 Ų3470.9 Ų70.923%0.2341%0.412CS..EExtended strand (participates in β ladder)trans-143.7138.9-179.6-177.60000111V39 W65 D66 F84V39-C41 PolarHBondContact O-N 3.45Å; V39-C41 VanDerWaalsContact O-N 3.17Å; C41-W65 VanDerWaalsContact SG-CE3 3.54Å; C41-D66 VanDerWaalsContact CA-O 3.31Å; C41-D66 WeakPolarHBondContact CA-O 3.46Å; C41-D66 PolarHBondContact SG-O 2.83Å; C41-D66 VanDerWaalsContact SG-O 3.38Å; C41-F84 HydrophobicContact CB-CD1 3.95Å; C41-F84 HydrophobicContact CB-CD2 4.19Å; C41-F84 HydrophobicContact CB-CE1 3.7Å; C41-F84 HydrophobicContact CB-CE2 3.97Å; C41-F84 HydrophobicContact CB-CG 4.19Å; C41-F84 HydrophobicContact CB-CZ 3.71Å
42S92.3Very high89.5Confident64 Ų6475 Ų7545%0.44843%0.427SS..EExtended strand (participates in β ladder)trans-115146.5170.6-174.80000109.6W65 D66S42-W65 CarbonylContact O-C 3.56Å; S42-D66 PolarHBondContact N-O 2.96Å; S42-D66 PolarHBondContact O-N 2.81Å
43V95.1Very high89.3Confident63 Ų6376.2 Ų76.238%0.38245%0.451SS..EExtended strand (participates in β ladder)trans-123.8128.2176.9-174.70000108.7E63 L64 W65V43-E63 HydrophobicContact CG1-CB 4.04Å; V43-L64 WeakPolarHBondContact CA-O 3.44Å; V43-W65 HydrophobicContact CG2-CD2 3.47Å; V43-W65 VanDerWaalsContact CG2-CD2 3.47Å; V43-W65 HydrophobicContact CG2-CE3 3.67Å; V43-W65 HydrophobicContact CG2-CG 3.91Å; V43-W65 HydrophobicContact CG2-CH2 4.1Å; V43-W65 HydrophobicContact CG2-CZ2 3.95Å; V43-W65 HydrophobicContact CG2-CZ3 3.96Å
44D96.4Very high89.7Confident42 Ų4276.2 Ų76.223%0.22544%0.439CS..EExtended strand (participates in β ladder)trans-122.5153.5167.7-157-3000109.1V23 C27 Q28 L64V23-D44 HydrophobicContact CG1-CB 3.63Å; C27-D44 HydrophobicContact CB-CB 4.32Å; C27-D44 VanDerWaalsContact CB-OD2 3.23Å; C27-D44 WeakPolarHBondContact CB-OD2 3.34Å; Q28-D44 PolarHBondContact NE2-OD2 2.88Å; D44-L64 PolarHBondContact N-O 3.43Å; D44-L64 VanDerWaalsContact N-O 3.14Å; D44-L64 PolarHBondContact O-N 2.83Å
45V96.8Very high90.1Very high62 Ų6275.6 Ų75.638%0.37644%0.444SS..EExtended strand (participates in β ladder)trans-115.3120.6-172.8-177.60000110Y61 I62 E63V45-Y61 HydrophobicContact CG1-CD1 3.79Å; V45-Y61 HydrophobicContact CG1-CG 4.32Å; V45-I62 WeakPolarHBondContact CA-O 3.21Å; V45-E63 HydrophobicContact CG2-CG 4.34Å
46R96Very high90.4Very high57 Ų5778 Ų7822%0.21545%0.449CS..EExtended strand (participates in β ladder)trans-95.4130.2170.2179178.5175.6122.7-6.1109.5L26 I62L26-R46 WeakPolarHBondContact O-CD 3.31Å; L26-R46 PolarHBondContact O-NH1 3.32Å; R46-I62 HydrophobicContact CB-CB 4.35Å; R46-I62 PolarHBondContact N-O 3.12Å; R46-I62 PolarHBondContact O-N 3.49Å
47V96.2Very high90.9Very high87 Ų8777.8 Ų77.853%0.52744%0.437SS..EExtended strand (participates in β ladder)trans-80.9125.9166.6-176.30000107.6T59 Y61V47-T59 HydrophobicContact CG1-CG2 3.35Å; V47-Y61 HydrophobicContact CG2-CD1 4.23Å; V47-Y61 HydrophobicContact CG2-CE1 4.05Å
48H96.1Very high91.4Very high11 Ų1171.2 Ų71.25%0.05142%0.415CS..EExtended strand (participates in β ladder)trans-132.8128.4-177.5-179.177.3000110.7T59 Y60 I62 S197 F200 D201H48-T59 WeakPolarHBondContact O-CA 3.28Å; H48-Y60 PolarHBondContact N-O 3.11Å; H48-Y60 PolarHBondContact O-N 3.04Å; H48-I62 HydrophobicContact CB-CD1 3.44Å; H48-I62 VanDerWaalsContact CB-CD1 3.44Å; H48-I62 HydrophobicContact CB-CG1 3.84Å; H48-S197 PolarHBondContact CE1-OG 2.87Å; H48-F200 AromaticContact ND1-CD2 3.76Å; H48-D201 IonicContact CD2-OD1 2.82Å; H48-D201 IonicContact CE1-OD1 2.78Å; H48-D201 IonicContact NE2-OD1 3.18Å; H48-D201 PolarHBondContact NE2-OD1 3.34Å
49D95.1Very high92.1Very high49 Ų4972.2 Ų72.226%0.26242%0.421SS..EExtended strand (participates in β ladder)trans-91.9105.6176.7-61.4-46.2000109.4K51 E52 E57 T59D49-K51 PolarHBondContact O-N 3.11Å; D49-E52 HydrophobicContact CB-CB 4.29Å; D49-E52 HydrophobicContact CB-CG 4.44Å; D49-E57 HydrophobicContact CB-CG 4.33Å; D49-T59 WeakPolarHBondContact OD1-CB 3.34Å; D49-T59 WeakPolarHBondContact OD1-CG2 3.28Å; D49-T59 PolarHBondContact OD1-OG1 3.1Å
50Y94.8Very high92.8Very high8 Ų865.8 Ų65.83%0.03138%0.381CS..EExtended strand (participates in β ladder)trans-65.1130.8175.4173.5-110.5000109.6E52 E57 K58 Y60 D201 I204 E205 F209Y50-E52 VanDerWaalsContact C-N 3.27Å; Y50-E52 PolarHBondContact O-N 3.15Å; Y50-E57 VanDerWaalsContact O-CA 3.26Å; Y50-E57 WeakPolarHBondContact O-CA 3.29Å; Y50-K58 VanDerWaalsContact CB-O 3.29Å; Y50-K58 WeakPolarHBondContact CB-O 3.43Å; Y50-K58 PolarHBondContact N-O 2.76Å; Y50-K58 PolarHBondContact O-N 3.14Å; Y50-Y60 HydrophobicContact CD1-CE2 4.33Å; Y50-Y60 HydrophobicContact CG-CE2 4.12Å; Y50-D201 HydrophobicContact CD2-CB 3.95Å; Y50-D201 WeakPolarHBondContact CD2-OD1 3.47Å; Y50-D201 HydrophobicContact CE2-CB 3.94Å; Y50-I204 HydrophobicContact CD2-CB 4.3Å; Y50-I204 HydrophobicContact CD2-CD1 4.33Å; Y50-I204 HydrophobicContact CD2-CG2 4.06Å; Y50-I204 HydrophobicContact CE2-CG2 4.45Å; Y50-I204 HydrophobicContact CG-CG2 4.27Å; Y50-E205 HydrophobicContact CE2-CG 3.8Å; Y50-E205 WeakPolarHBondContact OH-CG 3.34Å; Y50-E205 PolarHBondContact OH-OE1 3.48Å; Y50-F209 HydrophobicContact CD1-CE2 4.39Å; Y50-F209 AromaticContact CE1-CE2 3.73Å; Y50-F209 HydrophobicContact CE1-CE2 3.73Å; Y50-F209 HydrophobicContact CE1-CZ 4.25Å; Y50-F209 AromaticContact CZ-CE2 3.82Å
51K91Very high93.6Very high68 Ų6867.3 Ų67.330%0.29637%0.374SS..THydrogen-bonded Turntrans49.546.8-178.1-68.2-178.7167.6160.90113.2D49 G53 T54 E56D49-K51 PolarHBondContact O-N 3.11Å; K51-G53 PolarHBondContact O-N 2.99Å; K51-T54 HydrophobicContact CB-CG2 4.29Å; K51-T54 WeakPolarHBondContact CB-OG1 3.26Å; K51-T54 WeakPolarHBondContact O-CB 3.26Å; K51-T54 WeakPolarHBondContact O-CG2 3.34Å; K51-T54 PolarHBondContact O-N 2.87Å; K51-T54 VanDerWaalsContact O-N 3.13Å; K51-T54 PolarHBondContact O-OG1 3.26Å; K51-E56 HydrophobicContact CD-CB 4.04Å; K51-E56 VanDerWaalsContact CD-OE2 3.31Å; K51-E56 WeakPolarHBondContact CD-OE2 3.49Å; K51-E56 WeakPolarHBondContact CE-OE2 3.31Å; K51-E56 IonicContact NZ-OE2 3.93Å; K51-E56 PolarHBondContact NZ-OE2 3.33Å
52E89.3Confident94Very high144 Ų14465.7 Ų65.767%0.67336%0.363SS*.THydrogen-bonded Turntrans-45.1131.8175.5-170.7-175.6178.300111.9D49 Y50 T54D49-E52 HydrophobicContact CB-CB 4.29Å; D49-E52 HydrophobicContact CB-CG 4.44Å; Y50-E52 VanDerWaalsContact C-N 3.27Å; Y50-E52 PolarHBondContact O-N 3.15Å; E52-T54 VanDerWaalsContact C-N 3.34Å
53G88.8Confident94.3Very high72 Ų7264.2 Ų64.274%0.74235%0.35SS*.THydrogen-bonded Turntrans80.58.7178.900000115.2K51 E57K51-G53 PolarHBondContact O-N 2.99Å; G53-E57 PolarHBondContact N-OE2 3.33Å
54T92.6Very high94.4Very high60 Ų6061.2 Ų61.237%0.36833%0.332SS..SBendtrans-113.4162.8175.477.80000111.9K51 E52 E56 E57K51-T54 HydrophobicContact CB-CG2 4.29Å; K51-T54 WeakPolarHBondContact CB-OG1 3.26Å; K51-T54 WeakPolarHBondContact O-CB 3.26Å; K51-T54 WeakPolarHBondContact O-CG2 3.34Å; K51-T54 PolarHBondContact O-N 2.87Å; K51-T54 VanDerWaalsContact O-N 3.13Å; K51-T54 PolarHBondContact O-OG1 3.26Å; E52-T54 VanDerWaalsContact C-N 3.34Å; T54-E56 PolarHBondContact O-N 2.86Å; T54-E56 VanDerWaalsContact O-N 3.1Å; T54-E56 PolarHBondContact OG1-N 2.84Å; T54-E57 VanDerWaalsContact O-CB 3.28Å; T54-E57 WeakPolarHBondContact O-CB 3.15Å; T54-E57 PolarHBondContact O-N 3.17Å; T54-E57 VanDerWaalsContact O-N 3.08Å
55P92.8Very high94.4Very high144 Ų14461.9 Ų61.994%0.93533%0.331SS*.THydrogen-bonded Turntrans-61.8-15173.4-23.534.9000114.8E57P55-E57 VanDerWaalsContact C-N 3.33Å
56E89.5Confident94.2Very high122 Ų12259.1 Ų59.157%0.5731%0.314SS*.THydrogen-bonded Turntrans-94.28.3178.6-62177.6-171.600112.3K51 T54 K58K51-E56 HydrophobicContact CD-CB 4.04Å; K51-E56 VanDerWaalsContact CD-OE2 3.31Å; K51-E56 WeakPolarHBondContact CD-OE2 3.49Å; K51-E56 WeakPolarHBondContact CE-OE2 3.31Å; K51-E56 IonicContact NZ-OE2 3.93Å; K51-E56 PolarHBondContact NZ-OE2 3.33Å; T54-E56 PolarHBondContact O-N 2.86Å; T54-E56 VanDerWaalsContact O-N 3.1Å; T54-E56 PolarHBondContact OG1-N 2.84Å; E56-K58 PolarHBondContact O-N 3.08Å
57E93.8Very high93.8Very high95 Ų9556.5 Ų56.544%0.44430%0.304SS..  trans-56.1128.8-178.8-175.3179.2131.500111.5D49 Y50 G53 T54 P55D49-E57 HydrophobicContact CB-CG 4.33Å; Y50-E57 VanDerWaalsContact O-CA 3.26Å; Y50-E57 WeakPolarHBondContact O-CA 3.29Å; G53-E57 PolarHBondContact N-OE2 3.33Å; T54-E57 VanDerWaalsContact O-CB 3.28Å; T54-E57 WeakPolarHBondContact O-CB 3.15Å; T54-E57 PolarHBondContact O-N 3.17Å; T54-E57 VanDerWaalsContact O-N 3.08Å; P55-E57 VanDerWaalsContact C-N 3.33Å
58K93.5Very high93.1Very high90 Ų9052.8 Ų52.839%0.39128%0.284SS..EExtended strand (participates in β ladder)trans-148.7131.4176.9-178.9173.1169.6-165.60111.2D5 Y50 E56 Y60D5-K58 VanDerWaalsContact OD2-CE 3.31Å; D5-K58 WeakPolarHBondContact OD2-CE 3.29Å; D5-K58 IonicContact OD2-NZ 3.87Å; D5-K58 PolarHBondContact OD2-NZ 3.22Å; Y50-K58 VanDerWaalsContact CB-O 3.29Å; Y50-K58 WeakPolarHBondContact CB-O 3.43Å; Y50-K58 PolarHBondContact N-O 2.76Å; Y50-K58 PolarHBondContact O-N 3.14Å; E56-K58 PolarHBondContact O-N 3.08Å; K58-Y60 HydrophobicContact CB-CE2 3.86Å; K58-Y60 HydrophobicContact CD-CE2 3.88Å; K58-Y60 WeakPolarHBondContact CD-OH 3.5Å; K58-Y60 HydrophobicContact CG-CD2 4.3Å; K58-Y60 HydrophobicContact CG-CE2 3.71Å; K58-Y60 PolarHBondContact NZ-OH 3.28Å; K58-Y60 WeakPolarHBondContact O-CD2 3.31Å
59T94.6Very high91.9Very high65 Ų6553.7 Ų53.740%0.39930%0.296SS..EExtended strand (participates in β ladder)trans-77.2130.7176.9-49.50000111.6V47 H48 D49V47-T59 HydrophobicContact CG1-CG2 3.35Å; H48-T59 WeakPolarHBondContact O-CA 3.28Å; D49-T59 WeakPolarHBondContact OD1-CB 3.34Å; D49-T59 WeakPolarHBondContact OD1-CG2 3.28Å; D49-T59 PolarHBondContact OD1-OG1 3.1Å
60Y95.9Very high90.4Very high2 Ų253.7 Ų53.71%0.00830%0.3CS..EExtended strand (participates in β ladder)trans-121.8150.4173.5-71-97000110.6D5 H48 Y50 K58 I204 Y208D5-Y60 HydrophobicContact CB-CD1 3.39Å; D5-Y60 HydrophobicContact CB-CE1 3.36Å; H48-Y60 PolarHBondContact N-O 3.11Å; H48-Y60 PolarHBondContact O-N 3.04Å; Y50-Y60 HydrophobicContact CD1-CE2 4.33Å; Y50-Y60 HydrophobicContact CG-CE2 4.12Å; K58-Y60 HydrophobicContact CB-CE2 3.86Å; K58-Y60 HydrophobicContact CD-CE2 3.88Å; K58-Y60 WeakPolarHBondContact CD-OH 3.5Å; K58-Y60 HydrophobicContact CG-CD2 4.3Å; K58-Y60 HydrophobicContact CG-CE2 3.71Å; K58-Y60 PolarHBondContact NZ-OH 3.28Å; K58-Y60 WeakPolarHBondContact O-CD2 3.31Å; Y60-I204 HydrophobicContact CD1-CD1 4.48Å; Y60-I204 HydrophobicContact CD1-CG1 4.35Å; Y60-I204 HydrophobicContact CD1-CG2 4.15Å; Y60-I204 HydrophobicContact CD2-CD1 3.75Å; Y60-I204 HydrophobicContact CD2-CG1 4.39Å; Y60-I204 HydrophobicContact CD2-CG2 4.07Å; Y60-I204 HydrophobicContact CE1-CG2 3.81Å; Y60-I204 HydrophobicContact CE2-CD1 4.44Å; Y60-I204 HydrophobicContact CE2-CG2 3.7Å; Y60-I204 HydrophobicContact CG-CD1 3.79Å; Y60-I204 HydrophobicContact CG-CG1 4.14Å; Y60-I204 HydrophobicContact CG-CG2 4.29Å; Y60-Y208 HydrophobicContact CD1-CD2 4.47Å; Y60-Y208 HydrophobicContact CD1-CE2 4.02Å; Y60-Y208 AromaticContact CE1-CD2 3.83Å; Y60-Y208 HydrophobicContact CE1-CD2 3.83Å; Y60-Y208 AromaticContact CE1-CE2 3.71Å; Y60-Y208 HydrophobicContact CE1-CE2 3.71Å; Y60-Y208 HydrophobicContact CE1-CG 4.47Å
61Y96.5Very high88.8Confident74 Ų7453.4 Ų53.429%0.2930%0.299SS..EExtended strand (participates in β ladder)trans-97.8116.7172-63.8-88.3000109.6L4 D5 R6 V7 V45 V47L4-Y61 HydrophobicContact CB-CD2 3.83Å; L4-Y61 HydrophobicContact CB-CE2 3.75Å; L4-Y61 HydrophobicContact CD1-CD2 4.39Å; L4-Y61 HydrophobicContact CD1-CE2 3.73Å; L4-Y61 HydrophobicContact CD2-CD2 4.41Å; L4-Y61 HydrophobicContact CD2-CE2 3.5Å; L4-Y61 VanDerWaalsContact CD2-CE2 3.5Å; L4-Y61 HydrophobicContact CG-CD2 4.41Å; L4-Y61 HydrophobicContact CG-CE2 3.82Å; D5-Y61 PolarHBondContact O-N 3Å; D5-Y61 VanDerWaalsContact O-N 3.08Å; R6-Y61 VanDerWaalsContact CA-O 3.3Å; R6-Y61 WeakPolarHBondContact CA-O 3.24Å; V7-Y61 PolarHBondContact N-O 3.17Å; V45-Y61 HydrophobicContact CG1-CD1 3.79Å; V45-Y61 HydrophobicContact CG1-CG 4.32Å; V47-Y61 HydrophobicContact CG2-CD1 4.23Å; V47-Y61 HydrophobicContact CG2-CE1 4.05Å
62I97.5Very high87Confident0 Ų053 Ų530%031%0.314CS..EExtended strand (participates in β ladder)trans-98.2110.5178.7-51.8-167.8000108.1V7 V9 V45 R46 H48 L64 F200V7-I62 HydrophobicContact CG2-CB 4.1Å; V7-I62 HydrophobicContact CG2-CD1 4.3Å; V7-I62 HydrophobicContact CG2-CG1 3.67Å; V7-I62 HydrophobicContact CG2-CG2 4.1Å; V9-I62 HydrophobicContact CB-CG2 4.31Å; V9-I62 HydrophobicContact CG2-CG2 3.85Å; V45-I62 WeakPolarHBondContact CA-O 3.21Å; R46-I62 HydrophobicContact CB-CB 4.35Å; R46-I62 PolarHBondContact N-O 3.12Å; R46-I62 PolarHBondContact O-N 3.49Å; H48-I62 HydrophobicContact CB-CD1 3.44Å; H48-I62 VanDerWaalsContact CB-CD1 3.44Å; H48-I62 HydrophobicContact CB-CG1 3.84Å; I62-L64 HydrophobicContact CG2-CD2 3.91Å; I62-L64 PolarHBondContact O-N 3.15Å; I62-F200 HydrophobicContact CD1-CB 3.51Å; I62-F200 HydrophobicContact CD1-CD1 3.34Å; I62-F200 HydrophobicContact CD1-CD2 3.77Å; I62-F200 HydrophobicContact CD1-CE1 3.92Å; I62-F200 HydrophobicContact CD1-CE2 4.29Å; I62-F200 HydrophobicContact CD1-CG 3.26Å; I62-F200 HydrophobicContact CD1-CZ 4.36Å; I62-F200 HydrophobicContact CG2-CD1 4.07Å; I62-F200 HydrophobicContact CG2-CE1 3.8Å; I62-F200 HydrophobicContact CG2-CZ 4.44Å
63E97.8Very high85.5Confident34 Ų3448.1 Ų48.116%0.15930%0.296CS..EExtended strand (participates in β ladder)trans-82112.7173.3-60.8-179.1175.100108.7R6 V7 V9 V43 V45 W65R6-E63 WeakPolarHBondContact CD-OE1 3.43Å; R6-E63 IonicContact NH1-OE1 3.18Å; R6-E63 PolarHBondContact NH1-OE1 3.18Å; V7-E63 PolarHBondContact O-N 3.05Å; V9-E63 PolarHBondContact N-O 3.1Å; V43-E63 HydrophobicContact CG1-CB 4.04Å; V45-E63 HydrophobicContact CG2-CG 4.34Å; E63-W65 PolarHBondContact OE2-NE1 2.96Å; E63-W65 VanDerWaalsContact OE2-NE1 3.17Å
64L97.9Very high84Confident0 Ų047.7 Ų47.70%029%0.285CS..EExtended strand (participates in β ladder)trans-92.8107.5174-62.4-175.8000109.2V9 V11 V23 L26 V43 D44 I62 D66 I92 F200V9-L64 HydrophobicContact CB-CD2 3.95Å; V9-L64 HydrophobicContact CG1-CD2 4.02Å; V11-L64 HydrophobicContact CG2-CB 4.34Å; V23-L64 HydrophobicContact CG1-CB 3.94Å; V23-L64 HydrophobicContact CG1-CD1 4.19Å; V23-L64 HydrophobicContact CG2-CB 4.25Å; V23-L64 HydrophobicContact CG2-CD1 4.47Å; L26-L64 HydrophobicContact CB-CD1 3.81Å; L26-L64 HydrophobicContact CD1-CD1 3.83Å; L26-L64 HydrophobicContact CG-CD1 4.49Å; V43-L64 WeakPolarHBondContact CA-O 3.44Å; D44-L64 PolarHBondContact N-O 3.43Å; D44-L64 VanDerWaalsContact N-O 3.14Å; D44-L64 PolarHBondContact O-N 2.83Å; I62-L64 HydrophobicContact CG2-CD2 3.91Å; I62-L64 PolarHBondContact O-N 3.15Å; L64-D66 PolarHBondContact O-N 3.46Å; L64-I92 HydrophobicContact CD2-CD1 4.4Å; L64-F200 HydrophobicContact CD2-CE1 4.24Å; L64-F200 HydrophobicContact CD2-CZ 4.34Å
65W96.2Very high82.2Confident56 Ų5648.9 Ų48.921%0.21230%0.296CS..EExtended strand (participates in β ladder)trans-92.396.8-179.1-71.563.7000109.7K8 V9 L10 V11 C41 S42 V43 E63 V67 F84K8-W65 HydrophobicContact CD-CD2 4.48Å; K8-W65 HydrophobicContact CG-CG 4.34Å; V9-W65 PolarHBondContact O-N 2.9Å; L10-W65 HydrophobicContact CD2-CB 3.85Å; L10-W65 HydrophobicContact CD2-CG 4.46Å; V11-W65 PolarHBondContact N-O 3.19Å; C41-W65 VanDerWaalsContact SG-CE3 3.54Å; S42-W65 CarbonylContact O-C 3.56Å; V43-W65 HydrophobicContact CG2-CD2 3.47Å; V43-W65 VanDerWaalsContact CG2-CD2 3.47Å; V43-W65 HydrophobicContact CG2-CE3 3.67Å; V43-W65 HydrophobicContact CG2-CG 3.91Å; V43-W65 HydrophobicContact CG2-CH2 4.1Å; V43-W65 HydrophobicContact CG2-CZ2 3.95Å; V43-W65 HydrophobicContact CG2-CZ3 3.96Å; E63-W65 PolarHBondContact OE2-NE1 2.96Å; E63-W65 VanDerWaalsContact OE2-NE1 3.17Å; W65-V67 PolarHBondContact O-N 3.02Å; W65-F84 HydrophobicContact CE3-CD1 4.15Å; W65-F84 AromaticContact CZ3-CD1 3.85Å; W65-F84 HydrophobicContact CZ3-CD1 3.85Å; W65-F84 HydrophobicContact CZ3-CE1 4.46Å
66D93.3Very high80.2Confident4 Ų445.4 Ų45.42%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-74.7103.6171.2178.822.3000109.2K19 S20 V23 T38 C41 S42 L64K19-D66 VanDerWaalsContact CB-OD1 3.28Å; K19-D66 WeakPolarHBondContact CB-OD1 3.41Å; K19-D66 WeakPolarHBondContact CE-OD1 3.32Å; S20-D66 WeakPolarHBondContact CB-OD2 3.4Å; S20-D66 PolarHBondContact OG-OD2 2.83Å; V23-D66 HydrophobicContact CG2-CB 4.23Å; T38-D66 PolarHBondContact OG1-OD2 2.64Å; C41-D66 VanDerWaalsContact CA-O 3.31Å; C41-D66 WeakPolarHBondContact CA-O 3.46Å; C41-D66 PolarHBondContact SG-O 2.83Å; C41-D66 VanDerWaalsContact SG-O 3.38Å; S42-D66 PolarHBondContact N-O 2.96Å; S42-D66 PolarHBondContact O-N 2.81Å; L64-D66 PolarHBondContact O-N 3.46Å
67V87.7Confident78.7Confident1 Ų142.4 Ų42.41%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-97116.9-178.6-170.70000109.5L10 V11 L12 K19 W65 R81 F84L10-V67 HydrophobicContact CD2-CG2 4.24Å; V11-V67 PolarHBondContact O-N 3.36Å; L12-V67 HydrophobicContact CD2-CB 3.88Å; L12-V67 HydrophobicContact CD2-CG2 4Å; K19-V67 VanDerWaalsContact CE-O 3.24Å; K19-V67 WeakPolarHBondContact CE-O 3.23Å; W65-V67 PolarHBondContact O-N 3.02Å; V67-R81 VanDerWaalsContact CG1-CD 3.42Å; V67-R81 HydrophobicContact CG1-CG 3.32Å; V67-F84 HydrophobicContact CG1-CD2 4.18Å; V67-F84 HydrophobicContact CG2-CB 4.33Å
68G79.8Confident77.1Confident10 Ų1041.7 Ų41.710%0.10326%0.26CS..  trans-74.9172.617700000113.7G40 R81G40-G68 WeakPolarHBondContact O-CA 3.29Å; G40-G68 PolarHBondContact O-N 2.87Å; G68-R81 WeakPolarHBondContact O-CD 3.46Å
69G71.3Confident75.4Confident30 Ų3039.6 Ų39.631%0.30926%0.257SS..  trans111.2-175.9174.300000114.8
70S65.1Low74.1Confident48 Ų4841.1 Ų41.134%0.33627%0.266SS..  trans-126145.6180176.70000110.5G72 S73 R81S70-G72 PolarHBondContact O-N 2.65Å; S70-G72 PolarHBondContact OG-N 3.16Å; S70-S73 PolarHBondContact O-N 3.08Å; S70-R81 PolarHBondContact O-NH1 3.48Å
71V60.8Low73.3Confident3 Ų341.4 Ų41.42%0.01827%0.267CS..THydrogen-bonded Turntrans-67.3-15.9172.9-76.50000113.5K78 N105 R108 W109V71-K78 WeakPolarHBondContact O-CE 3.19Å; V71-N105 HydrophobicContact CG2-CB 4Å; V71-R108 HydrophobicContact CB-CB 4.32Å; V71-R108 HydrophobicContact CG1-CB 4.06Å; V71-R108 PolarHBondContact O-NH1 3.33Å; V71-W109 HydrophobicContact CG1-CD2 3.62Å; V71-W109 HydrophobicContact CG1-CE3 4.36Å; V71-W109 HydrophobicContact CG1-CG 3.75Å; V71-W109 HydrophobicContact CG1-CZ2 3.91Å; V71-W109 VanDerWaalsContact CG1-NE1 3.26Å
72G53.5Low72.4Confident60 Ų6040 Ų4062%0.61927%0.272SS*.THydrogen-bonded Turntrans-93-1.6176.700000114.6S70S70-G72 PolarHBondContact O-N 2.65Å; S70-G72 PolarHBondContact OG-N 3.16Å
73S56.8Low71.5Confident41 Ų4144.3 Ų44.329%0.28730%0.297SS..SBendtrans-68.5152.1178.7-67.60000111.7S70S70-S73 PolarHBondContact O-N 3.08Å
74A56.5Low70.8Confident62 Ų6245 Ų4551%0.51230%0.3SS..  trans-47.3152.717800000112.2S76 V77 K78A74-S76 PolarHBondContact O-N 2.84Å; A74-V77 PolarHBondContact O-N 3.19Å; A74-K78 PolarHBondContact O-N 3.43Å
75S56Low70.1Confident85 Ų8545.5 Ų45.559%0.59430%0.302SS*.Hα-helixtrans-49-35.7-179.250.30000113.2V77 K78 S79S75-V77 VanDerWaalsContact C-N 3.32Å; S75-V77 PolarHBondContact O-N 2.61Å; S75-K78 WeakPolarHBondContact O-CB 3.24Å; S75-K78 PolarHBondContact O-N 2.96Å; S75-S79 PolarHBondContact O-N 3.4Å; S75-S79 PolarHBondContact O-OG 3.16Å; S75-S79 VanDerWaalsContact O-OG 3.11Å
76S50.9Low69.4Low71 Ų7147.5 Ų47.550%0.49732%0.317SS..Hα-helixtrans-58.3-35.6175.2530000114.6A74 T80A74-S76 PolarHBondContact O-N 2.84Å; S76-T80 PolarHBondContact O-N 3.24Å; S76-T80 VanDerWaalsContact O-N 3.11Å; S76-T80 PolarHBondContact O-OG1 2.77Å
77V58.3Low68.9Low59 Ų5951.8 Ų51.836%0.35835%0.347SS..Hα-helixtrans-74.7-35.1177.9-179.40000110.9A74 S75 T80 R81A74-V77 PolarHBondContact O-N 3.19Å; S75-V77 VanDerWaalsContact C-N 3.32Å; S75-V77 PolarHBondContact O-N 2.61Å; V77-T80 PolarHBondContact O-N 3.01Å; V77-R81 WeakPolarHBondContact O-CB 3.45Å; V77-R81 PolarHBondContact O-N 3.49Å; V77-R81 VanDerWaalsContact O-N 3.12Å
78K59.9Low69Low80 Ų8052.3 Ų52.335%0.34835%0.35SS..Hα-helixtrans-65.3-44.3173.3-61.1-173.4178.8-177.40111.1V71 A74 S75 T80 R81 A82V71-K78 WeakPolarHBondContact O-CE 3.19Å; A74-K78 PolarHBondContact O-N 3.43Å; S75-K78 WeakPolarHBondContact O-CB 3.24Å; S75-K78 PolarHBondContact O-N 2.96Å; K78-T80 VanDerWaalsContact C-N 3.3Å; K78-T80 PolarHBondContact O-N 2.97Å; K78-R81 PolarHBondContact O-N 3.36Å; K78-R81 VanDerWaalsContact O-N 3.15Å; K78-A82 PolarHBondContact O-N 3.42Å
79S58Low69.6Low47 Ų4753.1 Ų53.133%0.32935%0.352SS..Hα-helixtrans-60.2-39175.9-56.40000112.7S75 R81 P120S75-S79 PolarHBondContact O-N 3.4Å; S75-S79 PolarHBondContact O-OG 3.16Å; S75-S79 VanDerWaalsContact O-OG 3.11Å; S79-R81 VanDerWaalsContact C-N 3.34Å; S79-P120 VanDerWaalsContact OG-CB 3.26Å; S79-P120 WeakPolarHBondContact OG-CB 3.28Å
80T67.1Low70.7Confident96 Ų9651.7 Ų51.759%0.58934%0.338SS*.Hα-helixtrans-68.1-35.5177.1-550000111.6S76 V77 K78 V83S76-T80 PolarHBondContact O-N 3.24Å; S76-T80 VanDerWaalsContact O-N 3.11Å; S76-T80 PolarHBondContact O-OG1 2.77Å; V77-T80 PolarHBondContact O-N 3.01Å; K78-T80 VanDerWaalsContact C-N 3.3Å; K78-T80 PolarHBondContact O-N 2.97Å; T80-V83 WeakPolarHBondContact O-CG2 3.45Å
81R78Confident72.1Confident8 Ų849.5 Ų49.53%0.0332%0.322CS..Hα-helixtrans-77.7-26.8-177.4-161.717147.3-1270.9113.3V67 G68 S70 V77 K78 S79 V83 F84 Y85 E112V67-R81 VanDerWaalsContact CG1-CD 3.42Å; V67-R81 HydrophobicContact CG1-CG 3.32Å; G68-R81 WeakPolarHBondContact O-CD 3.46Å; S70-R81 PolarHBondContact O-NH1 3.48Å; V77-R81 WeakPolarHBondContact O-CB 3.45Å; V77-R81 PolarHBondContact O-N 3.49Å; V77-R81 VanDerWaalsContact O-N 3.12Å; K78-R81 PolarHBondContact O-N 3.36Å; K78-R81 VanDerWaalsContact O-N 3.15Å; S79-R81 VanDerWaalsContact C-N 3.34Å; R81-V83 PolarHBondContact O-N 3.27Å; R81-V83 VanDerWaalsContact O-N 3.14Å; R81-F84 HydrophobicContact CG-CD2 4.22Å; R81-F84 WeakPolarHBondContact O-CB 3.44Å; R81-F84 WeakPolarHBondContact O-CD2 3.36Å; R81-F84 PolarHBondContact O-N 3.44Å; R81-Y85 WeakPolarHBondContact CD-OH 3.36Å; R81-Y85 HydrophobicContact CG-CE1 4.3Å; R81-Y85 WeakPolarHBondContact CG-OH 3.44Å; R81-Y85 PolarHBondContact NE-OH 2.86Å; R81-Y85 VanDerWaalsContact NE-OH 3.1Å; R81-E112 IonicContact CZ-OE1 2.64Å; R81-E112 IonicContact CZ-OE2 2.63Å; R81-E112 IonicContact NE-OE1 3.77Å; R81-E112 PolarHBondContact NE-OE1 3.48Å; R81-E112 IonicContact NH2-OE1 2.89Å; R81-E112 PolarHBondContact NH2-OE1 3.45Å; R81-E112 IonicContact NH2-OE2 2.74Å; R81-E112 PolarHBondContact NH2-OE2 3.44Å
82A77.4Confident73.8Confident46 Ų4649.3 Ų49.338%0.3832%0.321SS..Hα-helixtrans-56.2-29.3177.900000113.6K78 F84 Y85K78-A82 PolarHBondContact O-N 3.42Å; A82-F84 PolarHBondContact O-N 2.78Å; A82-F84 VanDerWaalsContact O-N 3.13Å; A82-Y85 PolarHBondContact O-N 3.3Å
83V79.5Confident75.8Confident89 Ų8946.5 Ų46.554%0.53929%0.292SS..G310 helixtrans-58.3-27.7176.7-51.60000112.4T80 R81 N86T80-V83 WeakPolarHBondContact O-CG2 3.45Å; R81-V83 PolarHBondContact O-N 3.27Å; R81-V83 VanDerWaalsContact O-N 3.14Å; V83-N86 PolarHBondContact O-ND2 3.31Å
84F83.8Confident77.7Confident49 Ų4944.6 Ų44.622%0.21528%0.278CS..G310 helixtrans-81-14.5179.2-56.6-61.1000113K8 C41 W65 V67 R81 A82 N86K8-F84 WeakPolarHBondContact CE-O 3.48Å; K8-F84 PolarHBondContact NZ-O 3.35Å; C41-F84 HydrophobicContact CB-CD1 3.95Å; C41-F84 HydrophobicContact CB-CD2 4.19Å; C41-F84 HydrophobicContact CB-CE1 3.7Å; C41-F84 HydrophobicContact CB-CE2 3.97Å; C41-F84 HydrophobicContact CB-CG 4.19Å; C41-F84 HydrophobicContact CB-CZ 3.71Å; W65-F84 HydrophobicContact CE3-CD1 4.15Å; W65-F84 AromaticContact CZ3-CD1 3.85Å; W65-F84 HydrophobicContact CZ3-CD1 3.85Å; W65-F84 HydrophobicContact CZ3-CE1 4.46Å; V67-F84 HydrophobicContact CG1-CD2 4.18Å; V67-F84 HydrophobicContact CG2-CB 4.33Å; R81-F84 HydrophobicContact CG-CD2 4.22Å; R81-F84 WeakPolarHBondContact O-CB 3.44Å; R81-F84 WeakPolarHBondContact O-CD2 3.36Å; R81-F84 PolarHBondContact O-N 3.44Å; A82-F84 PolarHBondContact O-N 2.78Å; A82-F84 VanDerWaalsContact O-N 3.13Å; F84-N86 VanDerWaalsContact C-N 3.33Å; F84-N86 PolarHBondContact O-N 3.1Å
85Y82.7Confident79.6Confident10 Ų1041.8 Ų41.84%0.03926%0.255CS..G310 helixtrans-88.91.8-175.7-54.7-24.5000114.1L10 L12 R81 A82 V88 W109 E112 R116L10-Y85 HydrophobicContact CD1-CD1 3.43Å; L10-Y85 VanDerWaalsContact CD1-CD1 3.43Å; L10-Y85 HydrophobicContact CD1-CE1 4.03Å; L10-Y85 HydrophobicContact CD1-CG 4.24Å; L10-Y85 HydrophobicContact CD2-CD1 4.4Å; L12-Y85 HydrophobicContact CD1-CE1 4.44Å; L12-Y85 HydrophobicContact CD2-CE1 3.84Å; R81-Y85 WeakPolarHBondContact CD-OH 3.36Å; R81-Y85 HydrophobicContact CG-CE1 4.3Å; R81-Y85 WeakPolarHBondContact CG-OH 3.44Å; R81-Y85 PolarHBondContact NE-OH 2.86Å; R81-Y85 VanDerWaalsContact NE-OH 3.1Å; A82-Y85 PolarHBondContact O-N 3.3Å; Y85-V88 WeakPolarHBondContact O-CG2 3.49Å; Y85-W109 WeakPolarHBondContact OH-CZ3 3.35Å; Y85-E112 HydrophobicContact CE2-CB 4.47Å; Y85-E112 HydrophobicContact CE2-CG 3.89Å; Y85-E112 VanDerWaalsContact CE2-OE1 3.31Å; Y85-E112 WeakPolarHBondContact CE2-OE1 3.43Å; Y85-E112 PolarHBondContact OH-OE1 3.47Å; Y85-R116 PolarHBondContact O-NH2 2.91Å
86N80.6Confident81.5Confident99 Ų9938.2 Ų38.253%0.52923%0.229SC..THydrogen-bonded Turntrans-69.5140.9174-69.1-33.4000111.9K8 V83 F84 V88K8-N86 PolarHBondContact NZ-O 3.38Å; V83-N86 PolarHBondContact O-ND2 3.31Å; F84-N86 VanDerWaalsContact C-N 3.33Å; F84-N86 PolarHBondContact O-N 3.1Å; N86-V88 VanDerWaalsContact C-N 3.33Å; N86-V88 PolarHBondContact O-N 2.78Å
87S83.6Confident83.7Confident94 Ų9434.9 Ų34.966%0.65721%0.206SC*.THydrogen-bonded Turntrans54.141.2173.3-55.20000115.1
88V89.7Confident85.4Confident11 Ų1135.1 Ų35.17%0.06721%0.207CC..  trans-78.5138.3-179.7177.20000110.2L10 Y85 N86 G90 I91 I140L10-V88 HydrophobicContact CD1-CB 4.39Å; L10-V88 HydrophobicContact CD1-CG1 4.03Å; L10-V88 HydrophobicContact CD1-CG2 3.47Å; L10-V88 VanDerWaalsContact CD1-CG2 3.47Å; L10-V88 HydrophobicContact CD2-CG2 4.12Å; L10-V88 HydrophobicContact CG-CB 4.41Å; L10-V88 HydrophobicContact CG-CG1 3.85Å; L10-V88 HydrophobicContact CG-CG2 3.6Å; Y85-V88 WeakPolarHBondContact O-CG2 3.49Å; N86-V88 VanDerWaalsContact C-N 3.33Å; N86-V88 PolarHBondContact O-N 2.78Å; V88-G90 WeakPolarHBondContact CG1-O 3.44Å; V88-I91 HydrophobicContact CG1-CD1 4.39Å; V88-I91 HydrophobicContact CG1-CG1 3.75Å; V88-I140 HydrophobicContact CG1-CG2 4.4Å
89N92.8Very high87.1Confident28 Ų2834.6 Ų34.615%0.1521%0.208CC..  trans-110.5-22.8-180-48.9132000112.7V7 K8 P141 V203 R207V7-N89 WeakPolarHBondContact CA-OD1 3.3Å; V7-N89 HydrophobicContact CB-CB 4.36Å; K8-N89 PolarHBondContact N-OD1 3.5Å; K8-N89 WeakPolarHBondContact O-CA 3.48Å; K8-N89 WeakPolarHBondContact O-CB 3.36Å; K8-N89 PolarHBondContact O-N 2.63Å; N89-P141 VanDerWaalsContact O-CD 3.28Å; N89-P141 WeakPolarHBondContact O-CD 3.42Å; N89-V203 HydrophobicContact CB-CG1 3.75Å; N89-R207 WeakPolarHBondContact ND2-CD 3.39Å
90G94.1Very high88.7Confident0 Ų037.6 Ų37.60%022%0.215CC..EExtended strand (participates in β ladder)trans-155.4161.4173.300000111.4K8 V9 L10 V88 P141K8-G90 PolarHBondContact O-N 3.14Å; V9-G90 VanDerWaalsContact CA-O 3.29Å; V9-G90 WeakPolarHBondContact CA-O 3.16Å; L10-G90 PolarHBondContact N-O 3.34Å; V88-G90 WeakPolarHBondContact CG1-O 3.44Å; G90-P141 WeakPolarHBondContact CA-O 3.29Å
91I94.6Very high89.8Confident1 Ų138.2 Ų38.21%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-133.6131.5176.8-55.9173.5000110L10 L12 V88 F93 A113 L114 I140 P141 L142 L143L10-I91 HydrophobicContact CB-CG1 4.37Å; L10-I91 HydrophobicContact CB-CG2 4.43Å; L12-I91 HydrophobicContact CD1-CG2 3.98Å; L12-I91 HydrophobicContact CG-CG2 4.33Å; V88-I91 HydrophobicContact CG1-CD1 4.39Å; V88-I91 HydrophobicContact CG1-CG1 3.75Å; I91-F93 HydrophobicContact CG2-CD1 4.17Å; I91-F93 HydrophobicContact CG2-CD2 4.27Å; I91-F93 HydrophobicContact CG2-CE1 3.78Å; I91-F93 HydrophobicContact CG2-CE2 3.9Å; I91-F93 HydrophobicContact CG2-CG 4.39Å; I91-F93 HydrophobicContact CG2-CZ 3.62Å; I91-A113 HydrophobicContact CD1-CB 3.99Å; I91-L114 HydrophobicContact CD1-CD2 3.75Å; I91-L114 HydrophobicContact CD1-CG 4.26Å; I91-I140 HydrophobicContact CD1-CG2 4.28Å; I91-I140 HydrophobicContact CG1-CG2 4Å; I91-P141 PolarHBondContact N-O 2.92Å; I91-L142 HydrophobicContact CB-CD2 3.8Å; I91-L142 HydrophobicContact CD1-CD2 4.17Å; I91-L142 HydrophobicContact CG1-CD2 4.29Å; I91-L142 WeakPolarHBondContact O-CA 3.49Å; I91-L143 PolarHBondContact O-N 2.97Å
92I96.9Very high90.5Very high0 Ų037.9 Ų37.90%021%0.208CC..EExtended strand (participates in β ladder)trans-105.7117168.6-57.8178.2000107.9V9 L10 V11 L12 L22 L64 V94 L143 I145 F199V9-I92 HydrophobicContact CG1-CD1 3.9Å; V9-I92 HydrophobicContact CG1-CG1 3.74Å; L10-I92 PolarHBondContact O-N 3.48Å; V11-I92 WeakPolarHBondContact CA-O 3.33Å; V11-I92 HydrophobicContact CG2-CB 4.45Å; L12-I92 PolarHBondContact N-O 3.17Å; L22-I92 HydrophobicContact CD2-CG2 4.47Å; L64-I92 HydrophobicContact CD2-CD1 4.4Å; I92-V94 HydrophobicContact CG2-CG2 4.03Å; I92-L143 CarbonylContact C-O 3.56Å; I92-L143 VanDerWaalsContact CA-O 3.32Å; I92-L143 WeakPolarHBondContact CA-O 3.36Å; I92-L143 HydrophobicContact CD1-CD2 4.28Å; I92-L143 HydrophobicContact CG1-CB 4.3Å; I92-L143 HydrophobicContact CG1-CD2 4.18Å; I92-I145 HydrophobicContact CG2-CB 4.41Å; I92-I145 HydrophobicContact CG2-CD1 3.76Å; I92-I145 HydrophobicContact CG2-CG1 3.88Å; I92-F199 HydrophobicContact CD1-CE1 3.98Å; I92-F199 HydrophobicContact CG1-CE1 3.72Å; I92-F199 HydrophobicContact CG1-CZ 3.86Å
93F95.4Very high91.2Very high1 Ų135.8 Ų35.80%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-92.1124.7171.5-71-61.4000110.2L12 I91 L106 W109 S110 L142 L143 V144 I145L12-F93 HydrophobicContact CB-CD1 4.11Å; L12-F93 HydrophobicContact CB-CE1 4.23Å; L12-F93 HydrophobicContact CD1-CE1 4.09Å; L12-F93 CarbonylContact O-C 3.53Å; L12-F93 WeakPolarHBondContact O-CA 3.44Å; I91-F93 HydrophobicContact CG2-CD1 4.17Å; I91-F93 HydrophobicContact CG2-CD2 4.27Å; I91-F93 HydrophobicContact CG2-CE1 3.78Å; I91-F93 HydrophobicContact CG2-CE2 3.9Å; I91-F93 HydrophobicContact CG2-CG 4.39Å; I91-F93 HydrophobicContact CG2-CZ 3.62Å; F93-L106 HydrophobicContact CB-CD1 3.99Å; F93-L106 HydrophobicContact CB-CD2 3.87Å; F93-L106 HydrophobicContact CB-CG 4.39Å; F93-L106 HydrophobicContact CD1-CD2 4.22Å; F93-L106 HydrophobicContact CG-CD2 4.41Å; F93-W109 HydrophobicContact CD1-CB 4.21Å; F93-W109 HydrophobicContact CE1-CB 3.95Å; F93-S110 VanDerWaalsContact CZ-CB 3.48Å; F93-L142 HydrophobicContact CE2-CD1 4.26Å; F93-L142 HydrophobicContact CE2-CD2 4.06Å; F93-L143 PolarHBondContact N-O 2.85Å; F93-V144 HydrophobicContact CB-CG2 4.38Å; F93-V144 CarbonylContact O-C 3.59Å; F93-V144 WeakPolarHBondContact O-CA 3.42Å; F93-I145 PolarHBondContact O-N 3.12Å
94V96.6Very high91.6Very high0 Ų036 Ų360%019%0.186CC..EExtended strand (participates in β ladder)trans-114.9127.5-176.3-168.10000109.6V11 L12 G13 V17 K19 L22 I92 I145 T147V11-V94 HydrophobicContact CG1-CG2 3.56Å; L12-V94 PolarHBondContact O-N 3.05Å; G13-V94 WeakPolarHBondContact CA-O 3.49Å; V17-V94 HydrophobicContact CG2-CB 4.12Å; V17-V94 HydrophobicContact CG2-CG1 3.9Å; K19-V94 HydrophobicContact CG-CB 3.96Å; K19-V94 HydrophobicContact CG-CG1 4.3Å; K19-V94 HydrophobicContact CG-CG2 4.12Å; L22-V94 HydrophobicContact CD2-CG1 4.22Å; L22-V94 HydrophobicContact CD2-CG2 3.63Å; I92-V94 HydrophobicContact CG2-CG2 4.03Å; V94-I145 WeakPolarHBondContact CA-O 3.47Å; V94-T147 HydrophobicContact CG1-CG2 3.55Å
95H95.8Very high91.8Very high4 Ų434.1 Ų34.12%0.01918%0.178CC..EExtended strand (participates in β ladder)trans-132.9159.417272.695.7000111.1L106 I145 G146 T147 T164H95-L106 HydrophobicContact CB-CD1 3.97Å; H95-L106 HydrophobicContact CB-CD2 4.41Å; H95-L106 HydrophobicContact CB-CG 4.23Å; H95-I145 PolarHBondContact N-O 3.38Å; H95-G146 WeakPolarHBondContact O-CA 3.49Å; H95-T147 PolarHBondContact O-N 2.78Å; H95-T147 PolarHBondContact O-OG1 3.32Å; H95-T164 WeakPolarHBondContact NE2-CG2 3.38Å
96D95.9Very high92.1Very high9 Ų933.6 Ų33.65%0.04818%0.176CC..EExtended strand (participates in β ladder)trans-92.9121177177.1-14.9000108.6V17 T98 N99 S102 K148V17-D96 HydrophobicContact CB-CB 4.06Å; V17-D96 HydrophobicContact CG1-CB 3.98Å; D96-T98 VanDerWaalsContact CG-OG1 3.23Å; D96-T98 PolarHBondContact O-N 2.67Å; D96-T98 WeakPolarHBondContact OD1-CA 3.28Å; D96-T98 VanDerWaalsContact OD1-CB 3.32Å; D96-T98 WeakPolarHBondContact OD1-CB 3.44Å; D96-T98 PolarHBondContact OD1-N 2.82Å; D96-T98 PolarHBondContact OD1-OG1 3.46Å; D96-T98 PolarHBondContact OD2-OG1 3.13Å; D96-N99 HydrophobicContact CB-CB 4.04Å; D96-N99 CarbonylContact O-C 3.45Å; D96-N99 PolarHBondContact O-N 3.34Å; D96-N99 VanDerWaalsContact O-O 3.11Å; D96-S102 PolarHBondContact N-OG 3.32Å; D96-S102 PolarHBondContact O-OG 3.39Å; D96-S102 VanDerWaalsContact O-OG 3.13Å; D96-K148 WeakPolarHBondContact OD2-CD 3.49Å; D96-K148 VanDerWaalsContact OD2-CE 3.27Å; D96-K148 WeakPolarHBondContact OD2-CE 3.42Å; D96-K148 IonicContact OD2-NZ 3.79Å; D96-K148 PolarHBondContact OD2-NZ 2.8Å
97L96.2Very high92.3Very high2 Ų235 Ų351%0.0117%0.174CC..THydrogen-bonded Turntrans-63.1-26.4-178.1-69.5166.9000112.4N99 T147 L149 I152 V160 L161 N177L97-N99 VanDerWaalsContact C-N 3.31Å; L97-T147 VanDerWaalsContact CB-O 3.29Å; L97-T147 WeakPolarHBondContact CB-O 3.24Å; L97-T147 WeakPolarHBondContact CD1-O 3.17Å; L97-T147 VanDerWaalsContact CG-O 3.27Å; L97-T147 WeakPolarHBondContact CG-O 3.37Å; L97-T147 PolarHBondContact N-O 3.35Å; L97-L149 HydrophobicContact CD1-CB 3.78Å; L97-L149 HydrophobicContact CD1-CD1 3.74Å; L97-L149 HydrophobicContact CD1-CG 4.36Å; L97-I152 HydrophobicContact CB-CD1 3.71Å; L97-I152 HydrophobicContact CB-CG1 3.7Å; L97-I152 HydrophobicContact CD1-CG1 4.47Å; L97-I152 WeakPolarHBondContact O-CD1 3.05Å; L97-V160 HydrophobicContact CB-CG1 3.93Å; L97-V160 HydrophobicContact CD2-CG1 3.69Å; L97-V160 HydrophobicContact CG-CG1 4.43Å; L97-V160 WeakPolarHBondContact O-CG1 3.05Å; L97-L161 HydrophobicContact CD2-CD2 4.22Å; L97-N177 HydrophobicContact CD1-CB 4.21Å; L97-N177 WeakPolarHBondContact CD2-OD1 3.31Å
98T95.7Very high92.3Very high64 Ų6435 Ų3539%0.39316%0.16SC..THydrogen-bonded Turntrans-77.4-21.217774.20000112D96 K148 Q151 I152D96-T98 VanDerWaalsContact CG-OG1 3.23Å; D96-T98 PolarHBondContact O-N 2.67Å; D96-T98 WeakPolarHBondContact OD1-CA 3.28Å; D96-T98 VanDerWaalsContact OD1-CB 3.32Å; D96-T98 WeakPolarHBondContact OD1-CB 3.44Å; D96-T98 PolarHBondContact OD1-N 2.82Å; D96-T98 PolarHBondContact OD1-OG1 3.46Å; D96-T98 PolarHBondContact OD2-OG1 3.13Å; T98-K148 HydrophobicContact CG2-CB 4.22Å; T98-Q151 HydrophobicContact CG2-CB 3.55Å; T98-Q151 HydrophobicContact CG2-CG 4.44Å; T98-I152 HydrophobicContact CG2-CD1 3.83Å
99N94.2Very high92.2Very high68 Ų6834.5 Ų34.536%0.36416%0.157SC..  trans-114.393.7-175.9-178.1-2.1000111.6D96 L97 K101 S102D96-N99 HydrophobicContact CB-CB 4.04Å; D96-N99 CarbonylContact O-C 3.45Å; D96-N99 PolarHBondContact O-N 3.34Å; D96-N99 VanDerWaalsContact O-O 3.11Å; L97-N99 VanDerWaalsContact C-N 3.31Å; N99-K101 PolarHBondContact O-N 2.79Å; N99-K101 VanDerWaalsContact O-N 3.08Å; N99-K101 VanDerWaalsContact OD1-CB 3.32Å; N99-K101 WeakPolarHBondContact OD1-CB 3.22Å; N99-K101 PolarHBondContact OD1-N 2.64Å; N99-S102 WeakPolarHBondContact O-CB 3.45Å; N99-S102 PolarHBondContact O-N 3.39Å; N99-S102 PolarHBondContact O-OG 3.16Å; N99-S102 PolarHBondContact OD1-N 2.99Å
100K92.2Very high91.8Very high111 Ų11133.2 Ų33.248%0.48315%0.15SC..Hα-helixtrans-53.7-30.4176.5-175.9173.9-180175.70113.6S102 S103 Q104K100-S102 VanDerWaalsContact C-N 3.28Å; K100-S102 PolarHBondContact O-N 3.01Å; K100-S103 PolarHBondContact O-N 3.43Å; K100-S103 PolarHBondContact O-OG 2.95Å; K100-Q104 WeakPolarHBondContact O-CG 3.11Å; K100-Q104 PolarHBondContact O-N 2.92Å
101K90.9Very high91.1Very high109 Ų10935.3 Ų35.347%0.47416%0.161SC..Hα-helixtrans-67.4-32.9179.3-17257.6174.3-178.30111.7N99 Q104 N105N99-K101 PolarHBondContact O-N 2.79Å; N99-K101 VanDerWaalsContact O-N 3.08Å; N99-K101 VanDerWaalsContact OD1-CB 3.32Å; N99-K101 WeakPolarHBondContact OD1-CB 3.22Å; N99-K101 PolarHBondContact OD1-N 2.64Å; K101-Q104 PolarHBondContact O-N 3.03Å; K101-N105 WeakPolarHBondContact O-CB 3.49Å; K101-N105 PolarHBondContact O-N 2.97Å; K101-N105 PolarHBondContact O-ND2 2.86Å; K101-N105 PolarHBondContact O-OD1 2.74Å
102S92.3Very high90.5Very high0 Ų037 Ų370%017%0.169CC..Hα-helixtrans-65.1-38.5179.572.90000112.3D96 N99 K100 N105 L106D96-S102 PolarHBondContact N-OG 3.32Å; D96-S102 PolarHBondContact O-OG 3.39Å; D96-S102 VanDerWaalsContact O-OG 3.13Å; N99-S102 WeakPolarHBondContact O-CB 3.45Å; N99-S102 PolarHBondContact O-N 3.39Å; N99-S102 PolarHBondContact O-OG 3.16Å; N99-S102 PolarHBondContact OD1-N 2.99Å; K100-S102 VanDerWaalsContact C-N 3.28Å; K100-S102 PolarHBondContact O-N 3.01Å; S102-N105 PolarHBondContact O-N 3.28Å; S102-L106 PolarHBondContact O-N 3.2Å
103S91.2Very high89.8Confident3 Ų337.1 Ų37.12%0.02117%0.17CC..Hα-helixtrans-69.1-40.9175.671.40000111.9K100 N105 L106 F166K100-S103 PolarHBondContact O-N 3.43Å; K100-S103 PolarHBondContact O-OG 2.95Å; S103-N105 PolarHBondContact O-N 3.34Å; S103-L106 VanDerWaalsContact O-CB 3.32Å; S103-L106 WeakPolarHBondContact O-CB 3.31Å; S103-L106 PolarHBondContact O-N 3.48Å; S103-L106 VanDerWaalsContact O-N 3.12Å; S103-F166 WeakPolarHBondContact O-CE1 3.27Å
104Q88.3Confident88.9Confident93 Ų9338.1 Ų38.144%0.43518%0.175SC..Hα-helixtrans-60.6-32.2174.2-68176.3-14.200112.5K100 K101 L106K100-Q104 WeakPolarHBondContact O-CG 3.11Å; K100-Q104 PolarHBondContact O-N 2.92Å; K101-Q104 PolarHBondContact O-N 3.03Å; Q104-L106 VanDerWaalsContact C-N 3.28Å; Q104-L106 PolarHBondContact O-N 3.33Å
105N89.1Confident87.7Confident9 Ų940.7 Ų40.75%0.04819%0.189CC..Hα-helixtrans-75.5-16.4-179.9-69.6-10.2000113.1D14 V71 K101 S102 S103 R107 R108 W109D14-N105 PolarHBondContact OD2-ND2 3.02Å; V71-N105 HydrophobicContact CG2-CB 4Å; K101-N105 WeakPolarHBondContact O-CB 3.49Å; K101-N105 PolarHBondContact O-N 2.97Å; K101-N105 PolarHBondContact O-ND2 2.86Å; K101-N105 PolarHBondContact O-OD1 2.74Å; S102-N105 PolarHBondContact O-N 3.28Å; S103-N105 PolarHBondContact O-N 3.34Å; N105-R107 PolarHBondContact O-N 3.01Å; N105-R108 PolarHBondContact ND2-NH2 3.33Å; N105-R108 WeakPolarHBondContact O-CA 3.44Å; N105-R108 WeakPolarHBondContact O-CB 3.41Å; N105-R108 PolarHBondContact O-N 3.42Å; N105-R108 PolarHBondContact OD1-NH2 3.33Å; N105-W109 PolarHBondContact O-N 3.26Å
106L88.3Confident85.9Confident0 Ų045.7 Ų45.70%021%0.207CC..Hα-helixtrans-58.7-30.4174.6-64.1-176.3000112.2F93 H95 S102 S103 Q104 R108 W109 S110 V144 F166 L167F93-L106 HydrophobicContact CB-CD1 3.99Å; F93-L106 HydrophobicContact CB-CD2 3.87Å; F93-L106 HydrophobicContact CB-CG 4.39Å; F93-L106 HydrophobicContact CD1-CD2 4.22Å; F93-L106 HydrophobicContact CG-CD2 4.41Å; H95-L106 HydrophobicContact CB-CD1 3.97Å; H95-L106 HydrophobicContact CB-CD2 4.41Å; H95-L106 HydrophobicContact CB-CG 4.23Å; S102-L106 PolarHBondContact O-N 3.2Å; S103-L106 VanDerWaalsContact O-CB 3.32Å; S103-L106 WeakPolarHBondContact O-CB 3.31Å; S103-L106 PolarHBondContact O-N 3.48Å; S103-L106 VanDerWaalsContact O-N 3.12Å; Q104-L106 VanDerWaalsContact C-N 3.28Å; Q104-L106 PolarHBondContact O-N 3.33Å; L106-R108 VanDerWaalsContact C-N 3.28Å; L106-R108 PolarHBondContact O-N 3.19Å; L106-W109 PolarHBondContact O-N 3.45Å; L106-S110 PolarHBondContact O-N 3.19Å; L106-S110 PolarHBondContact O-OG 3.06Å; L106-V144 HydrophobicContact CD1-CG1 4.18Å; L106-F166 HydrophobicContact CB-CZ 3.93Å; L106-L167 HydrophobicContact CB-CD1 4.14Å; L106-L167 HydrophobicContact CD1-CD1 3.99Å
107R84.1Confident83.5Confident127 Ų12751 Ų5148%0.47924%0.236SC..Hα-helixtrans-60.8-38.1172.5-167.3176.9179.7-152-1.6112.4N105 S110 L111 F166N105-R107 PolarHBondContact O-N 3.01Å; R107-S110 PolarHBondContact O-OG 3.03Å; R107-L111 WeakPolarHBondContact O-CB 3.12Å; R107-L111 VanDerWaalsContact O-CG 3.26Å; R107-L111 WeakPolarHBondContact O-CG 3.25Å; R107-L111 PolarHBondContact O-N 2.88Å; R107-L111 VanDerWaalsContact O-N 3.14Å; R107-F166 HydrophobicContact CB-CD2 4.06Å; R107-F166 HydrophobicContact CB-CE2 3.38Å; R107-F166 HydrophobicContact CB-CZ 3.78Å; R107-F166 HydrophobicContact CG-CD2 4.18Å; R107-F166 HydrophobicContact CG-CE2 3.9Å; R107-F166 VanDerWaalsContact N-CZ 3.33Å
108R84.1Confident80.9Confident96 Ų9657 Ų5736%0.36227%0.267SS..Hα-helixtrans-74.2-38.7178.4-66.1-169.8-76.9151.8-10.8110.9V71 N105 L106 E112V71-R108 HydrophobicContact CB-CB 4.32Å; V71-R108 HydrophobicContact CG1-CB 4.06Å; V71-R108 PolarHBondContact O-NH1 3.33Å; N105-R108 PolarHBondContact ND2-NH2 3.33Å; N105-R108 WeakPolarHBondContact O-CA 3.44Å; N105-R108 WeakPolarHBondContact O-CB 3.41Å; N105-R108 PolarHBondContact O-N 3.42Å; N105-R108 PolarHBondContact OD1-NH2 3.33Å; L106-R108 VanDerWaalsContact C-N 3.28Å; L106-R108 PolarHBondContact O-N 3.19Å; R108-E112 WeakPolarHBondContact O-CB 3.47Å; R108-E112 PolarHBondContact O-N 3.18Å
109W87.6Confident78.2Confident0 Ų059.1 Ų59.10%028%0.28CS..Hα-helixtrans-62.9-40.9173.5-76.9111.1000112.4L12 G13 D14 V71 Y85 F93 N105 L106 E112 A113L12-W109 HydrophobicContact CB-CB 4.42Å; L12-W109 HydrophobicContact CB-CD2 4.31Å; L12-W109 HydrophobicContact CB-CE3 4.07Å; L12-W109 HydrophobicContact CB-CG 4.5Å; L12-W109 HydrophobicContact CD1-CE3 4.48Å; L12-W109 HydrophobicContact CD2-CE3 4.25Å; L12-W109 HydrophobicContact CD2-CZ3 4.26Å; L12-W109 HydrophobicContact CG-CE3 4.5Å; G13-W109 VanDerWaalsContact C-NE1 3.26Å; G13-W109 WeakPolarHBondContact O-CZ2 3.36Å; D14-W109 PolarHBondContact OD1-NE1 3.4Å; V71-W109 HydrophobicContact CG1-CD2 3.62Å; V71-W109 HydrophobicContact CG1-CE3 4.36Å; V71-W109 HydrophobicContact CG1-CG 3.75Å; V71-W109 HydrophobicContact CG1-CZ2 3.91Å; V71-W109 VanDerWaalsContact CG1-NE1 3.26Å; Y85-W109 WeakPolarHBondContact OH-CZ3 3.35Å; F93-W109 HydrophobicContact CD1-CB 4.21Å; F93-W109 HydrophobicContact CE1-CB 3.95Å; N105-W109 PolarHBondContact O-N 3.26Å; L106-W109 PolarHBondContact O-N 3.45Å; W109-E112 PolarHBondContact O-N 3.36Å; W109-A113 WeakPolarHBondContact O-CB 3.2Å; W109-A113 PolarHBondContact O-N 3.48Å
110S83.5Confident75.7Confident1 Ų160.6 Ų60.61%0.00729%0.293CS..Hα-helixtrans-66.5-47.3178.166.90000111.7F93 L106 R107 E112 A113 L114F93-S110 VanDerWaalsContact CZ-CB 3.48Å; L106-S110 PolarHBondContact O-N 3.19Å; L106-S110 PolarHBondContact O-OG 3.06Å; R107-S110 PolarHBondContact O-OG 3.03Å; S110-E112 VanDerWaalsContact C-N 3.27Å; S110-E112 PolarHBondContact O-N 3.33Å; S110-A113 PolarHBondContact O-N 3.19Å; S110-L114 WeakPolarHBondContact O-CB 3.23Å; S110-L114 VanDerWaalsContact O-CG 3.31Å; S110-L114 WeakPolarHBondContact O-CG 3.47Å; S110-L114 PolarHBondContact O-N 2.99Å
111L80Confident73Confident43 Ų4360.3 Ų60.323%0.22530%0.301CS..Hα-helixtrans-55.8-43.9173.8-74.8172.7000111.6R107 N115 Y130 F135R107-L111 WeakPolarHBondContact O-CB 3.12Å; R107-L111 VanDerWaalsContact O-CG 3.26Å; R107-L111 WeakPolarHBondContact O-CG 3.25Å; R107-L111 PolarHBondContact O-N 2.88Å; R107-L111 VanDerWaalsContact O-N 3.14Å; L111-N115 WeakPolarHBondContact O-CB 3.4Å; L111-N115 PolarHBondContact O-N 2.86Å; L111-Y130 HydrophobicContact CD2-CD2 3.98Å; L111-Y130 HydrophobicContact CD2-CE2 4.49Å; L111-F135 HydrophobicContact CD2-CZ 4.22Å
112E82.5Confident70.5Confident38 Ų3858.7 Ų58.718%0.17832%0.315CS..Hα-helixtrans-67.5-37.7-178.8-160.1-171.7108.200113.6R81 Y85 R108 W109 S110R81-E112 IonicContact CZ-OE1 2.64Å; R81-E112 IonicContact CZ-OE2 2.63Å; R81-E112 IonicContact NE-OE1 3.77Å; R81-E112 PolarHBondContact NE-OE1 3.48Å; R81-E112 IonicContact NH2-OE1 2.89Å; R81-E112 PolarHBondContact NH2-OE1 3.45Å; R81-E112 IonicContact NH2-OE2 2.74Å; R81-E112 PolarHBondContact NH2-OE2 3.44Å; Y85-E112 HydrophobicContact CE2-CB 4.47Å; Y85-E112 HydrophobicContact CE2-CG 3.89Å; Y85-E112 VanDerWaalsContact CE2-OE1 3.31Å; Y85-E112 WeakPolarHBondContact CE2-OE1 3.43Å; Y85-E112 PolarHBondContact OH-OE1 3.47Å; R108-E112 WeakPolarHBondContact O-CB 3.47Å; R108-E112 PolarHBondContact O-N 3.18Å; W109-E112 PolarHBondContact O-N 3.36Å; S110-E112 VanDerWaalsContact C-N 3.27Å; S110-E112 PolarHBondContact O-N 3.33Å
113A81.9Confident67.7Low2 Ų264.1 Ų64.12%0.01735%0.348CS..Hα-helixtrans-80.5-28-178.200000113.5L12 I91 W109 S110L12-A113 HydrophobicContact CD1-CB 3.55Å; I91-A113 HydrophobicContact CD1-CB 3.99Å; W109-A113 WeakPolarHBondContact O-CB 3.2Å; W109-A113 PolarHBondContact O-N 3.48Å; S110-A113 PolarHBondContact O-N 3.19Å
114L77.4Confident65.2Low22 Ų2270.9 Ų70.912%0.11538%0.383CS..Hα-helixtrans-105.2-29.5-170.9-62.1172.5000113.3I91 S110 R116 F135 I140 F171I91-L114 HydrophobicContact CD1-CD2 3.75Å; I91-L114 HydrophobicContact CD1-CG 4.26Å; S110-L114 WeakPolarHBondContact O-CB 3.23Å; S110-L114 VanDerWaalsContact O-CG 3.31Å; S110-L114 WeakPolarHBondContact O-CG 3.47Å; S110-L114 PolarHBondContact O-N 2.99Å; L114-R116 PolarHBondContact O-N 2.87Å; L114-R116 VanDerWaalsContact O-N 3.08Å; L114-F135 HydrophobicContact CB-CD1 4.15Å; L114-F135 HydrophobicContact CB-CE1 3.42Å; L114-F135 VanDerWaalsContact CB-CE1 3.42Å; L114-F135 HydrophobicContact CB-CZ 4.24Å; L114-F135 HydrophobicContact CD1-CD1 3.92Å; L114-F135 HydrophobicContact CD1-CE1 3.54Å; L114-F135 HydrophobicContact CG-CE1 4.09Å; L114-I140 HydrophobicContact CD2-CD1 3.98Å; L114-F171 HydrophobicContact CD1-CZ 4.39Å
115N70.8Confident63Low54 Ų5471.7 Ų71.729%0.28939%0.394SS..  trans-86.179.2179.6-162.2-12.9000110.9L111L111-N115 WeakPolarHBondContact O-CB 3.4Å; L111-N115 PolarHBondContact O-N 2.86Å
116R56.8Low60.5Low108 Ų10876.5 Ų76.541%0.40842%0.424SS..THydrogen-bonded Turntrans-78.6-13.8-169.8-67.3-176.3179-155.4-5.8115.4Y85 L114Y85-R116 PolarHBondContact O-NH2 2.91Å; L114-R116 PolarHBondContact O-N 2.87Å; L114-R116 VanDerWaalsContact O-N 3.08Å
117D45.8Very low58.3Low122 Ų12284.1 Ų84.165%0.65247%0.465SS*.THydrogen-bonded Turntrans-95.11.3-167.9-71.3-27.7000115.1V119D117-V119 PolarHBondContact O-N 2.91Å
118L43.3Very low56.3Low127 Ų12780.4 Ų80.467%0.66547%0.466SS*.  trans-92.693.1170.6-61178.7000109.5
119V39Very low54.5Low109 Ų10983.2 Ų83.266%0.66149%0.488SS*.  trans-38138.3154-1760000108D117 T121D117-V119 PolarHBondContact O-N 2.91Å; V119-T121 PolarHBondContact O-N 2.8Å; V119-T121 PolarHBondContact O-OG1 2.9Å
120P40.8Very low52.6Low98 Ų9885.4 Ų85.464%0.63650%0.497SS*.  trans-7258.8179.930.8-34.6000111.2S79S79-P120 VanDerWaalsContact OG-CB 3.26Å; S79-P120 WeakPolarHBondContact OG-CB 3.28Å
121T35.7Very low51Low105 Ų10588.9 Ų88.964%0.64452%0.516SS*.  trans-69.9124.2157.3-20.40000104.4V119 V123V119-T121 PolarHBondContact O-N 2.8Å; V119-T121 PolarHBondContact O-OG1 2.9Å; T121-V123 PolarHBondContact O-N 3.43Å
122G37.6Very low49.6Very low75 Ų7595.1 Ų95.177%0.77354%0.536SS*.  trans-63.943.6-171.700000116.3
123V34.3Very low48Very low115 Ų115100.9 Ų100.970%0.69756%0.563SS**  trans-84.3114.6172.9-175.20000107.1T121 V125T121-V123 PolarHBondContact O-N 3.43Å; V123-V125 PolarHBondContact O-N 3Å
124L38.4Very low46.3Very low144 Ų144105.2 Ų105.275%0.75458%0.583SS**  trans-48123.7166.1-71.4157.5000108.1T126L124-T126 HydrophobicContact CB-CG2 4.2Å; L124-T126 PolarHBondContact O-N 3.27Å
125V42.2Very low45Very low111 Ų111105.5 Ų105.567%0.67358%0.583SS**  trans-67.780.7166.7-176.60000106.9V123 N127V123-V125 PolarHBondContact O-N 3Å; V125-N127 PolarHBondContact O-N 2.77Å
126T36.7Very low44Very low109 Ų109105.9 Ų105.967%0.66959%0.594SS**  trans-78.4102.216549.60000106.2L124 G128L124-T126 HydrophobicContact CB-CG2 4.2Å; L124-T126 PolarHBondContact O-N 3.27Å; T126-G128 PolarHBondContact O-N 3.31Å
127N42.4Very low43.7Very low161 Ų161108 Ų10886%0.86161%0.613SS**SBendtrans40.439.9167.3-59.7-20.4000114.5V125 D129V125-N127 PolarHBondContact O-N 2.77Å; N127-D129 PolarHBondContact O-N 2.81Å
128G41.4Very low44.1Very low49 Ų49106.4 Ų106.451%0.50561%0.605SS.*  trans-66.7127-176.200000108.8T126 Y130T126-G128 PolarHBondContact O-N 3.31Å; G128-Y130 PolarHBondContact O-N 2.99Å
129D46.1Very low45.5Very low154 Ų154106.3 Ų106.382%0.82460%0.601SS**  trans-49.9128.4-172.7-69.1-57.3000111.3N127 D131N127-D129 PolarHBondContact O-N 2.81Å; D129-D131 PolarHBondContact O-N 3.48Å
130Y47.5Very low47.8Very low46 Ų46102.2 Ų102.218%0.1858%0.575CS.*  trans-65.997.2174.6179-96.9000107.8L111 G128 R132 F135 D170 F171L111-Y130 HydrophobicContact CD2-CD2 3.98Å; L111-Y130 HydrophobicContact CD2-CE2 4.49Å; G128-Y130 PolarHBondContact O-N 2.99Å; Y130-R132 VanDerWaalsContact C-N 3.34Å; Y130-R132 HydrophobicContact CD1-CB 4.44Å; Y130-R132 HydrophobicContact CE1-CB 4.39Å; Y130-R132 PolarHBondContact O-N 3.32Å; Y130-F135 HydrophobicContact CD2-CE2 4.17Å; Y130-F135 HydrophobicContact CE2-CD2 4.37Å; Y130-F135 AromaticContact CE2-CE2 3.91Å; Y130-F135 HydrophobicContact CE2-CE2 3.91Å; Y130-F135 HydrophobicContact CE2-CZ 4.12Å; Y130-D170 HydrophobicContact CE1-CB 4.43Å; Y130-D170 WeakPolarHBondContact OH-CB 3.36Å; Y130-D170 VanDerWaalsContact OH-CG 3.28Å; Y130-D170 PolarHBondContact OH-OD2 3.32Å; Y130-F171 HydrophobicContact CE2-CZ 4.44Å; Y130-F171 WeakPolarHBondContact OH-CE2 3.31Å; Y130-F171 WeakPolarHBondContact OH-CZ 3.41Å
131D50.7Low50.2Low75 Ų7597.8 Ų97.840%0.40155%0.546SS..  trans-79.284.8-176.3-168-2.9000111.1D129 E133 Q134 F135D129-D131 PolarHBondContact O-N 3.48Å; D131-E133 PolarHBondContact O-N 2.92Å; D131-E133 PolarHBondContact OD1-N 2.94Å; D131-Q134 PolarHBondContact O-N 3.27Å; D131-F135 WeakPolarHBondContact O-CD2 3.32Å
132R50Low52.9Low173 Ų17393.8 Ų93.865%0.65352%0.521SS*.Hα-helixtrans-51.9-26.6-179-166.1-179.1-172.3-1693.9113.2Y130 A136Y130-R132 VanDerWaalsContact C-N 3.34Å; Y130-R132 HydrophobicContact CD1-CB 4.44Å; Y130-R132 HydrophobicContact CE1-CB 4.39Å; Y130-R132 PolarHBondContact O-N 3.32Å; R132-A136 PolarHBondContact O-N 3.48Å
133E49.4Very low55.6Low159 Ų15990.2 Ų90.274%0.74348%0.484SS*.Hα-helixtrans-76.5-37.2-177-60.8-164.9168.700112.2D131 F135 A136D131-E133 PolarHBondContact O-N 2.92Å; D131-E133 PolarHBondContact OD1-N 2.94Å; E133-F135 PolarHBondContact O-N 3.07Å; E133-A136 WeakPolarHBondContact O-CB 3.44Å; E133-A136 PolarHBondContact O-N 3.33Å
134Q46.9Very low58.6Low94 Ų9484.8 Ų84.844%0.43945%0.451SS..Hα-helixtrans-66.1-26.9173-73.6-171.6-7.900113.1D131D131-Q134 PolarHBondContact O-N 3.27Å
135F49.7Very low61.4Low28 Ų2878 Ų7812%0.12342%0.415CS..Hα-helixtrans-77.2-25.9175-69.7-83000113.2L111 L114 Y130 D131 E133 D137 N138 F171L111-F135 HydrophobicContact CD2-CZ 4.22Å; L114-F135 HydrophobicContact CB-CD1 4.15Å; L114-F135 HydrophobicContact CB-CE1 3.42Å; L114-F135 VanDerWaalsContact CB-CE1 3.42Å; L114-F135 HydrophobicContact CB-CZ 4.24Å; L114-F135 HydrophobicContact CD1-CD1 3.92Å; L114-F135 HydrophobicContact CD1-CE1 3.54Å; L114-F135 HydrophobicContact CG-CE1 4.09Å; Y130-F135 HydrophobicContact CD2-CE2 4.17Å; Y130-F135 HydrophobicContact CE2-CD2 4.37Å; Y130-F135 AromaticContact CE2-CE2 3.91Å; Y130-F135 HydrophobicContact CE2-CE2 3.91Å; Y130-F135 HydrophobicContact CE2-CZ 4.12Å; D131-F135 WeakPolarHBondContact O-CD2 3.32Å; E133-F135 PolarHBondContact O-N 3.07Å; F135-D137 VanDerWaalsContact C-N 3.34Å; F135-D137 PolarHBondContact O-N 3.39Å; F135-N138 PolarHBondContact O-N 2.83Å; F135-F171 HydrophobicContact CB-CE1 4.17Å; F135-F171 AromaticContact CD1-CE1 3.7Å; F135-F171 HydrophobicContact CD1-CE1 3.7Å; F135-F171 AromaticContact CD1-CZ 3.64Å; F135-F171 HydrophobicContact CD1-CZ 3.64Å; F135-F171 HydrophobicContact CE1-CE1 4.42Å; F135-F171 AromaticContact CE1-CZ 3.95Å; F135-F171 HydrophobicContact CE1-CZ 3.95Å; F135-F171 HydrophobicContact CG-CE1 4.15Å; F135-F171 HydrophobicContact CG-CZ 4.15Å
136A48.6Very low64Low61 Ų6172.7 Ų72.750%0.50438%0.383SS..Hα-helixtrans-68-33.9-17700000112.5R132 E133R132-A136 PolarHBondContact O-N 3.48Å; E133-A136 WeakPolarHBondContact O-CB 3.44Å; E133-A136 PolarHBondContact O-N 3.33Å
137D50.7Low66.9Low152 Ų15267.6 Ų67.681%0.81335%0.352SS*.Hα-helixtrans-83.2-23.4-179.3-77.5-18.4000113.3F135F135-D137 VanDerWaalsContact C-N 3.34Å; F135-D137 PolarHBondContact O-N 3.39Å
138N54.4Low69.5Low90 Ų9062.5 Ų62.548%0.48132%0.322SS..  trans-106.676.4-175.6-131.10.9000111.4F135 I140F135-N138 PolarHBondContact O-N 2.83Å; N138-I140 PolarHBondContact O-N 3.38Å
139Q72.8Confident72.1Confident124 Ų12460.8 Ų60.858%0.57930%0.301SS*.  trans-77.555.8-177.6-61.9-171.20.400113.6P141 K206Q139-P141 VanDerWaalsContact O-CD 3.27Å; Q139-P141 WeakPolarHBondContact O-CD 3.46Å; Q139-K206 HydrophobicContact CB-CD 4.5Å
140I86.8Confident74.4Confident24 Ų2457.3 Ų57.312%0.12328%0.283CS..  trans-63.7120.9169.3-62.2178.7000107.6V88 I91 L114 N138 L142V88-I140 HydrophobicContact CG1-CG2 4.4Å; I91-I140 HydrophobicContact CD1-CG2 4.28Å; I91-I140 HydrophobicContact CG1-CG2 4Å; L114-I140 HydrophobicContact CD2-CD1 3.98Å; N138-I140 PolarHBondContact O-N 3.38Å; I140-L142 HydrophobicContact CG2-CD2 4.47Å; I140-L142 WeakPolarHBondContact O-CG 3.49Å; I140-L142 PolarHBondContact O-N 3.21Å
141P91.9Very high76.7Confident5 Ų560.8 Ų60.83%0.03230%0.301CS..  trans-59135.4176.3-2738.6000111.7N89 G90 I91 Q139 F199 K202 V203 K206N89-P141 VanDerWaalsContact O-CD 3.28Å; N89-P141 WeakPolarHBondContact O-CD 3.42Å; G90-P141 WeakPolarHBondContact CA-O 3.29Å; I91-P141 PolarHBondContact N-O 2.92Å; Q139-P141 VanDerWaalsContact O-CD 3.27Å; Q139-P141 WeakPolarHBondContact O-CD 3.46Å; P141-F199 HydrophobicContact CB-CD2 4.29Å; P141-F199 HydrophobicContact CB-CE2 4.02Å; P141-F199 WeakPolarHBondContact O-CE2 3.36Å; P141-K202 HydrophobicContact CB-CD 4.16Å; P141-K202 HydrophobicContact CB-CG 4.17Å; P141-K202 HydrophobicContact CG-CD 4.31Å; P141-K202 HydrophobicContact CG-CG 3.88Å; P141-V203 HydrophobicContact CB-CG2 3.79Å; P141-V203 HydrophobicContact CG-CG2 3.97Å; P141-K206 HydrophobicContact CG-CB 4.36Å; P141-K206 HydrophobicContact CG-CG 3.91Å
142L92.4Very high78.9Confident20 Ų2058 Ų5811%0.10529%0.286CS..EExtended strand (participates in β ladder)trans-117.9140.1-178.9-52.4-177.7000110.5I91 F93 I140 F171 P173I91-L142 HydrophobicContact CB-CD2 3.8Å; I91-L142 HydrophobicContact CD1-CD2 4.17Å; I91-L142 HydrophobicContact CG1-CD2 4.29Å; I91-L142 WeakPolarHBondContact O-CA 3.49Å; F93-L142 HydrophobicContact CE2-CD1 4.26Å; F93-L142 HydrophobicContact CE2-CD2 4.06Å; I140-L142 HydrophobicContact CG2-CD2 4.47Å; I140-L142 WeakPolarHBondContact O-CG 3.49Å; I140-L142 PolarHBondContact O-N 3.21Å; L142-F171 HydrophobicContact CD1-CB 3.78Å; L142-F171 HydrophobicContact CD1-CD1 3.67Å; L142-F171 HydrophobicContact CD1-CD2 4.14Å; L142-F171 HydrophobicContact CD1-CE1 4.26Å; L142-F171 HydrophobicContact CD1-CG 3.59Å; L142-P173 HydrophobicContact CB-CB 4.14Å
143L95Very high80.9Confident0 Ų055.9 Ų55.90%028%0.283CS..EExtended strand (participates in β ladder)trans-130.8135.4172.4173.765.3000108.7I91 I92 F93 I145 E174 I176 L196 F199I91-L143 PolarHBondContact O-N 2.97Å; I92-L143 CarbonylContact C-O 3.56Å; I92-L143 VanDerWaalsContact CA-O 3.32Å; I92-L143 WeakPolarHBondContact CA-O 3.36Å; I92-L143 HydrophobicContact CD1-CD2 4.28Å; I92-L143 HydrophobicContact CG1-CB 4.3Å; I92-L143 HydrophobicContact CG1-CD2 4.18Å; F93-L143 PolarHBondContact N-O 2.85Å; L143-I145 HydrophobicContact CD2-CD1 3.9Å; L143-I145 HydrophobicContact CD2-CG1 4.19Å; L143-I145 HydrophobicContact CG-CD1 4.3Å; L143-I145 HydrophobicContact CG-CG1 4.02Å; L143-E174 HydrophobicContact CD1-CB 3.9Å; L143-E174 WeakPolarHBondContact CD1-O 3.38Å; L143-I176 HydrophobicContact CD1-CD1 4.02Å; L143-I176 HydrophobicContact CD1-CG1 4.18Å; L143-I176 HydrophobicContact CD2-CD1 4.37Å; L143-L196 HydrophobicContact CD2-CD1 3.94Å; L143-F199 HydrophobicContact CB-CD1 4.25Å; L143-F199 HydrophobicContact CB-CD2 3.55Å; L143-F199 HydrophobicContact CB-CE1 4.32Å; L143-F199 HydrophobicContact CB-CE2 3.62Å; L143-F199 HydrophobicContact CB-CG 3.86Å; L143-F199 HydrophobicContact CB-CZ 4.02Å; L143-F199 HydrophobicContact CD2-CB 4.23Å; L143-F199 HydrophobicContact CD2-CD1 3.8Å; L143-F199 HydrophobicContact CD2-CD2 4.46Å; L143-F199 HydrophobicContact CD2-CE1 4.27Å; L143-F199 HydrophobicContact CD2-CG 3.9Å; L143-F199 HydrophobicContact CG-CG 4.41Å
144V95.6Very high82.9Confident1 Ų154.3 Ų54.31%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-107129.9174.1-177.80000109.3F93 L106 T164 L167 P173 E174 E175 I176F93-V144 HydrophobicContact CB-CG2 4.38Å; F93-V144 CarbonylContact O-C 3.59Å; F93-V144 WeakPolarHBondContact O-CA 3.42Å; L106-V144 HydrophobicContact CD1-CG1 4.18Å; V144-T164 HydrophobicContact CG1-CG2 3.8Å; V144-L167 HydrophobicContact CG2-CD1 3.57Å; V144-P173 HydrophobicContact CG2-CB 3.92Å; V144-P173 HydrophobicContact CG2-CG 3.58Å; V144-E174 PolarHBondContact N-O 3.14Å; V144-E175 HydrophobicContact CB-CG 4.33Å; V144-E175 HydrophobicContact CG1-CG 4.42Å; V144-E175 WeakPolarHBondContact O-CA 3.48Å; V144-I176 PolarHBondContact O-N 2.93Å
145I97.3Very high85.1Confident2 Ų255.4 Ų55.41%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-121.6115.3177.5-59.6-170.5000110.4L22 I92 F93 V94 H95 L143 T147 I176 L178L22-I145 HydrophobicContact CD1-CD1 4.11Å; L22-I145 HydrophobicContact CD1-CG2 4.24Å; L22-I145 HydrophobicContact CD2-CB 4.23Å; L22-I145 HydrophobicContact CD2-CD1 3.9Å; L22-I145 HydrophobicContact CD2-CG2 4.01Å; I92-I145 HydrophobicContact CG2-CB 4.41Å; I92-I145 HydrophobicContact CG2-CD1 3.76Å; I92-I145 HydrophobicContact CG2-CG1 3.88Å; F93-I145 PolarHBondContact O-N 3.12Å; V94-I145 WeakPolarHBondContact CA-O 3.47Å; H95-I145 PolarHBondContact N-O 3.38Å; L143-I145 HydrophobicContact CD2-CD1 3.9Å; L143-I145 HydrophobicContact CD2-CG1 4.19Å; L143-I145 HydrophobicContact CG-CD1 4.3Å; L143-I145 HydrophobicContact CG-CG1 4.02Å; I145-T147 HydrophobicContact CG2-CG2 4.29Å; I145-I176 CarbonylContact C-O 3.56Å; I145-I176 VanDerWaalsContact CA-O 3.23Å; I145-I176 WeakPolarHBondContact CA-O 3.26Å; I145-I176 HydrophobicContact CG1-CB 4.27Å; I145-L178 HydrophobicContact CG2-CD2 4.29Å; I145-L178 HydrophobicContact CG2-CG 4.14Å
146G97Very high87.1Confident0 Ų060 Ų600%031%0.309CS..EExtended strand (participates in β ladder)trans-89.5120.6168.700000110.9H95 I176 N177 L178H95-G146 WeakPolarHBondContact O-CA 3.49Å; G146-I176 PolarHBondContact N-O 3.29Å; G146-N177 WeakPolarHBondContact CA-OD1 2.91Å; G146-N177 WeakPolarHBondContact O-CA 3Å; G146-L178 PolarHBondContact O-N 3.33Å
147T97.4Very high89Confident1 Ų160.2 Ų60.21%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-99.7169.9179.966.80000111.9V17 V94 H95 L97 I145 L149 L178V17-T147 WeakPolarHBondContact O-CB 3.3Å; V17-T147 WeakPolarHBondContact O-CG2 3.28Å; V17-T147 PolarHBondContact O-OG1 2.99Å; V94-T147 HydrophobicContact CG1-CG2 3.55Å; H95-T147 PolarHBondContact O-N 2.78Å; H95-T147 PolarHBondContact O-OG1 3.32Å; L97-T147 VanDerWaalsContact CB-O 3.29Å; L97-T147 WeakPolarHBondContact CB-O 3.24Å; L97-T147 WeakPolarHBondContact CD1-O 3.17Å; L97-T147 VanDerWaalsContact CG-O 3.27Å; L97-T147 WeakPolarHBondContact CG-O 3.37Å; L97-T147 PolarHBondContact N-O 3.35Å; I145-T147 HydrophobicContact CG2-CG2 4.29Å; T147-L149 VanDerWaalsContact C-N 3.29Å; T147-L149 PolarHBondContact O-N 3.19Å; T147-L178 CarbonylContact C-O 3.48Å; T147-L178 WeakPolarHBondContact CA-O 3.21Å
148K96.9Very high90.7Very high55 Ų5560.5 Ų60.524%0.23929%0.292CS..  trans61.735.2178.6-49.3-171.9-166.1167.60113G16 D96 T98 D150 Q151 L178G16-K148 PolarHBondContact O-NZ 2.67Å; G16-K148 VanDerWaalsContact O-NZ 3.08Å; D96-K148 WeakPolarHBondContact OD2-CD 3.49Å; D96-K148 VanDerWaalsContact OD2-CE 3.27Å; D96-K148 WeakPolarHBondContact OD2-CE 3.42Å; D96-K148 IonicContact OD2-NZ 3.79Å; D96-K148 PolarHBondContact OD2-NZ 2.8Å; T98-K148 HydrophobicContact CG2-CB 4.22Å; K148-D150 VanDerWaalsContact CA-OD1 3.25Å; K148-D150 WeakPolarHBondContact CA-OD1 3.44Å; K148-D150 PolarHBondContact O-N 3.33Å; K148-Q151 HydrophobicContact CB-CG 4.25Å; K148-Q151 PolarHBondContact O-N 3.01Å; K148-L178 PolarHBondContact N-O 2.95Å
149L96.2Very high92.3Very high13 Ų1361.1 Ų61.17%0.06829%0.292CS..G310 helixtrans-60-30179-178.863.3000112.5L97 T147 Q151 I152 N177 L178 Y185L97-L149 HydrophobicContact CD1-CB 3.78Å; L97-L149 HydrophobicContact CD1-CD1 3.74Å; L97-L149 HydrophobicContact CD1-CG 4.36Å; T147-L149 VanDerWaalsContact C-N 3.29Å; T147-L149 PolarHBondContact O-N 3.19Å; L149-Q151 PolarHBondContact O-N 3.21Å; L149-I152 PolarHBondContact O-N 3.16Å; L149-N177 HydrophobicContact CD1-CB 4.39Å; L149-N177 HydrophobicContact CD2-CB 4.16Å; L149-L178 WeakPolarHBondContact CB-O 3.17Å; L149-L178 PolarHBondContact N-O 3.08Å; L149-Y185 HydrophobicContact CD2-CE1 3.79Å
150D95.5Very high93.1Very high81 Ų8155.6 Ų55.643%0.43327%0.267SS..G310 helixtrans-57.9-27.1174.160-63000113.2K148 D179K148-D150 VanDerWaalsContact CA-OD1 3.25Å; K148-D150 WeakPolarHBondContact CA-OD1 3.44Å; K148-D150 PolarHBondContact O-N 3.33Å; D150-D179 HydrophobicContact CB-CB 4.08Å
151Q96.4Very high93Very high118 Ų11857.2 Ų57.255%0.55128%0.276SS*.G310 helixtrans-89.3-4.4-178.5-54.4-172.91600113T98 K148 L149T98-Q151 HydrophobicContact CG2-CB 3.55Å; T98-Q151 HydrophobicContact CG2-CG 4.44Å; K148-Q151 HydrophobicContact CB-CG 4.25Å; K148-Q151 PolarHBondContact O-N 3.01Å; L149-Q151 PolarHBondContact O-N 3.21Å
152I95.4Very high92.5Very high18 Ų1860.8 Ų60.89%0.09230%0.298CS..SBendtrans-90.7117.2-179.5-53-57.7000109.9L97 T98 L149 R157 V160L97-I152 HydrophobicContact CB-CD1 3.71Å; L97-I152 HydrophobicContact CB-CG1 3.7Å; L97-I152 HydrophobicContact CD1-CG1 4.47Å; L97-I152 WeakPolarHBondContact O-CD1 3.05Å; T98-I152 HydrophobicContact CG2-CD1 3.83Å; L149-I152 PolarHBondContact O-N 3.16Å; I152-R157 HydrophobicContact CG2-CB 4.31Å; I152-R157 HydrophobicContact CG2-CG 4.44Å; I152-V160 HydrophobicContact CD1-CG1 4.32Å; I152-V160 HydrophobicContact CG2-CB 4.35Å; I152-V160 HydrophobicContact CG2-CG2 4.09Å
153H93.6Very high92Very high127 Ų12762.7 Ų62.759%0.58830%0.303SS*.  trans-63.1138174-165.8-92.5000111.2T155 K156 R157H153-T155 PolarHBondContact ND1-N 3.46Å; H153-T155 PolarHBondContact ND1-OG1 3.32Å; H153-T155 PolarHBondContact O-N 3.29Å; H153-T155 VanDerWaalsContact O-N 3.11Å; H153-K156 PolarHBondContact O-N 2.69Å; H153-R157 PolarHBondContact O-N 3.03Å
154E91.1Very high90.9Very high127 Ų12763.1 Ų63.159%0.59331%0.306SS*.Hα-helixtrans-51.2-42.4-173.6-161.666.4-127.100112.7K156 R157E154-K156 PolarHBondContact O-N 3.37Å; E154-R157 VanDerWaalsContact O-CB 3.31Å; E154-R157 WeakPolarHBondContact O-CB 3.33Å; E154-R157 PolarHBondContact O-N 3.15Å; E154-R157 VanDerWaalsContact O-N 3.14Å; E154-R157 IonicContact OE1-CZ 2.7Å; E154-R157 IonicContact OE1-NH1 3.81Å; E154-R157 PolarHBondContact OE1-NH1 2.7Å; E154-R157 IonicContact OE2-CZ 2.79Å; E154-R157 IonicContact OE2-NH1 2.84Å; E154-R157 PolarHBondContact OE2-NH1 3.27Å
155T93Very high89.7Confident116 Ų11665.3 Ų65.371%0.71232%0.324SS*.Hα-helixtrans-63.5-24.4-179.558.60000114.2H153H153-T155 PolarHBondContact ND1-N 3.46Å; H153-T155 PolarHBondContact ND1-OG1 3.32Å; H153-T155 PolarHBondContact O-N 3.29Å; H153-T155 VanDerWaalsContact O-N 3.11Å
156K91Very high88.5Confident125 Ų12567.4 Ų67.454%0.54333%0.333SS..Hα-helixtrans-99.9-6.6179.6-65.3-174.7178.8179.10112.6H153 E154 H158 E159 V160H153-K156 PolarHBondContact O-N 2.69Å; E154-K156 PolarHBondContact O-N 3.37Å; K156-H158 PolarHBondContact O-N 2.59Å; K156-E159 PolarHBondContact O-N 3.19Å; K156-V160 HydrophobicContact CB-CG2 4.46Å; K156-V160 VanDerWaalsContact O-CG2 3.28Å; K156-V160 WeakPolarHBondContact O-CG2 3.45Å; K156-V160 PolarHBondContact O-N 3.05Å
157R88.3Confident87.1Confident66 Ų6667.5 Ų67.525%0.24933%0.334CS..Hα-helixtrans-59.1-48.3-171.2-160.9-177.9-131.2143.56.8111.8I152 H153 E154 E159 V160 L161I152-R157 HydrophobicContact CG2-CB 4.31Å; I152-R157 HydrophobicContact CG2-CG 4.44Å; H153-R157 PolarHBondContact O-N 3.03Å; E154-R157 VanDerWaalsContact O-CB 3.31Å; E154-R157 WeakPolarHBondContact O-CB 3.33Å; E154-R157 PolarHBondContact O-N 3.15Å; E154-R157 VanDerWaalsContact O-N 3.14Å; E154-R157 IonicContact OE1-CZ 2.7Å; E154-R157 IonicContact OE1-NH1 3.81Å; E154-R157 PolarHBondContact OE1-NH1 2.7Å; E154-R157 IonicContact OE2-CZ 2.79Å; E154-R157 IonicContact OE2-NH1 2.84Å; E154-R157 PolarHBondContact OE2-NH1 3.27Å; R157-E159 VanDerWaalsContact C-N 3.34Å; R157-E159 PolarHBondContact O-N 3.12Å; R157-V160 PolarHBondContact O-N 3.22Å; R157-V160 VanDerWaalsContact O-N 3.14Å; R157-L161 HydrophobicContact CG-CD1 3.98Å; R157-L161 HydrophobicContact CG-CG 4.28Å; R157-L161 VanDerWaalsContact O-CG 3.24Å; R157-L161 WeakPolarHBondContact O-CG 3.4Å; R157-L161 PolarHBondContact O-N 3.05Å
158H87.1Confident85.8Confident157 Ų15769.6 Ų69.673%0.72735%0.351SS*.Hα-helixtrans-59.6-42.1179.5-173.170.2000112.8K156 V160 T162K156-H158 PolarHBondContact O-N 2.59Å; H158-V160 PolarHBondContact O-N 3Å; H158-T162 PolarHBondContact O-OG1 2.92Å
159E87.9Confident84.5Confident103 Ų10374.3 Ų74.348%0.48137%0.374SS..Hα-helixtrans-65.5-38.4176.5-170.6-144.5123.500111.9K156 R157 T162 R163K156-E159 PolarHBondContact O-N 3.19Å; R157-E159 VanDerWaalsContact C-N 3.34Å; R157-E159 PolarHBondContact O-N 3.12Å; E159-T162 PolarHBondContact O-OG1 2.94Å; E159-R163 IonicContact OE1-CZ 3.76Å; E159-R163 IonicContact OE1-NE 2.67Å; E159-R163 IonicContact OE1-NH2 3.92Å; E159-R163 PolarHBondContact OE1-NH2 3.02Å
160V88.5Confident82.9Confident8 Ų876.6 Ų76.65%0.04839%0.387CS..Hα-helixtrans-71.4-40.7-178.3174.80000111.7L97 I152 K156 R157 H158 T162 R163L97-V160 HydrophobicContact CB-CG1 3.93Å; L97-V160 HydrophobicContact CD2-CG1 3.69Å; L97-V160 HydrophobicContact CG-CG1 4.43Å; L97-V160 WeakPolarHBondContact O-CG1 3.05Å; I152-V160 HydrophobicContact CD1-CG1 4.32Å; I152-V160 HydrophobicContact CG2-CB 4.35Å; I152-V160 HydrophobicContact CG2-CG2 4.09Å; K156-V160 HydrophobicContact CB-CG2 4.46Å; K156-V160 VanDerWaalsContact O-CG2 3.28Å; K156-V160 WeakPolarHBondContact O-CG2 3.45Å; K156-V160 PolarHBondContact O-N 3.05Å; R157-V160 PolarHBondContact O-N 3.22Å; R157-V160 VanDerWaalsContact O-N 3.14Å; H158-V160 PolarHBondContact O-N 3Å; V160-T162 PolarHBondContact O-N 2.77Å; V160-R163 WeakPolarHBondContact O-CB 3.34Å; V160-R163 WeakPolarHBondContact O-CD 3.41Å; V160-R163 VanDerWaalsContact O-CG 3.27Å; V160-R163 WeakPolarHBondContact O-CG 3.46Å; V160-R163 PolarHBondContact O-N 3.38Å
161L84.9Confident81.5Confident58 Ų5875.4 Ų75.430%0.30438%0.378SS..THydrogen-bonded Turntrans-71.1-7.4-176.4-66.5-176.3000114.3L97 R157 N177L97-L161 HydrophobicContact CD2-CD2 4.22Å; R157-L161 HydrophobicContact CG-CD1 3.98Å; R157-L161 HydrophobicContact CG-CG 4.28Å; R157-L161 VanDerWaalsContact O-CG 3.24Å; R157-L161 WeakPolarHBondContact O-CG 3.4Å; R157-L161 PolarHBondContact O-N 3.05Å; L161-N177 HydrophobicContact CD2-CB 4.04Å; L161-N177 VanDerWaalsContact CD2-CG 3.42Å; L161-N177 VanDerWaalsContact CD2-ND2 3.32Å; L161-N177 WeakPolarHBondContact CD2-ND2 3.43Å
162T83Confident80.4Confident80 Ų8076.2 Ų76.249%0.49139%0.386SS..THydrogen-bonded Turntrans-99.11.5177.352.90000113H158 E159 V160 T164 A165H158-T162 PolarHBondContact O-OG1 2.92Å; E159-T162 PolarHBondContact O-OG1 2.94Å; V160-T162 PolarHBondContact O-N 2.77Å; T162-T164 VanDerWaalsContact C-N 3.28Å; T162-T164 PolarHBondContact O-N 3.45Å; T162-A165 WeakPolarHBondContact O-CB 3.23Å; T162-A165 PolarHBondContact O-N 3.42Å
163R81.6Confident79.7Confident61 Ų6176.5 Ų76.523%0.2339%0.389CS..THydrogen-bonded Turntrans-74.6-12.2-172-69.3175.4176.7175.20.4114.9E159 V160 A165E159-R163 IonicContact OE1-CZ 3.76Å; E159-R163 IonicContact OE1-NE 2.67Å; E159-R163 IonicContact OE1-NH2 3.92Å; E159-R163 PolarHBondContact OE1-NH2 3.02Å; V160-R163 WeakPolarHBondContact O-CB 3.34Å; V160-R163 WeakPolarHBondContact O-CD 3.41Å; V160-R163 VanDerWaalsContact O-CG 3.27Å; V160-R163 WeakPolarHBondContact O-CG 3.46Å; V160-R163 PolarHBondContact O-N 3.38Å; R163-A165 VanDerWaalsContact C-N 3.31Å
164T71.3Confident79.4Confident8 Ų873.5 Ų73.55%0.04938%0.375CS..THydrogen-bonded Turntrans-90.37.8178.346.30000112.6H95 V144 T162 F166 L167 A168 E175H95-T164 WeakPolarHBondContact NE2-CG2 3.38Å; V144-T164 HydrophobicContact CG1-CG2 3.8Å; T162-T164 VanDerWaalsContact C-N 3.28Å; T162-T164 PolarHBondContact O-N 3.45Å; T164-F166 PolarHBondContact O-N 3.32Å; T164-L167 PolarHBondContact O-N 3.3Å; T164-A168 PolarHBondContact O-N 3.47Å; T164-E175 PolarHBondContact OG1-OE2 2.89Å
165A70.4Confident79.5Confident47 Ų4769.5 Ų69.539%0.38836%0.356SS..Hα-helixtrans-48.8-38.1-174.400000114.9T162 R163 L167 A168 E169T162-A165 WeakPolarHBondContact O-CB 3.23Å; T162-A165 PolarHBondContact O-N 3.42Å; R163-A165 VanDerWaalsContact C-N 3.31Å; A165-L167 VanDerWaalsContact C-N 3.3Å; A165-L167 PolarHBondContact O-N 3.38Å; A165-A168 WeakPolarHBondContact O-CA 3.42Å; A165-A168 WeakPolarHBondContact O-CB 3.39Å; A165-A168 PolarHBondContact O-N 3.27Å; A165-E169 PolarHBondContact O-N 2.68Å
166F71.6Confident79.6Confident46 Ų4664 Ų6420%0.20232%0.323CS..Hα-helixtrans-63-34.4179.179-87.5000112.9S103 L106 R107 T164 A168S103-F166 WeakPolarHBondContact O-CE1 3.27Å; L106-F166 HydrophobicContact CB-CZ 3.93Å; R107-F166 HydrophobicContact CB-CD2 4.06Å; R107-F166 HydrophobicContact CB-CE2 3.38Å; R107-F166 HydrophobicContact CB-CZ 3.78Å; R107-F166 HydrophobicContact CG-CD2 4.18Å; R107-F166 HydrophobicContact CG-CE2 3.9Å; R107-F166 VanDerWaalsContact N-CZ 3.33Å; T164-F166 PolarHBondContact O-N 3.32Å; F166-A168 VanDerWaalsContact C-N 3.33Å
167L68.8Low79.9Confident2 Ų259.3 Ų59.31%0.0130%0.303CS..Hα-helixtrans-72.7-32.6173.7-67.2173000110.8L106 V144 T164 A165 F171 N172 P173L106-L167 HydrophobicContact CB-CD1 4.14Å; L106-L167 HydrophobicContact CD1-CD1 3.99Å; V144-L167 HydrophobicContact CG2-CD1 3.57Å; T164-L167 PolarHBondContact O-N 3.3Å; A165-L167 VanDerWaalsContact C-N 3.3Å; A165-L167 PolarHBondContact O-N 3.38Å; L167-F171 HydrophobicContact CD2-CD2 4.16Å; L167-F171 HydrophobicContact CD2-CE2 4.45Å; L167-F171 WeakPolarHBondContact O-CA 3.35Å; L167-F171 WeakPolarHBondContact O-CB 3.5Å; L167-F171 PolarHBondContact O-N 3.12Å; L167-N172 PolarHBondContact O-N 3.42Å; L167-P173 HydrophobicContact CB-CG 3.96Å; L167-P173 WeakPolarHBondContact O-CD 3.32Å
168A70.4Confident80.3Confident46 Ų4656.1 Ų56.138%0.3829%0.291SS..Hα-helixtrans-65.6-40.617800000112.2T164 A165 F166 D170 N172T164-A168 PolarHBondContact O-N 3.47Å; A165-A168 WeakPolarHBondContact O-CA 3.42Å; A165-A168 WeakPolarHBondContact O-CB 3.39Å; A165-A168 PolarHBondContact O-N 3.27Å; F166-A168 VanDerWaalsContact C-N 3.33Å; A168-D170 PolarHBondContact O-N 3.3Å; A168-N172 WeakPolarHBondContact O-CA 3.46Å; A168-N172 PolarHBondContact O-N 3.02Å; A168-N172 VanDerWaalsContact O-N 3.09Å
169E68.6Low80.8Confident154 Ų15449.4 Ų49.472%0.7226%0.261SS*.Hα-helixtrans-63.6-39.6178.2-72.4173-167.600112.7A165A165-E169 PolarHBondContact O-N 2.68Å
170D63.1Low81.1Confident61 Ų6145 Ų4533%0.32624%0.241SC..Hα-helixtrans-94.1-34.2-173-73-38.4000113.9Y130 A168Y130-D170 HydrophobicContact CE1-CB 4.43Å; Y130-D170 WeakPolarHBondContact OH-CB 3.36Å; Y130-D170 VanDerWaalsContact OH-CG 3.28Å; Y130-D170 PolarHBondContact OH-OD2 3.32Å; A168-D170 PolarHBondContact O-N 3.3Å
171F66.5Low81.5Confident56 Ų5649 Ų4925%0.24627%0.265CS..Hα-helixtrans-130.4-12.5-169.3-57.3-77000114.5L114 Y130 F135 L142 L167 P173L114-F171 HydrophobicContact CD1-CZ 4.39Å; Y130-F171 HydrophobicContact CE2-CZ 4.44Å; Y130-F171 WeakPolarHBondContact OH-CE2 3.31Å; Y130-F171 WeakPolarHBondContact OH-CZ 3.41Å; F135-F171 HydrophobicContact CB-CE1 4.17Å; F135-F171 AromaticContact CD1-CE1 3.7Å; F135-F171 HydrophobicContact CD1-CE1 3.7Å; F135-F171 AromaticContact CD1-CZ 3.64Å; F135-F171 HydrophobicContact CD1-CZ 3.64Å; F135-F171 HydrophobicContact CE1-CE1 4.42Å; F135-F171 AromaticContact CE1-CZ 3.95Å; F135-F171 HydrophobicContact CE1-CZ 3.95Å; F135-F171 HydrophobicContact CG-CE1 4.15Å; F135-F171 HydrophobicContact CG-CZ 4.15Å; L142-F171 HydrophobicContact CD1-CB 3.78Å; L142-F171 HydrophobicContact CD1-CD1 3.67Å; L142-F171 HydrophobicContact CD1-CD2 4.14Å; L142-F171 HydrophobicContact CD1-CE1 4.26Å; L142-F171 HydrophobicContact CD1-CG 3.59Å; L167-F171 HydrophobicContact CD2-CD2 4.16Å; L167-F171 HydrophobicContact CD2-CE2 4.45Å; L167-F171 WeakPolarHBondContact O-CA 3.35Å; L167-F171 WeakPolarHBondContact O-CB 3.5Å; L167-F171 PolarHBondContact O-N 3.12Å; F171-P173 VanDerWaalsContact C-N 3.3Å
172N73.4Confident82Confident134 Ų13448.7 Ų48.772%0.71726%0.264SS*.  trans38.954.5-172.8-167.936.2000113.1L167 A168L167-N172 PolarHBondContact O-N 3.42Å; A168-N172 WeakPolarHBondContact O-CA 3.46Å; A168-N172 PolarHBondContact O-N 3.02Å; A168-N172 VanDerWaalsContact O-N 3.09Å
173P79.4Confident82.5Confident24 Ų2447.1 Ų47.116%0.15626%0.256CS..  trans-68153.2-176.131.7-35.7000110.1L142 V144 L167 F171L142-P173 HydrophobicContact CB-CB 4.14Å; V144-P173 HydrophobicContact CG2-CB 3.92Å; V144-P173 HydrophobicContact CG2-CG 3.58Å; L167-P173 HydrophobicContact CB-CG 3.96Å; L167-P173 WeakPolarHBondContact O-CD 3.32Å; F171-P173 VanDerWaalsContact C-N 3.3Å
174E88.5Confident83.1Confident65 Ų6553.9 Ų53.930%0.30428%0.281SS..EExtended strand (participates in β ladder)trans-63.8144.8164.1-72-166.2-153.300109.5L143 V144 K195L143-E174 HydrophobicContact CD1-CB 3.9Å; L143-E174 WeakPolarHBondContact CD1-O 3.38Å; V144-E174 PolarHBondContact N-O 3.14Å; E174-K195 WeakPolarHBondContact OE2-CA 3.27Å; E174-K195 VanDerWaalsContact OE2-CB 3.31Å; E174-K195 WeakPolarHBondContact OE2-CB 3.41Å; E174-K195 WeakPolarHBondContact OE2-CG 3.46Å
175E92.5Very high84.3Confident42 Ų4256.4 Ų56.420%0.19629%0.29CS..EExtended strand (participates in β ladder)trans-123.1133.2178.2-165.7178.6134.900111.2V144 T164 N177 K195V144-E175 HydrophobicContact CB-CG 4.33Å; V144-E175 HydrophobicContact CG1-CG 4.42Å; V144-E175 WeakPolarHBondContact O-CA 3.48Å; T164-E175 PolarHBondContact OG1-OE2 2.89Å; E175-N177 PolarHBondContact OE1-ND2 2.92Å; E175-K195 PolarHBondContact O-NZ 2.94Å
176I95.8Very high85.4Confident1 Ų155 Ų551%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-124.5129.7173.5-66.2173.1000108.2L143 V144 I145 G146 L178 N192 K195 L196L143-I176 HydrophobicContact CD1-CD1 4.02Å; L143-I176 HydrophobicContact CD1-CG1 4.18Å; L143-I176 HydrophobicContact CD2-CD1 4.37Å; V144-I176 PolarHBondContact O-N 2.93Å; I145-I176 CarbonylContact C-O 3.56Å; I145-I176 VanDerWaalsContact CA-O 3.23Å; I145-I176 WeakPolarHBondContact CA-O 3.26Å; I145-I176 HydrophobicContact CG1-CB 4.27Å; G146-I176 PolarHBondContact N-O 3.29Å; I176-L178 HydrophobicContact CG2-CB 4.49Å; I176-L178 HydrophobicContact CG2-CD2 3.83Å; I176-L178 HydrophobicContact CG2-CG 4.3Å; I176-N192 HydrophobicContact CG2-CB 4.07Å; I176-K195 HydrophobicContact CD1-CB 3.81Å; I176-K195 HydrophobicContact CG1-CB 3.98Å; I176-K195 HydrophobicContact CG1-CD 3.89Å; I176-L196 HydrophobicContact CD1-CB 4.14Å
177N96.3Very high86.5Confident26 Ų2654.8 Ų54.814%0.13928%0.283CS..EExtended strand (participates in β ladder)trans-116.4127.5173.5-67.5-71.1000108.7L97 G146 L149 L161 E175L97-N177 HydrophobicContact CD1-CB 4.21Å; L97-N177 WeakPolarHBondContact CD2-OD1 3.31Å; G146-N177 WeakPolarHBondContact CA-OD1 2.91Å; G146-N177 WeakPolarHBondContact O-CA 3Å; L149-N177 HydrophobicContact CD1-CB 4.39Å; L149-N177 HydrophobicContact CD2-CB 4.16Å; L161-N177 HydrophobicContact CD2-CB 4.04Å; L161-N177 VanDerWaalsContact CD2-CG 3.42Å; L161-N177 VanDerWaalsContact CD2-ND2 3.32Å; L161-N177 WeakPolarHBondContact CD2-ND2 3.43Å; E175-N177 PolarHBondContact OE1-ND2 2.92Å
178L96.6Very high87.6Confident0 Ų059.6 Ų59.60%032%0.323CS..  trans-150.2168.2-172.860.675.2000113.5L22 I145 G146 T147 K148 L149 I176 C180 Y185 L186L22-L178 HydrophobicContact CD1-CD1 4.4Å; L22-L178 HydrophobicContact CD1-CD2 4.19Å; I145-L178 HydrophobicContact CG2-CD2 4.29Å; I145-L178 HydrophobicContact CG2-CG 4.14Å; G146-L178 PolarHBondContact O-N 3.33Å; T147-L178 CarbonylContact C-O 3.48Å; T147-L178 WeakPolarHBondContact CA-O 3.21Å; K148-L178 PolarHBondContact N-O 2.95Å; L149-L178 WeakPolarHBondContact CB-O 3.17Å; L149-L178 PolarHBondContact N-O 3.08Å; I176-L178 HydrophobicContact CG2-CB 4.49Å; I176-L178 HydrophobicContact CG2-CD2 3.83Å; I176-L178 HydrophobicContact CG2-CG 4.3Å; L178-C180 HydrophobicContact CD1-CB 4.35Å; L178-C180 WeakPolarHBondContact CD1-SG 3.47Å; L178-Y185 HydrophobicContact CB-CD1 3.73Å; L178-Y185 HydrophobicContact CB-CG 3.83Å; L178-L186 HydrophobicContact CD2-CD1 4.2Å; L178-L186 HydrophobicContact CD2-CD2 4.05Å; L178-L186 HydrophobicContact CD2-CG 4.11Å
179D96.8Very high88.6Confident16 Ų1661 Ų619%0.08634%0.342CS..  trans-106.7115.5164.8166.117.5000108.3D150 T181 N182 Y185D150-D179 HydrophobicContact CB-CB 4.08Å; D179-T181 VanDerWaalsContact CG-OG1 3.24Å; D179-T181 PolarHBondContact O-N 3.36Å; D179-T181 WeakPolarHBondContact OD1-CA 3.34Å; D179-T181 WeakPolarHBondContact OD1-CB 3.35Å; D179-T181 PolarHBondContact OD1-N 3Å; D179-T181 PolarHBondContact OD1-OG1 3.22Å; D179-T181 PolarHBondContact OD2-OG1 2.87Å; D179-T181 VanDerWaalsContact OD2-OG1 3.1Å; D179-N182 HydrophobicContact CB-CB 4.4Å; D179-N182 PolarHBondContact O-N 3.09Å; D179-N182 WeakPolarHBondContact OD2-CB 3.44Å; D179-Y185 HydrophobicContact CB-CD2 4.05Å; D179-Y185 HydrophobicContact CB-CE2 3.69Å
180C96.1Very high89.8Confident9 Ų955 Ų556%0.06132%0.317CS..THydrogen-bonded Turntrans-67.8-11.8-179.7-59.70000113.2L178 N182L178-C180 HydrophobicContact CD1-CB 4.35Å; L178-C180 WeakPolarHBondContact CD1-SG 3.47Å; C180-N182 VanDerWaalsContact C-N 3.35Å
181T94.9Very high91.4Very high92 Ų9256 Ų5656%0.56433%0.329SS*.THydrogen-bonded Turntrans-91.60.4177.374.80000113V31 D179V31-T181 HydrophobicContact CG1-CG2 4.47Å; V31-T181 VanDerWaalsContact CG2-O 3.24Å; V31-T181 WeakPolarHBondContact CG2-O 3.35Å; D179-T181 VanDerWaalsContact CG-OG1 3.24Å; D179-T181 PolarHBondContact O-N 3.36Å; D179-T181 WeakPolarHBondContact OD1-CA 3.34Å; D179-T181 WeakPolarHBondContact OD1-CB 3.35Å; D179-T181 PolarHBondContact OD1-N 3Å; D179-T181 PolarHBondContact OD1-OG1 3.22Å; D179-T181 PolarHBondContact OD2-OG1 2.87Å; D179-T181 VanDerWaalsContact OD2-OG1 3.1Å
182N95.4Very high92.8Very high53 Ų5354.5 Ų54.528%0.28332%0.323SS..  trans-127.6102.5178.5-176.8-9.2000111.3D179 C180 R184 Y185D179-N182 HydrophobicContact CB-CB 4.4Å; D179-N182 PolarHBondContact O-N 3.09Å; D179-N182 WeakPolarHBondContact OD2-CB 3.44Å; C180-N182 VanDerWaalsContact C-N 3.35Å; N182-R184 PolarHBondContact O-N 3.1Å; N182-R184 VanDerWaalsContact OD1-CB 3.28Å; N182-R184 WeakPolarHBondContact OD1-CB 3.4Å; N182-R184 WeakPolarHBondContact OD1-CG 3.28Å; N182-R184 PolarHBondContact OD1-N 2.67Å; N182-R184 VanDerWaalsContact OD1-N 3.13Å; N182-Y185 HydrophobicContact CB-CD2 3.88Å; N182-Y185 HydrophobicContact CB-CE2 4.13Å; N182-Y185 PolarHBondContact O-N 3.13Å
183P93.9Very high93.8Very high47 Ų4749 Ų4931%0.30530%0.296SS..G310 helixtrans-59.9-19.6-177.4-25.334.6000114.8L25 V31 Y185 L186 A187L25-P183 HydrophobicContact CD1-CB 4.08Å; L25-P183 HydrophobicContact CD1-CG 4.18Å; V31-P183 HydrophobicContact CG2-CG 3.77Å; P183-Y185 PolarHBondContact O-N 3.5Å; P183-Y185 VanDerWaalsContact O-N 3.16Å; P183-L186 PolarHBondContact O-N 2.7Å; P183-A187 PolarHBondContact O-N 3.17Å
184R95.5Very high94.6Very high202 Ų20250.6 Ų50.676%0.76231%0.305SS*.G310 helixtrans-61.8-25.5179.9-62.8-179.1177.1173.80.2112.9N182 L186 A187N182-R184 PolarHBondContact O-N 3.1Å; N182-R184 VanDerWaalsContact OD1-CB 3.28Å; N182-R184 WeakPolarHBondContact OD1-CB 3.4Å; N182-R184 WeakPolarHBondContact OD1-CG 3.28Å; N182-R184 PolarHBondContact OD1-N 2.67Å; N182-R184 VanDerWaalsContact OD1-N 3.13Å; R184-L186 PolarHBondContact O-N 3.21Å; R184-A187 WeakPolarHBondContact O-CB 3.27Å; R184-A187 PolarHBondContact O-N 3.27Å
185Y95.1Very high94.9Very high61 Ų6150.6 Ų50.624%0.23930%0.304CS..G310 helixtrans-64.2-17.8175.5-82.1-87.7000113.6L149 L178 D179 N182 P183 N192L149-Y185 HydrophobicContact CD2-CE1 3.79Å; L178-Y185 HydrophobicContact CB-CD1 3.73Å; L178-Y185 HydrophobicContact CB-CG 3.83Å; D179-Y185 HydrophobicContact CB-CD2 4.05Å; D179-Y185 HydrophobicContact CB-CE2 3.69Å; N182-Y185 HydrophobicContact CB-CD2 3.88Å; N182-Y185 HydrophobicContact CB-CE2 4.13Å; N182-Y185 PolarHBondContact O-N 3.13Å; P183-Y185 PolarHBondContact O-N 3.5Å; P183-Y185 VanDerWaalsContact O-N 3.16Å; Y185-N192 WeakPolarHBondContact O-CB 3.38Å; Y185-N192 PolarHBondContact O-ND2 3.01Å
186L94.9Very high95.1Very high18 Ų1848.7 Ų48.79%0.09430%0.295CS..G310 helixtrans-124.217.2177.3-66.4176.5000112.2L25 L26 L178 P183 R184 N192 L196L25-L186 HydrophobicContact CD2-CD1 3.72Å; L25-L186 HydrophobicContact CD2-CG 4.44Å; L25-L186 HydrophobicContact CG-CD1 3.9Å; L26-L186 HydrophobicContact CD2-CD1 3.67Å; L26-L186 HydrophobicContact CG-CD1 4.34Å; L178-L186 HydrophobicContact CD2-CD1 4.2Å; L178-L186 HydrophobicContact CD2-CD2 4.05Å; L178-L186 HydrophobicContact CD2-CG 4.11Å; P183-L186 PolarHBondContact O-N 2.7Å; R184-L186 PolarHBondContact O-N 3.21Å; L186-N192 HydrophobicContact CD2-CB 4.17Å; L186-L196 HydrophobicContact CD2-CD2 4.21Å
187A93.6Very high95.2Very high42 Ų4250.2 Ų50.235%0.34731%0.306SS..  trans-60.4145.5175.300000111P183 R184 G189 S190 A193P183-A187 PolarHBondContact O-N 3.17Å; R184-A187 WeakPolarHBondContact O-CB 3.27Å; R184-A187 PolarHBondContact O-N 3.27Å; A187-G189 PolarHBondContact O-N 2.61Å; A187-S190 WeakPolarHBondContact O-CB 3.41Å; A187-S190 PolarHBondContact O-N 2.82Å; A187-S190 PolarHBondContact O-OG 3.43Å; A187-A193 VanDerWaalsContact O-CB 3.28Å; A187-A193 WeakPolarHBondContact O-CB 3.25Å
188A91.8Very high95.1Very high102 Ų10256 Ų5684%0.84333%0.326SS*.THydrogen-bonded Turntrans-53138175.800000111.1S190A188-S190 PolarHBondContact O-N 3.22Å
189G90.8Very high95.1Very high76 Ų7656.3 Ų56.378%0.78433%0.327SS*.THydrogen-bonded Turntrans78.6-7.7-175.900000115.5A187A187-G189 PolarHBondContact O-N 2.61Å
190S95.3Very high95.1Very high29 Ų2955.5 Ų55.520%0.20332%0.323CS..SBendtrans-69.5152.3172.170.70000111.7A187 A188 N192 A193 V194A187-S190 WeakPolarHBondContact O-CB 3.41Å; A187-S190 PolarHBondContact O-N 2.82Å; A187-S190 PolarHBondContact O-OG 3.43Å; A188-S190 PolarHBondContact O-N 3.22Å; S190-N192 PolarHBondContact O-N 3.02Å; S190-A193 PolarHBondContact O-N 2.86Å; S190-A193 VanDerWaalsContact O-N 3.12Å; S190-A193 WeakPolarHBondContact OG-CB 3.47Å; S190-A193 PolarHBondContact OG-N 2.91Å; S190-A193 VanDerWaalsContact OG-N 3.15Å; S190-V194 WeakPolarHBondContact O-CG2 3.32Å; S190-V194 PolarHBondContact O-N 3.23Å
191S95.3Very high95.1Very high81 Ų8156.3 Ų56.357%0.56633%0.327SS*.Hα-helixtrans-54.7-39.1176.2-176.20000112.4V194 K195S191-V194 PolarHBondContact O-N 2.97Å; S191-K195 WeakPolarHBondContact O-CG 3.35Å; S191-K195 PolarHBondContact O-N 3.08Å
192N96Very high95.1Very high24 Ų2457 Ų5713%0.12832%0.322CS..Hα-helixtrans-68-42.1177.9-72.7-10.1000112.4I176 Y185 L186 S190 V194 K195 L196I176-N192 HydrophobicContact CG2-CB 4.07Å; Y185-N192 WeakPolarHBondContact O-CB 3.38Å; Y185-N192 PolarHBondContact O-ND2 3.01Å; L186-N192 HydrophobicContact CD2-CB 4.17Å; S190-N192 PolarHBondContact O-N 3.02Å; N192-V194 VanDerWaalsContact C-N 3.29Å; N192-V194 PolarHBondContact O-N 3.02Å; N192-K195 PolarHBondContact O-N 2.66Å; N192-L196 VanDerWaalsContact O-CB 3.29Å; N192-L196 WeakPolarHBondContact O-CB 3.32Å; N192-L196 PolarHBondContact O-N 3.02Å
193A95.3Very high95Very high18 Ų1854.5 Ų54.515%0.14931%0.309CS..Hα-helixtrans-62.3-39.2175.600000111.4A187 S190 L196 S197A187-A193 VanDerWaalsContact O-CB 3.28Å; A187-A193 WeakPolarHBondContact O-CB 3.25Å; S190-A193 PolarHBondContact O-N 2.86Å; S190-A193 VanDerWaalsContact O-N 3.12Å; S190-A193 WeakPolarHBondContact OG-CB 3.47Å; S190-A193 PolarHBondContact OG-N 2.91Å; S190-A193 VanDerWaalsContact OG-N 3.15Å; A193-L196 PolarHBondContact O-N 3.49Å; A193-S197 WeakPolarHBondContact O-CB 3.41Å; A193-S197 PolarHBondContact O-N 3.44Å
194V95.6Very high95.1Very high58 Ų5852.2 Ų52.235%0.35229%0.294SS..Hα-helixtrans-64.4-47.3176174.60000111.7S190 S191 N192 L196 S197 R198S190-V194 WeakPolarHBondContact O-CG2 3.32Å; S190-V194 PolarHBondContact O-N 3.23Å; S191-V194 PolarHBondContact O-N 2.97Å; N192-V194 VanDerWaalsContact C-N 3.29Å; N192-V194 PolarHBondContact O-N 3.02Å; V194-L196 VanDerWaalsContact C-N 3.34Å; V194-L196 PolarHBondContact O-N 2.78Å; V194-S197 PolarHBondContact O-N 3.36Å; V194-R198 WeakPolarHBondContact O-CG 3.29Å; V194-R198 PolarHBondContact O-N 3.46Å
195K96.3Very high95Very high65 Ų6545.9 Ų45.928%0.28327%0.273SS..Hα-helixtrans-58.8-45.1175.4-74.2176.3174.2-174.90112E174 E175 I176 S191 N192 S197 R198 F199E174-K195 WeakPolarHBondContact OE2-CA 3.27Å; E174-K195 VanDerWaalsContact OE2-CB 3.31Å; E174-K195 WeakPolarHBondContact OE2-CB 3.41Å; E174-K195 WeakPolarHBondContact OE2-CG 3.46Å; E175-K195 PolarHBondContact O-NZ 2.94Å; I176-K195 HydrophobicContact CD1-CB 3.81Å; I176-K195 HydrophobicContact CG1-CB 3.98Å; I176-K195 HydrophobicContact CG1-CD 3.89Å; S191-K195 WeakPolarHBondContact O-CG 3.35Å; S191-K195 PolarHBondContact O-N 3.08Å; N192-K195 PolarHBondContact O-N 2.66Å; K195-S197 PolarHBondContact O-N 3.34Å; K195-R198 PolarHBondContact O-N 3.29Å; K195-F199 PolarHBondContact O-N 3.13Å
196L96.8Very high94.7Very high2 Ų245.6 Ų45.61%0.0127%0.273CS..Hα-helixtrans-61.9-43.6177.8-178.370.2000111.9L26 L143 I176 L186 N192 A193 V194 F199 F200L26-L196 HydrophobicContact CD2-CD1 3.96Å; L26-L196 HydrophobicContact CD2-CD2 3.28Å; L26-L196 HydrophobicContact CD2-CG 4.25Å; L143-L196 HydrophobicContact CD2-CD1 3.94Å; I176-L196 HydrophobicContact CD1-CB 4.14Å; L186-L196 HydrophobicContact CD2-CD2 4.21Å; N192-L196 VanDerWaalsContact O-CB 3.29Å; N192-L196 WeakPolarHBondContact O-CB 3.32Å; N192-L196 PolarHBondContact O-N 3.02Å; A193-L196 PolarHBondContact O-N 3.49Å; V194-L196 VanDerWaalsContact C-N 3.34Å; V194-L196 PolarHBondContact O-N 2.78Å; L196-F199 WeakPolarHBondContact O-CB 3.36Å; L196-F199 PolarHBondContact O-N 2.87Å; L196-F200 HydrophobicContact CD1-CD2 4.25Å; L196-F200 HydrophobicContact CD1-CE2 3.54Å; L196-F200 HydrophobicContact CD1-CZ 3.7Å; L196-F200 HydrophobicContact CD2-CE2 3.96Å; L196-F200 HydrophobicContact CG-CD2 3.98Å; L196-F200 HydrophobicContact CG-CE2 3.5Å; L196-F200 VanDerWaalsContact CG-CE2 3.5Å; L196-F200 HydrophobicContact CG-CZ 4.19Å; L196-F200 WeakPolarHBondContact O-CD2 3.45Å; L196-F200 PolarHBondContact O-N 3.38Å
197S96.4Very high94.5Very high33 Ų3349.4 Ų49.423%0.23129%0.286CS..Hα-helixtrans-59.8-48.2175.3-167.70000111.3H48 A193 V194 K195 F199 F200 D201H48-S197 PolarHBondContact CE1-OG 2.87Å; A193-S197 WeakPolarHBondContact O-CB 3.41Å; A193-S197 PolarHBondContact O-N 3.44Å; V194-S197 PolarHBondContact O-N 3.36Å; K195-S197 PolarHBondContact O-N 3.34Å; S197-F199 VanDerWaalsContact C-N 3.29Å; S197-F199 PolarHBondContact O-N 3.02Å; S197-F200 PolarHBondContact O-N 2.97Å; S197-F200 VanDerWaalsContact O-N 3.12Å; S197-D201 WeakPolarHBondContact O-CB 3.43Å; S197-D201 PolarHBondContact O-N 3.06Å
198R95.6Very high94.2Very high149 Ų14949.9 Ų49.956%0.56228%0.279SS*.Hα-helixtrans-58.9-40.6177.3-71.9176.2-172.2175.12.4112.4V194 K195 K202V194-R198 WeakPolarHBondContact O-CG 3.29Å; V194-R198 PolarHBondContact O-N 3.46Å; K195-R198 PolarHBondContact O-N 3.29Å; R198-K202 VanDerWaalsContact O-CB 3.28Å; R198-K202 WeakPolarHBondContact O-CB 3.47Å; R198-K202 PolarHBondContact O-N 3.27Å
199F96.4Very high93.8Very high5 Ų549.4 Ų49.42%0.02226%0.258CS..Hα-helixtrans-60.1-48.9174.7167.7-102.5000111.5V9 I92 P141 L143 K195 L196 S197 K202 V203V9-F199 HydrophobicContact CG1-CE1 4.08Å; V9-F199 HydrophobicContact CG1-CZ 4.16Å; I92-F199 HydrophobicContact CD1-CE1 3.98Å; I92-F199 HydrophobicContact CG1-CE1 3.72Å; I92-F199 HydrophobicContact CG1-CZ 3.86Å; P141-F199 HydrophobicContact CB-CD2 4.29Å; P141-F199 HydrophobicContact CB-CE2 4.02Å; P141-F199 WeakPolarHBondContact O-CE2 3.36Å; L143-F199 HydrophobicContact CB-CD1 4.25Å; L143-F199 HydrophobicContact CB-CD2 3.55Å; L143-F199 HydrophobicContact CB-CE1 4.32Å; L143-F199 HydrophobicContact CB-CE2 3.62Å; L143-F199 HydrophobicContact CB-CG 3.86Å; L143-F199 HydrophobicContact CB-CZ 4.02Å; L143-F199 HydrophobicContact CD2-CB 4.23Å; L143-F199 HydrophobicContact CD2-CD1 3.8Å; L143-F199 HydrophobicContact CD2-CD2 4.46Å; L143-F199 HydrophobicContact CD2-CE1 4.27Å; L143-F199 HydrophobicContact CD2-CG 3.9Å; L143-F199 HydrophobicContact CG-CG 4.41Å; K195-F199 PolarHBondContact O-N 3.13Å; L196-F199 WeakPolarHBondContact O-CB 3.36Å; L196-F199 PolarHBondContact O-N 2.87Å; S197-F199 VanDerWaalsContact C-N 3.29Å; S197-F199 PolarHBondContact O-N 3.02Å; F199-K202 PolarHBondContact O-N 2.65Å; F199-V203 HydrophobicContact CD2-CG2 4.46Å; F199-V203 HydrophobicContact CE1-CG2 4.2Å; F199-V203 HydrophobicContact CE2-CG2 4.02Å; F199-V203 HydrophobicContact CZ-CG2 3.88Å; F199-V203 WeakPolarHBondContact O-CG2 3.45Å; F199-V203 PolarHBondContact O-N 3.06Å
200F97.1Very high92.8Very high0 Ų050.7 Ų50.70%025%0.247CC..Hα-helixtrans-65.7-41179.2-70.2-40000112.9H48 I62 L64 L196 S197 K202 V203 I204H48-F200 AromaticContact ND1-CD2 3.76Å; I62-F200 HydrophobicContact CD1-CB 3.51Å; I62-F200 HydrophobicContact CD1-CD1 3.34Å; I62-F200 HydrophobicContact CD1-CD2 3.77Å; I62-F200 HydrophobicContact CD1-CE1 3.92Å; I62-F200 HydrophobicContact CD1-CE2 4.29Å; I62-F200 HydrophobicContact CD1-CG 3.26Å; I62-F200 HydrophobicContact CD1-CZ 4.36Å; I62-F200 HydrophobicContact CG2-CD1 4.07Å; I62-F200 HydrophobicContact CG2-CE1 3.8Å; I62-F200 HydrophobicContact CG2-CZ 4.44Å; L64-F200 HydrophobicContact CD2-CE1 4.24Å; L64-F200 HydrophobicContact CD2-CZ 4.34Å; L196-F200 HydrophobicContact CD1-CD2 4.25Å; L196-F200 HydrophobicContact CD1-CE2 3.54Å; L196-F200 HydrophobicContact CD1-CZ 3.7Å; L196-F200 HydrophobicContact CD2-CE2 3.96Å; L196-F200 HydrophobicContact CG-CD2 3.98Å; L196-F200 HydrophobicContact CG-CE2 3.5Å; L196-F200 VanDerWaalsContact CG-CE2 3.5Å; L196-F200 HydrophobicContact CG-CZ 4.19Å; L196-F200 WeakPolarHBondContact O-CD2 3.45Å; L196-F200 PolarHBondContact O-N 3.38Å; S197-F200 PolarHBondContact O-N 2.97Å; S197-F200 VanDerWaalsContact O-N 3.12Å; F200-K202 VanDerWaalsContact C-N 3.31Å; F200-K202 PolarHBondContact O-N 3.26Å; F200-V203 WeakPolarHBondContact O-CB 3.33Å; F200-V203 PolarHBondContact O-N 3.24Å; F200-V203 VanDerWaalsContact O-N 3.16Å; F200-I204 WeakPolarHBondContact O-CG1 3.49Å; F200-I204 PolarHBondContact O-N 3.01Å
201D95.6Very high90.8Very high25 Ų2559.2 Ų59.213%0.13427%0.274CS..Hα-helixtrans-59.1-45174.4-66.5-19.4000110.7H48 Y50 S197 V203 I204 E205H48-D201 IonicContact CD2-OD1 2.82Å; H48-D201 IonicContact CE1-OD1 2.78Å; H48-D201 IonicContact NE2-OD1 3.18Å; H48-D201 PolarHBondContact NE2-OD1 3.34Å; Y50-D201 HydrophobicContact CD2-CB 3.95Å; Y50-D201 WeakPolarHBondContact CD2-OD1 3.47Å; Y50-D201 HydrophobicContact CE2-CB 3.94Å; S197-D201 WeakPolarHBondContact O-CB 3.43Å; S197-D201 PolarHBondContact O-N 3.06Å; D201-V203 VanDerWaalsContact C-N 3.33Å; D201-V203 PolarHBondContact O-N 3.17Å; D201-I204 PolarHBondContact O-N 3.48Å; D201-E205 WeakPolarHBondContact O-CB 3.32Å; D201-E205 VanDerWaalsContact O-CG 3.28Å; D201-E205 WeakPolarHBondContact O-CG 3.24Å; D201-E205 PolarHBondContact O-N 3.11Å
202K94Very high88.5Confident107 Ų10762.9 Ų62.947%0.46528%0.282SS..Hα-helixtrans-62.1-37.4176.2-171.9178.5179.2178.80112.6P141 R198 F199 F200 K206P141-K202 HydrophobicContact CB-CD 4.16Å; P141-K202 HydrophobicContact CB-CG 4.17Å; P141-K202 HydrophobicContact CG-CD 4.31Å; P141-K202 HydrophobicContact CG-CG 3.88Å; R198-K202 VanDerWaalsContact O-CB 3.28Å; R198-K202 WeakPolarHBondContact O-CB 3.47Å; R198-K202 PolarHBondContact O-N 3.27Å; F199-K202 PolarHBondContact O-N 2.65Å; F200-K202 VanDerWaalsContact C-N 3.31Å; F200-K202 PolarHBondContact O-N 3.26Å; K202-K206 WeakPolarHBondContact O-CB 3.48Å; K202-K206 VanDerWaalsContact O-CG 3.24Å; K202-K206 WeakPolarHBondContact O-CG 3.27Å; K202-K206 PolarHBondContact O-N 2.74Å
203V94.7Very high86.1Confident0 Ų065.1 Ų65.10%031%0.311CS..Hα-helixtrans-63.3-46.2174.2168.20000111V7 V9 N89 P141 F199 F200 D201 R207V7-V203 HydrophobicContact CB-CG1 3.98Å; V7-V203 HydrophobicContact CG1-CG1 4.32Å; V7-V203 HydrophobicContact CG2-CG1 4.17Å; V9-V203 HydrophobicContact CG2-CG1 4.12Å; N89-V203 HydrophobicContact CB-CG1 3.75Å; P141-V203 HydrophobicContact CB-CG2 3.79Å; P141-V203 HydrophobicContact CG-CG2 3.97Å; F199-V203 HydrophobicContact CD2-CG2 4.46Å; F199-V203 HydrophobicContact CE1-CG2 4.2Å; F199-V203 HydrophobicContact CE2-CG2 4.02Å; F199-V203 HydrophobicContact CZ-CG2 3.88Å; F199-V203 WeakPolarHBondContact O-CG2 3.45Å; F199-V203 PolarHBondContact O-N 3.06Å; F200-V203 WeakPolarHBondContact O-CB 3.33Å; F200-V203 PolarHBondContact O-N 3.24Å; F200-V203 VanDerWaalsContact O-N 3.16Å; D201-V203 VanDerWaalsContact C-N 3.33Å; D201-V203 PolarHBondContact O-N 3.17Å; V203-R207 WeakPolarHBondContact O-CB 3.36Å; V203-R207 PolarHBondContact O-N 3.26Å; V203-R207 VanDerWaalsContact O-N 3.1Å
204I94.8Very high83.3Confident0 Ų071.9 Ų71.90%035%0.345CS..Hα-helixtrans-63-45.8178.1-67.9162.5000110.1V7 Y50 Y60 F200 D201 K206 R207 Y208 F209V7-I204 HydrophobicContact CG1-CG1 4.05Å; V7-I204 HydrophobicContact CG2-CG1 4.27Å; Y50-I204 HydrophobicContact CD2-CB 4.3Å; Y50-I204 HydrophobicContact CD2-CD1 4.33Å; Y50-I204 HydrophobicContact CD2-CG2 4.06Å; Y50-I204 HydrophobicContact CE2-CG2 4.45Å; Y50-I204 HydrophobicContact CG-CG2 4.27Å; Y60-I204 HydrophobicContact CD1-CD1 4.48Å; Y60-I204 HydrophobicContact CD1-CG1 4.35Å; Y60-I204 HydrophobicContact CD1-CG2 4.15Å; Y60-I204 HydrophobicContact CD2-CD1 3.75Å; Y60-I204 HydrophobicContact CD2-CG1 4.39Å; Y60-I204 HydrophobicContact CD2-CG2 4.07Å; Y60-I204 HydrophobicContact CE1-CG2 3.81Å; Y60-I204 HydrophobicContact CE2-CD1 4.44Å; Y60-I204 HydrophobicContact CE2-CG2 3.7Å; Y60-I204 HydrophobicContact CG-CD1 3.79Å; Y60-I204 HydrophobicContact CG-CG1 4.14Å; Y60-I204 HydrophobicContact CG-CG2 4.29Å; F200-I204 WeakPolarHBondContact O-CG1 3.49Å; F200-I204 PolarHBondContact O-N 3.01Å; D201-I204 PolarHBondContact O-N 3.48Å; I204-K206 PolarHBondContact O-N 3.19Å; I204-R207 PolarHBondContact O-N 2.91Å; I204-R207 VanDerWaalsContact O-N 3.15Å; I204-Y208 HydrophobicContact CG2-CD2 4.15Å; I204-Y208 PolarHBondContact O-N 3.27Å; I204-F209 HydrophobicContact CG2-CE2 4.04Å
205E92.7Very high80.4Confident68 Ų6877.6 Ų77.632%0.31837%0.368SS..Hα-helixtrans-59.4-47.3178.5-74.9170.4177.500113.4Y50 D201 R207 F209 L210Y50-E205 HydrophobicContact CE2-CG 3.8Å; Y50-E205 WeakPolarHBondContact OH-CG 3.34Å; Y50-E205 PolarHBondContact OH-OE1 3.48Å; D201-E205 WeakPolarHBondContact O-CB 3.32Å; D201-E205 VanDerWaalsContact O-CG 3.28Å; D201-E205 WeakPolarHBondContact O-CG 3.24Å; D201-E205 PolarHBondContact O-N 3.11Å; E205-R207 VanDerWaalsContact C-N 3.26Å; E205-R207 PolarHBondContact O-N 2.89Å; E205-F209 HydrophobicContact CB-CD2 4.37Å; E205-F209 HydrophobicContact CG-CD2 4Å; E205-F209 WeakPolarHBondContact O-CA 3.31Å; E205-F209 PolarHBondContact O-N 2.84Å; E205-L210 PolarHBondContact O-N 3.22Å
206K89.6Confident77.6Confident55 Ų5581.7 Ų81.724%0.23939%0.391CS..Hα-helixtrans-62.6-35.2176.9-73-80.9164.7-173.90112Q139 P141 K202 I204 L210Q139-K206 HydrophobicContact CB-CD 4.5Å; P141-K206 HydrophobicContact CG-CB 4.36Å; P141-K206 HydrophobicContact CG-CG 3.91Å; K202-K206 WeakPolarHBondContact O-CB 3.48Å; K202-K206 VanDerWaalsContact O-CG 3.24Å; K202-K206 WeakPolarHBondContact O-CG 3.27Å; K202-K206 PolarHBondContact O-N 2.74Å; I204-K206 PolarHBondContact O-N 3.19Å; K206-L210 HydrophobicContact CD-CD1 3.81Å; K206-L210 HydrophobicContact CD-CD2 4.01Å; K206-L210 HydrophobicContact CD-CG 4.4Å; K206-L210 HydrophobicContact CG-CD1 4.4Å
207R89.8Confident74.7Confident98 Ų9887.3 Ų87.337%0.3743%0.428SS..Hα-helixtrans-78.1-40.2-177.6176.656.9-177.4921.6113.6V7 N89 V203 I204 E205V7-R207 HydrophobicContact CG1-CB 4.32Å; V7-R207 HydrophobicContact CG1-CG 4.26Å; N89-R207 WeakPolarHBondContact ND2-CD 3.39Å; V203-R207 WeakPolarHBondContact O-CB 3.36Å; V203-R207 PolarHBondContact O-N 3.26Å; V203-R207 VanDerWaalsContact O-N 3.1Å; I204-R207 PolarHBondContact O-N 2.91Å; I204-R207 VanDerWaalsContact O-N 3.15Å; E205-R207 VanDerWaalsContact C-N 3.26Å; E205-R207 PolarHBondContact O-N 2.89Å
208Y88.9Confident71.7Confident53 Ų5389.1 Ų89.121%0.20845%0.452CS..Hα-helixtrans-112-34.8-167.2-71.5-76.8000114D5 R6 V7 Y60 I204D5-Y208 WeakPolarHBondContact CA-OH 3.44Å; D5-Y208 HydrophobicContact CB-CE1 4.3Å; D5-Y208 HydrophobicContact CB-CE2 4.31Å; D5-Y208 VanDerWaalsContact CB-OH 3.31Å; D5-Y208 WeakPolarHBondContact CB-OH 3.28Å; D5-Y208 VanDerWaalsContact OD1-CE1 3.29Å; D5-Y208 WeakPolarHBondContact OD1-CE1 3.31Å; D5-Y208 PolarHBondContact OD1-OH 3.16Å; R6-Y208 PolarHBondContact N-OH 2.89Å; R6-Y208 VanDerWaalsContact N-OH 3.07Å; R6-Y208 PolarHBondContact O-OH 3.39Å; V7-Y208 HydrophobicContact CG1-CD2 4.35Å; V7-Y208 HydrophobicContact CG1-CE2 3.7Å; Y60-Y208 HydrophobicContact CD1-CD2 4.47Å; Y60-Y208 HydrophobicContact CD1-CE2 4.02Å; Y60-Y208 AromaticContact CE1-CD2 3.83Å; Y60-Y208 HydrophobicContact CE1-CD2 3.83Å; Y60-Y208 AromaticContact CE1-CE2 3.71Å; Y60-Y208 HydrophobicContact CE1-CE2 3.71Å; Y60-Y208 HydrophobicContact CE1-CG 4.47Å; I204-Y208 HydrophobicContact CG2-CD2 4.15Å; I204-Y208 PolarHBondContact O-N 3.27Å
209F82.9Confident68.9Low92 Ų9291.4 Ų91.440%0.40447%0.466SS..THydrogen-bonded Turntrans-106.5-24.6-169.4-55.3-57000113.7Y50 I204 E205 R211 E212Y50-F209 HydrophobicContact CD1-CE2 4.39Å; Y50-F209 AromaticContact CE1-CE2 3.73Å; Y50-F209 HydrophobicContact CE1-CE2 3.73Å; Y50-F209 HydrophobicContact CE1-CZ 4.25Å; Y50-F209 AromaticContact CZ-CE2 3.82Å; I204-F209 HydrophobicContact CG2-CE2 4.04Å; E205-F209 HydrophobicContact CB-CD2 4.37Å; E205-F209 HydrophobicContact CG-CD2 4Å; E205-F209 WeakPolarHBondContact O-CA 3.31Å; E205-F209 PolarHBondContact O-N 2.84Å; F209-R211 PolarHBondContact O-N 3.14Å; F209-E212 PolarHBondContact O-N 3Å
210L69.1Low66.1Low102 Ų10296.8 Ų96.853%0.53450%0.501SS..THydrogen-bonded Turntrans-71.1-11.7179.4-118.299.5000114.9E205 K206E205-L210 PolarHBondContact O-N 3.22Å; K206-L210 HydrophobicContact CD-CD1 3.81Å; K206-L210 HydrophobicContact CD-CD2 4.01Å; K206-L210 HydrophobicContact CD-CG 4.4Å; K206-L210 HydrophobicContact CG-CD1 4.4Å
211R54.7Low63.2Low208 Ų208104.7 Ų104.779%0.78554%0.544SS*.THydrogen-bonded Turntrans-83.9-13179.5-76.2-170.5175.5-164.3-1.9114.3F209F209-R211 PolarHBondContact O-N 3.14Å
212E46.2Very low60.3Low158 Ų158113.5 Ų113.574%0.73858%0.575SS**G310 helixtrans-85.4-9.2-176.4-64.6-159.6150.500114.2F209 N214F209-E212 PolarHBondContact O-N 3Å; E212-N214 PolarHBondContact O-N 3.38Å
213G44.6Very low57.9Low71 Ų71117.5 Ų117.573%0.73259%0.593SS**G310 helixtrans-79.2-2-174.700000117.4
214N37Very low55Low161 Ų161127.6 Ų127.686%0.86163%0.631SS**G310 helixtrans-112.813.3-176.8-104.17.3000115.1E212 I216E212-N214 PolarHBondContact O-N 3.38Å; N214-I216 PolarHBondContact O-N 3.14Å
215Q35.6Very low52.1Low177 Ų177137.4 Ų137.483%0.82767%0.674SS**  trans-9297164.5-69-169.53800109.6
216I37.6Very low49.3Very low152 Ų152137.9 Ų137.978%0.77970%0.696SS**  trans-54.8127.4157.3-58.3170.7000106.3N214 G218N214-I216 PolarHBondContact O-N 3.14Å; I216-G218 PolarHBondContact O-N 3.36Å
217P35.3Very low46.6Very low120 Ų120140.2 Ų140.278%0.77973%0.726SS**  trans-62.2107.2176.1-16.929.9000108.3F219P217-F219 PolarHBondContact O-N 2.98Å
218G33.9Very low44Very low71 Ų71138.8 Ų138.873%0.73274%0.742SS**  trans-56.7131.2177.200000110.4I216I216-G218 PolarHBondContact O-N 3.36Å
219F35.3Very low41.6Very low197 Ų197142.5 Ų142.586%0.86477%0.77SS**  trans-42.9145.2168.9-83.4-103.1000112.3P217 D221P217-F219 PolarHBondContact O-N 2.98Å; F219-D221 PolarHBondContact O-N 3.5Å
220P37.7Very low39.4Very low117 Ų117146.6 Ų146.676%0.7680%0.795SS**  trans-67.8130.4173.828.1-30.7000109.8R222P220-R222 PolarHBondContact O-N 3.48Å
221D36.7Very low37.8Very low166 Ų166150.2 Ų150.289%0.88881%0.807SS**  trans-47.7104.6174.8-90.3-44.8000111.5F219 K223F219-D221 PolarHBondContact O-N 3.5Å; D221-K223 PolarHBondContact O-N 2.82Å; D221-K223 VanDerWaalsContact O-N 3.16Å
222R35.4Very low36.9Very low210 Ų210146 Ų14679%0.79281%0.809SS**  trans-8491.8171.5-142.3177.9-167.2-179.25.5108P220 R224P220-R222 PolarHBondContact O-N 3.48Å; R222-R224 PolarHBondContact O-N 3.2Å
223K42.4Very low36.5Very low192 Ų192144.9 Ų144.984%0.83581%0.808SS**  trans-46.5114.2157.6-78-177.5177177.20108.9D221D221-K223 PolarHBondContact O-N 2.82Å; D221-K223 VanDerWaalsContact O-N 3.16Å
224R35.8Very low35.9Very low212 Ų212148.9 Ų148.980%0.881%0.807SS**  trans-135.5125.8156.4-90.5-170174.2-179-3110.6R222R222-R224 PolarHBondContact O-N 3.2Å
225F33.8Very low35.8Very low206 Ų206151.6 Ų151.690%0.90481%0.807SS**  trans-57.2147.2178.1-79.8-107.4000113.7
226G32.6Very low36.2Very low77 Ų77153.9 Ų153.979%0.79483%0.825SS**  82.7112.9127.500000118.2
227A34Very low36.1Very low104 Ų104154 Ų15486%0.8683%0.827SS**  176119.3116.700000108.6
228G35.6Very low36.2Very low69 Ų69155.8 Ų155.871%0.71183%0.83SS**  trans-71.4172.4170.500000112.7
229T37.7Very low36.3Very low130 Ų130160.5 Ų160.580%0.79884%0.835SS**  trans123.293.7156.5-46.60000111.7
230L35.8Very low36.3Very low178 Ų178158.4 Ų158.493%0.93283%0.833SS**  trans-125104.8156.1-102.9154.7000107.6
231K36Very low36.3Very low178 Ų178160.9 Ų160.977%0.77484%0.838SS**  trans-67.3128.9169-72.5178.5173.11800108.4
232S35.6Very low36.2Very low119 Ų119160.6 Ų160.683%0.83284%0.835SS**  trans-95.5123.8159.1170.60000107.5
233L37.8Very low36.3Very low135 Ų135157.1 Ų157.171%0.70784%0.838SS**  trans-144102.5171.5-100167.3000106.9
234H32.1Very low35.8Very low155 Ų155154.4 Ų154.472%0.71884%0.838SS**  154.2116.5119.8-100.6-80.8000110.5
235Y35Very low35.8Very low218 Ų218149.6 Ų149.686%0.85584%0.841SS**  trans-89.9133.7150.1-108.4-97.2000106.3
236D43.8Very low36Very low226 Ų226144.5 Ų144.5100%1.20984%0.835SS**  trans-1470135.4-85-39.1000107

Retrieved 236 of 236 residues in 1352.4 ms (Link to these results)

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