A0A3Q0KJ50_SCHMA Loading...

Histone deacetylase

AlphaFold DB (A5H659), UniProt , Accession A0A3Q0KJ50, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 418 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
1M34.9Very low82.7Confident245 Ų24584.6 Ų84.6100%1.20743%0.429SS*.  0110.30-84.3171159.700106.8
2G54.3Low84Confident73 Ų7377.8 Ų77.875%0.75340%0.395SS*.PPolyproline II helixtrans-63.9143.8173.600000109.3D4G2-D4 PolarHBondContact O-N 3.27Å
3K62.4Low85Confident204 Ų20477.3 Ų77.389%0.88740%0.4SS*.PPolyproline II helixtrans-56.9136.3166-109.6179.4174.5179.60107.9K5K3-K5 PolarHBondContact O-N 3.42Å
4D78.5Confident85.8Confident155 Ų15574.8 Ų74.883%0.82939%0.388SS*.PPolyproline II helixtrans-53.2127.3168.1-68.8-20.2000108.6G2G2-D4 PolarHBondContact O-N 3.27Å
5K89Confident86.4Confident85 Ų8569.9 Ų69.937%0.3736%0.363SS..PPolyproline II helixtrans-68134180-71.4-75.9-173.5168.80108.6K3 V7 D127 I128 G290K3-K5 PolarHBondContact O-N 3.42Å; K5-V7 PolarHBondContact O-N 2.95Å; K5-D127 HydrophobicContact CB-CB 4.41Å; K5-D127 HydrophobicContact CD-CB 3.72Å; K5-I128 HydrophobicContact CB-CD1 4.47Å; K5-G290 PolarHBondContact NZ-O 3.28Å
6R97.4Very high86.9Confident115 Ų11565.9 Ų65.943%0.43434%0.343SS..PPolyproline II helixtrans-77.2123.7173.1-62165.8-64.3163.15.9107.8G124 V125 T126 D127 I128R6-G124 PolarHBondContact NH1-O 2.82Å; R6-G124 PolarHBondContact NH2-O 3.25Å; R6-V125 PolarHBondContact NH1-O 3.38Å; R6-V125 VanDerWaalsContact NH1-O 3.1Å; R6-T126 PolarHBondContact O-OG1 3.35Å; R6-D127 WeakPolarHBondContact CB-OD2 3.41Å; R6-D127 IonicContact CZ-OD1 3.7Å; R6-D127 IonicContact CZ-OD2 3.56Å; R6-D127 PolarHBondContact N-OD2 3.48Å; R6-D127 IonicContact NE-OD1 3.09Å; R6-D127 IonicContact NE-OD2 2.65Å; R6-D127 PolarHBondContact NE-OD2 3.39Å; R6-D127 VanDerWaalsContact NE-OD2 3.09Å; R6-D127 IonicContact NH2-OD1 3.67Å; R6-D127 PolarHBondContact NH2-OD1 3.2Å; R6-D127 IonicContact NH2-OD2 3.69Å; R6-D127 PolarHBondContact O-N 3.02Å; R6-I128 PolarHBondContact O-N 2.99Å
7V98.5Very high87.5Confident8 Ų868.8 Ų68.85%0.04836%0.359CS..EExtended strand (participates in β ladder)trans-116.7133.9179.1-172.30000109.2K5 M47 K48 I128 I130 L318K5-V7 PolarHBondContact O-N 2.95Å; V7-M47 HydrophobicContact CB-CB 4.01Å; V7-M47 HydrophobicContact CG1-CB 4.2Å; V7-M47 HydrophobicContact CG1-SD 4.47Å; V7-M47 WeakPolarHBondContact O-CB 3.27Å; V7-K48 PolarHBondContact O-N 2.78Å; V7-I128 WeakPolarHBondContact CA-O 3.28Å; V7-I128 HydrophobicContact CG1-CB 4.29Å; V7-I128 HydrophobicContact CG1-CG2 4.27Å; V7-I128 HydrophobicContact CG2-CB 4.18Å; V7-I128 HydrophobicContact CG2-CD1 4.32Å; V7-I130 HydrophobicContact CG1-CD1 3.78Å; V7-I130 HydrophobicContact CG1-CG1 4.28Å; V7-L318 HydrophobicContact CB-CD2 3.77Å; V7-L318 HydrophobicContact CG1-CD2 3.98Å; V7-L318 HydrophobicContact CG2-CD2 3.75Å
8V98.6Very high88Confident7 Ų766.2 Ų66.24%0.04235%0.345CS..EExtended strand (participates in β ladder)trans-118.7137.6172.1169.40000109.2F10 K48 Y50 Y120 T126 I128 A129 I130V8-F10 HydrophobicContact CB-CE2 4.43Å; V8-F10 HydrophobicContact CG1-CD2 3.98Å; V8-F10 HydrophobicContact CG1-CE1 4.1Å; V8-F10 HydrophobicContact CG1-CE2 3.45Å; V8-F10 VanDerWaalsContact CG1-CE2 3.45Å; V8-F10 HydrophobicContact CG1-CZ 3.53Å; V8-K48 CarbonylContact C-O 3.52Å; V8-K48 VanDerWaalsContact CA-O 3.3Å; V8-K48 WeakPolarHBondContact CA-O 3.35Å; V8-K48 HydrophobicContact CG2-CB 4.24Å; V8-Y50 HydrophobicContact CG1-CD2 3.63Å; V8-Y50 HydrophobicContact CG1-CE2 4.14Å; V8-Y50 HydrophobicContact CG2-CD2 4.42Å; V8-Y50 HydrophobicContact CG2-CE2 4.09Å; V8-Y120 HydrophobicContact CG1-CD1 4.48Å; V8-Y120 HydrophobicContact CG2-CD1 4.2Å; V8-T126 HydrophobicContact CB-CG2 4.38Å; V8-T126 HydrophobicContact CG2-CG2 4.32Å; V8-T126 WeakPolarHBondContact CG2-OG1 3.41Å; V8-T126 PolarHBondContact N-OG1 3.19Å; V8-I128 PolarHBondContact N-O 2.83Å; V8-A129 CarbonylContact O-C 3.53Å; V8-A129 WeakPolarHBondContact O-CA 3.39Å; V8-I130 PolarHBondContact O-N 3.02Å
9Y98.8Very high88.5Confident3 Ų368.1 Ų68.11%0.01235%0.351CS..EExtended strand (participates in β ladder)trans-119.6123.7173171.5-140.7000110H35 V38 M47 K48 V49 Y50 I130 W132Y9-H35 AromaticContact CE1-ND1 3.45Å; Y9-H35 WeakPolarHBondContact CE1-ND1 3.44Å; Y9-H35 AromaticContact CZ-ND1 3.9Å; Y9-V38 HydrophobicContact CD1-CG1 4.26Å; Y9-V38 HydrophobicContact CE1-CG1 3.99Å; Y9-M47 WeakPolarHBondContact CB-SD 3.49Å; Y9-M47 HydrophobicContact CD1-CE 3.5Å; Y9-M47 HydrophobicContact CD1-SD 4.4Å; Y9-M47 HydrophobicContact CE1-CE 4.38Å; Y9-M47 HydrophobicContact CG-CE 3.94Å; Y9-M47 HydrophobicContact CG-SD 4.27Å; Y9-K48 PolarHBondContact N-O 3.17Å; Y9-V49 HydrophobicContact CD1-CG1 4.12Å; Y9-V49 HydrophobicContact CD1-CG2 4.15Å; Y9-V49 VanDerWaalsContact O-CA 3.28Å; Y9-V49 WeakPolarHBondContact O-CA 3.29Å; Y9-Y50 PolarHBondContact O-N 3.02Å; Y9-I130 HydrophobicContact CD2-CB 4.08Å; Y9-I130 HydrophobicContact CD2-CG2 3.92Å; Y9-I130 HydrophobicContact CE2-CG2 4.43Å; Y9-W132 AromaticContact CE2-CD1 3.48Å; Y9-W132 VanDerWaalsContact CE2-CD1 3.48Å; Y9-W132 HydrophobicContact CE2-CG 4.38Å; Y9-W132 AromaticContact CZ-CD1 3.95Å
10F98.7Very high88.9Confident3 Ų365.1 Ų65.11%0.01334%0.335CS..EExtended strand (participates in β ladder)trans-95.2126.3175.8-65.7-80.5000110.3V8 Y50 P52 A113 Q116 A117 Y120 A129 I130V8-F10 HydrophobicContact CB-CE2 4.43Å; V8-F10 HydrophobicContact CG1-CD2 3.98Å; V8-F10 HydrophobicContact CG1-CE1 4.1Å; V8-F10 HydrophobicContact CG1-CE2 3.45Å; V8-F10 VanDerWaalsContact CG1-CE2 3.45Å; V8-F10 HydrophobicContact CG1-CZ 3.53Å; F10-Y50 WeakPolarHBondContact CA-O 3.4Å; F10-Y50 HydrophobicContact CE1-CD2 4.45Å; F10-P52 HydrophobicContact CB-CB 4.39Å; F10-P52 HydrophobicContact CD1-CB 4.02Å; F10-A113 HydrophobicContact CB-CB 3.95Å; F10-Q116 HydrophobicContact CE1-CB 3.97Å; F10-Q116 VanDerWaalsContact CE1-CD 3.5Å; F10-Q116 HydrophobicContact CE1-CG 3.61Å; F10-Q116 HydrophobicContact CZ-CB 4.11Å; F10-Q116 HydrophobicContact CZ-CG 3.83Å; F10-A117 HydrophobicContact CD2-CB 3.87Å; F10-A117 VanDerWaalsContact CE2-CA 3.49Å; F10-A117 HydrophobicContact CE2-CB 3.52Å; F10-A117 HydrophobicContact CZ-CB 4.44Å; F10-Y120 HydrophobicContact CZ-CD1 4.15Å; F10-Y120 HydrophobicContact CZ-CE1 4.25Å; F10-Y120 HydrophobicContact CZ-CG 4.27Å; F10-A129 HydrophobicContact CE2-CB 4.32Å; F10-I130 PolarHBondContact N-O 2.81Å
11Y98.5Very high89.1Confident33 Ų3362.7 Ų62.713%0.12933%0.327CS..  trans-144.2123.9178.1176.8-103000110.7P13 H35 Y50 K51Y11-P13 HydrophobicContact CE1-CB 4.38Å; Y11-P13 HydrophobicContact CE1-CG 4.18Å; Y11-H35 AromaticContact CD1-CD2 3.96Å; Y11-H35 AromaticContact CD1-CE1 3.32Å; Y11-H35 WeakPolarHBondContact CD1-CE1 3.38Å; Y11-H35 AromaticContact CD1-CG 3.76Å; Y11-H35 AromaticContact CD1-ND1 3.34Å; Y11-H35 VanDerWaalsContact CD1-ND1 3.34Å; Y11-H35 WeakPolarHBondContact CD1-ND1 3.43Å; Y11-H35 AromaticContact CD1-NE2 3.7Å; Y11-H35 HydrophobicContact CD2-CB 3.7Å; Y11-H35 AromaticContact CD2-CG 3.67Å; Y11-H35 AromaticContact CD2-ND1 3.49Å; Y11-H35 WeakPolarHBondContact CD2-ND1 3.33Å; Y11-H35 HydrophobicContact CE1-CB 4.29Å; Y11-H35 AromaticContact CE1-CD2 3.52Å; Y11-H35 AromaticContact CE1-CE1 3.69Å; Y11-H35 AromaticContact CE1-CG 3.58Å; Y11-H35 AromaticContact CE1-ND1 3.68Å; Y11-H35 AromaticContact CE1-NE2 3.59Å; Y11-H35 HydrophobicContact CE2-CB 3.31Å; Y11-H35 AromaticContact CE2-CG 3.5Å; Y11-H35 VanDerWaalsContact CE2-CG 3.5Å; Y11-H35 AromaticContact CE2-ND1 3.83Å; Y11-H35 HydrophobicContact CG-CB 4.34Å; Y11-H35 AromaticContact CG-CE1 3.65Å; Y11-H35 AromaticContact CG-CG 3.79Å; Y11-H35 AromaticContact CG-ND1 3.22Å; Y11-H35 AromaticContact CZ-CD2 3.63Å; Y11-H35 AromaticContact CZ-CG 3.44Å; Y11-H35 VanDerWaalsContact CZ-CG 3.44Å; Y11-H35 AromaticContact CZ-ND1 3.91Å; Y11-Y50 PolarHBondContact N-O 3.1Å; Y11-K51 WeakPolarHBondContact O-CA 3.36Å
12D98.1Very high91.8Very high3 Ų356 Ų562%0.01630%0.301CS..  trans-102.5125.5167.8-166.5-51.2000109.3D14 C15 K51 P52 H54 I109D12-D14 PolarHBondContact O-N 2.93Å; D12-D14 VanDerWaalsContact O-N 3.07Å; D12-D14 WeakPolarHBondContact OD1-CB 3.37Å; D12-D14 PolarHBondContact OD1-N 2.91Å; D12-C15 WeakPolarHBondContact O-CB 3.34Å; D12-C15 PolarHBondContact O-N 3.43Å; D12-C15 VanDerWaalsContact O-N 3.09Å; D12-C15 PolarHBondContact O-SG 3.32Å; D12-K51 WeakPolarHBondContact OD2-CE 3.48Å; D12-K51 IonicContact OD2-NZ 3.39Å; D12-P52 HydrophobicContact CB-CG 4.24Å; D12-H54 IonicContact OD2-CD2 2.97Å; D12-H54 IonicContact OD2-CE1 3.02Å; D12-H54 IonicContact OD2-NE2 3.16Å; D12-H54 PolarHBondContact OD2-NE2 3.34Å; D12-I109 HydrophobicContact CB-CG2 3.58Å
13P97.1Very high93.7Very high71 Ų7159.7 Ų59.746%0.46130%0.304SS..THydrogen-bonded Turntrans-54.2-24.7176.6-27.435.9000115.3Y11Y11-P13 HydrophobicContact CE1-CB 4.38Å; Y11-P13 HydrophobicContact CE1-CG 4.18Å
14D96.6Very high95.3Very high42 Ų4250.7 Ų50.723%0.22527%0.265CS..THydrogen-bonded Turntrans-82-15.3-179.2-71.9-30.7000113.6D12 G16 N17 F18 R105 I109D12-D14 PolarHBondContact O-N 2.93Å; D12-D14 VanDerWaalsContact O-N 3.07Å; D12-D14 WeakPolarHBondContact OD1-CB 3.37Å; D12-D14 PolarHBondContact OD1-N 2.91Å; D14-G16 PolarHBondContact O-N 2.93Å; D14-N17 WeakPolarHBondContact O-CB 3.49Å; D14-N17 PolarHBondContact O-N 3.44Å; D14-N17 PolarHBondContact OD1-ND2 2.98Å; D14-F18 WeakPolarHBondContact O-CD2 3.32Å; D14-F18 WeakPolarHBondContact O-CE2 3.41Å; D14-R105 IonicContact OD2-CZ 2.77Å; D14-R105 IonicContact OD2-NH1 3.79Å; D14-R105 IonicContact OD2-NH2 3.74Å; D14-R105 PolarHBondContact OD2-NH2 2.82Å; D14-I109 HydrophobicContact CB-CD1 4.11Å
15C94.4Very high96.2Very high2 Ų244.2 Ų44.21%0.01423%0.232CC..THydrogen-bonded Turntrans-59.1-25.7-172.770.80000114D12 P28 L31 I109D12-C15 WeakPolarHBondContact O-CB 3.34Å; D12-C15 PolarHBondContact O-N 3.43Å; D12-C15 VanDerWaalsContact O-N 3.09Å; D12-C15 PolarHBondContact O-SG 3.32Å; C15-P28 WeakPolarHBondContact O-CB 3.48Å; C15-L31 HydrophobicContact CB-CD1 3.86Å; C15-L31 VanDerWaalsContact SG-CB 3.56Å; C15-I109 HydrophobicContact CB-CG2 4.15Å
16G94.9Very high96.6Very high5 Ų540.4 Ų40.45%0.05222%0.215CC..THydrogen-bonded Turntrans-89.2-5178.300000115.8D14 P28 H29 T32D14-G16 PolarHBondContact O-N 2.93Å; G16-P28 WeakPolarHBondContact CA-O 3.43Å; G16-H29 WeakPolarHBondContact O-CA 3.45Å; G16-H29 PolarHBondContact O-N 3.08Å; G16-T32 WeakPolarHBondContact CA-OG1 3.14Å
17N96.5Very high96.6Very high115 Ų11537.1 Ų37.162%0.61520%0.204SC*.SBendtrans-90.6-3.2-171.9-65.2-25.5000113.7D14D14-N17 WeakPolarHBondContact O-CB 3.49Å; D14-N17 PolarHBondContact O-N 3.44Å; D14-N17 PolarHBondContact OD1-ND2 2.98Å
18F97.5Very high96.5Very high22 Ų2236.9 Ų36.910%0.09620%0.203CC..  trans-85.3148.2-179.7-58.5-84000112.1D14 P28 F100 G102 R105 F106 I109D14-F18 WeakPolarHBondContact O-CD2 3.32Å; D14-F18 WeakPolarHBondContact O-CE2 3.41Å; F18-P28 HydrophobicContact CB-CB 4.3Å; F18-P28 HydrophobicContact CB-CG 4.1Å; F18-P28 WeakPolarHBondContact O-CD 3.47Å; F18-P28 WeakPolarHBondContact O-CG 3.34Å; F18-F100 HydrophobicContact CB-CD2 4.49Å; F18-F100 HydrophobicContact CB-CE2 4Å; F18-F100 HydrophobicContact CD1-CE2 4.1Å; F18-F100 HydrophobicContact CG-CE2 4.39Å; F18-G102 VanDerWaalsContact CE1-O 3.27Å; F18-G102 WeakPolarHBondContact CE1-O 3.31Å; F18-R105 HydrophobicContact CE1-CB 4.29Å; F18-R105 HydrophobicContact CZ-CB 4.34Å; F18-R105 HydrophobicContact CZ-CG 4.22Å; F18-F106 HydrophobicContact CB-CD2 4.15Å; F18-F106 HydrophobicContact CB-CG 4.33Å; F18-F106 HydrophobicContact CD1-CB 3.7Å; F18-F106 HydrophobicContact CD1-CG 4.38Å; F18-F106 HydrophobicContact CD2-CB 3.9Å; F18-F106 AromaticContact CD2-CD2 3.25Å; F18-F106 HydrophobicContact CD2-CD2 3.25Å; F18-F106 HydrophobicContact CD2-CE2 4.08Å; F18-F106 AromaticContact CD2-CG 3.9Å; F18-F106 HydrophobicContact CD2-CG 3.9Å; F18-F106 HydrophobicContact CE1-CB 3.75Å; F18-F106 HydrophobicContact CE2-CB 3.95Å; F18-F106 AromaticContact CE2-CD2 3.68Å; F18-F106 HydrophobicContact CE2-CD2 3.68Å; F18-F106 HydrophobicContact CE2-CG 4.28Å; F18-F106 HydrophobicContact CG-CB 3.76Å; F18-F106 AromaticContact CG-CD2 3.73Å; F18-F106 HydrophobicContact CG-CD2 3.73Å; F18-F106 AromaticContact CG-CG 3.94Å; F18-F106 HydrophobicContact CG-CG 3.94Å; F18-F106 HydrophobicContact CZ-CB 3.88Å; F18-F106 HydrophobicContact CZ-CD2 4.46Å; F18-I109 HydrophobicContact CE2-CD1 3.77Å; F18-I109 HydrophobicContact CZ-CD1 3.79Å
19H96.6Very high96.5Very high102 Ų10239 Ų3947%0.47221%0.212SC..  trans-138.7105.1-174.2-178-123.9000112G21 P22 F100H19-G21 PolarHBondContact NE2-O 2.69Å; H19-G21 PolarHBondContact O-N 3.35Å; H19-G21 VanDerWaalsContact O-N 3.11Å; H19-P22 VanDerWaalsContact CE1-N 3.35Å; H19-F100 WeakPolarHBondContact O-CB 3.48Å
20Y96.1Very high96.4Very high8 Ų839.2 Ų39.23%0.03121%0.213CC..SBendtrans-63.6-16.1179.2-82.1-125.6000113.8H24 M26 P28 P98 F100 F106 F147 Y149Y20-H24 WeakPolarHBondContact CB-ND1 3.22Å; Y20-H24 AromaticContact CD1-CE1 3.35Å; Y20-H24 WeakPolarHBondContact CD1-CE1 3.43Å; Y20-H24 AromaticContact CD1-ND1 3.58Å; Y20-H24 AromaticContact CD1-NE2 3.73Å; Y20-H24 AromaticContact CG-ND1 3.82Å; Y20-M26 HydrophobicContact CD1-CB 4.08Å; Y20-M26 HydrophobicContact CD1-CG 4.35Å; Y20-M26 HydrophobicContact CD2-CB 4.43Å; Y20-M26 HydrophobicContact CD2-CG 4.1Å; Y20-M26 HydrophobicContact CE1-CB 4.22Å; Y20-M26 HydrophobicContact CE1-CG 4.13Å; Y20-M26 HydrophobicContact CE2-CG 3.89Å; Y20-M26 HydrophobicContact CG-CB 4.18Å; Y20-M26 HydrophobicContact CG-CG 4.32Å; Y20-P28 HydrophobicContact CD2-CG 4.07Å; Y20-P28 HydrophobicContact CE2-CG 4.06Å; Y20-P98 HydrophobicContact CD1-CG 4.46Å; Y20-P98 VanDerWaalsContact O-CG 3.28Å; Y20-P98 WeakPolarHBondContact O-CG 3.46Å; Y20-F100 HydrophobicContact CD1-CD1 4.34Å; Y20-F100 HydrophobicContact CD1-CE1 4.16Å; Y20-F100 AromaticContact CD2-CD1 3.96Å; Y20-F100 HydrophobicContact CD2-CD1 3.96Å; Y20-F100 AromaticContact CD2-CE1 3.65Å; Y20-F100 HydrophobicContact CD2-CE1 3.65Å; Y20-F100 AromaticContact CD2-CZ 3.99Å; Y20-F100 HydrophobicContact CD2-CZ 3.99Å; Y20-F100 HydrophobicContact CE1-CE1 4.03Å; Y20-F100 HydrophobicContact CE2-CD1 4.25Å; Y20-F100 AromaticContact CE2-CE1 3.47Å; Y20-F100 HydrophobicContact CE2-CE1 3.47Å; Y20-F100 VanDerWaalsContact CE2-CE1 3.47Å; Y20-F100 HydrophobicContact CE2-CE2 4.45Å; Y20-F100 AromaticContact CE2-CZ 3.59Å; Y20-F100 HydrophobicContact CE2-CZ 3.59Å; Y20-F100 HydrophobicContact CG-CD1 4.01Å; Y20-F100 HydrophobicContact CG-CE1 4Å; Y20-F100 AromaticContact CZ-CE1 3.68Å; Y20-F106 HydrophobicContact CE2-CD1 4.37Å; Y20-F106 AromaticContact CE2-CE1 3.95Å; Y20-F106 HydrophobicContact CE2-CE1 3.95Å; Y20-F106 WeakPolarHBondContact OH-CE1 3.28Å; Y20-F147 HydrophobicContact CE1-CB 3.98Å; Y20-F147 WeakPolarHBondContact CE1-O 3.44Å; Y20-F147 PolarHBondContact OH-O 3.15Å; Y20-Y149 AromaticContact CE1-CE2 3.65Å; Y20-Y149 HydrophobicContact CE1-CE2 3.65Å; Y20-Y149 AromaticContact CZ-CE2 3.81Å
21G94.3Very high96.4Very high15 Ų1539.4 Ų39.416%0.15521%0.214CC..  trans132.5156-176.100000112H19 N23 H24 K27H19-G21 PolarHBondContact NE2-O 2.69Å; H19-G21 PolarHBondContact O-N 3.35Å; H19-G21 VanDerWaalsContact O-N 3.11Å; G21-N23 PolarHBondContact O-N 3.35Å; G21-H24 PolarHBondContact O-N 3.05Å; G21-K27 PolarHBondContact O-NZ 2.83Å
22P91.4Very high96.4Very high104 Ų10438.4 Ų38.468%0.67521%0.211SC*.THydrogen-bonded Turntrans-59.5-43.9-169.120.8-32.1000112.8H19 K27H19-P22 VanDerWaalsContact CE1-N 3.35Å; P22-K27 PolarHBondContact O-NZ 3.04Å
23N93Very high96.4Very high151 Ų15138.3 Ų38.381%0.80721%0.21SC*.THydrogen-bonded Turntrans-89.5-9.7-177.6-62.5-28.6000113.9G21G21-N23 PolarHBondContact O-N 3.35Å
24H96.6Very high96.5Very high16 Ų1634.9 Ų34.97%0.07419%0.189CC..  trans-67.6135-176.3-165.7-81.3000110.9Y20 G21 M26 K27 D96 F147Y20-H24 WeakPolarHBondContact CB-ND1 3.22Å; Y20-H24 AromaticContact CD1-CE1 3.35Å; Y20-H24 WeakPolarHBondContact CD1-CE1 3.43Å; Y20-H24 AromaticContact CD1-ND1 3.58Å; Y20-H24 AromaticContact CD1-NE2 3.73Å; Y20-H24 AromaticContact CG-ND1 3.82Å; G21-H24 PolarHBondContact O-N 3.05Å; H24-M26 VanDerWaalsContact CE1-CB 3.42Å; H24-M26 WeakPolarHBondContact CE1-CB 3.49Å; H24-M26 VanDerWaalsContact ND1-CB 3.32Å; H24-M26 WeakPolarHBondContact ND1-CB 3.47Å; H24-M26 PolarHBondContact ND1-N 2.96Å; H24-K27 WeakPolarHBondContact O-CE 3.28Å; H24-K27 PolarHBondContact O-NZ 3.05Å; H24-D96 PolarHBondContact NE2-O 3.47Å; H24-D96 VanDerWaalsContact NE2-O 3.16Å; H24-F147 AromaticContact CE1-CD1 3.21Å; H24-F147 WeakPolarHBondContact CE1-CD1 3.29Å; H24-F147 AromaticContact CE1-CE1 3.53Å; H24-F147 AromaticContact CE1-CG 3.51Å; H24-F147 AromaticContact NE2-CD1 3.15Å; H24-F147 WeakPolarHBondContact NE2-CD1 3.25Å; H24-F147 AromaticContact NE2-CE1 3.34Å; H24-F147 VanDerWaalsContact NE2-CE1 3.34Å; H24-F147 WeakPolarHBondContact NE2-CE1 3.32Å; H24-F147 AromaticContact NE2-CG 3.93Å
25P96.8Very high96.6Very high19 Ų1934.6 Ų34.612%0.12319%0.186CC..SBendtrans-68.6-34.8-176.126.5-35.2000113.3K27 F147 L269 Y301P25-K27 PolarHBondContact O-N 3.01Å; P25-F147 HydrophobicContact CG-CE1 4.14Å; P25-F147 HydrophobicContact CG-CE2 3.66Å; P25-F147 HydrophobicContact CG-CZ 3.37Å; P25-L269 HydrophobicContact CB-CD1 3.99Å; P25-L269 HydrophobicContact CB-CG 4.46Å; P25-L269 HydrophobicContact CG-CD1 3.85Å; P25-Y301 HydrophobicContact CB-CD1 3.91Å; P25-Y301 HydrophobicContact CB-CG 4.21Å; P25-Y301 HydrophobicContact CG-CD1 4.5Å
26M97.7Very high96.7Very high4 Ų435.3 Ų35.32%0.0219%0.19CC..  trans-65.3118.9174.4-174.558.678.200111.1Y20 H24 R30 F147 Y301Y20-M26 HydrophobicContact CD1-CB 4.08Å; Y20-M26 HydrophobicContact CD1-CG 4.35Å; Y20-M26 HydrophobicContact CD2-CB 4.43Å; Y20-M26 HydrophobicContact CD2-CG 4.1Å; Y20-M26 HydrophobicContact CE1-CB 4.22Å; Y20-M26 HydrophobicContact CE1-CG 4.13Å; Y20-M26 HydrophobicContact CE2-CG 3.89Å; Y20-M26 HydrophobicContact CG-CB 4.18Å; Y20-M26 HydrophobicContact CG-CG 4.32Å; H24-M26 VanDerWaalsContact CE1-CB 3.42Å; H24-M26 WeakPolarHBondContact CE1-CB 3.49Å; H24-M26 VanDerWaalsContact ND1-CB 3.32Å; H24-M26 WeakPolarHBondContact ND1-CB 3.47Å; H24-M26 PolarHBondContact ND1-N 2.96Å; M26-R30 PolarHBondContact SD-NH2 3.44Å; M26-R30 VanDerWaalsContact SD-NH2 3.38Å; M26-F147 HydrophobicContact CB-CB 4.45Å; M26-F147 HydrophobicContact CB-CD2 4.35Å; M26-F147 HydrophobicContact CB-CG 4.45Å; M26-F147 HydrophobicContact CE-CB 4.17Å; M26-F147 HydrophobicContact CE-CD2 4.22Å; M26-Y301 HydrophobicContact CE-CE1 3.89Å
27K97.6Very high96.9Very high46 Ų4635.1 Ų35.120%0.219%0.188CC..  trans-124.495175.8-60-58.5-177.7-165.20109.9G21 P22 H24 P25 H29 R30 V303G21-K27 PolarHBondContact O-NZ 2.83Å; P22-K27 PolarHBondContact O-NZ 3.04Å; H24-K27 WeakPolarHBondContact O-CE 3.28Å; H24-K27 PolarHBondContact O-NZ 3.05Å; P25-K27 PolarHBondContact O-N 3.01Å; K27-H29 PolarHBondContact O-N 2.93Å; K27-R30 WeakPolarHBondContact O-CB 3.47Å; K27-R30 VanDerWaalsContact O-CG 3.26Å; K27-R30 WeakPolarHBondContact O-CG 3.42Å; K27-R30 PolarHBondContact O-N 3.3Å; K27-V303 HydrophobicContact CB-CG2 3.77Å; K27-V303 HydrophobicContact CG-CG2 4.09Å
28P97.8Very high97Very high3 Ų329.6 Ų29.62%0.01916%0.158CC..THydrogen-bonded Turntrans-52.6-25.1179-30.337.5000114.5C15 G16 F18 Y20 R30 L31 F106C15-P28 WeakPolarHBondContact O-CB 3.48Å; G16-P28 WeakPolarHBondContact CA-O 3.43Å; F18-P28 HydrophobicContact CB-CB 4.3Å; F18-P28 HydrophobicContact CB-CG 4.1Å; F18-P28 WeakPolarHBondContact O-CD 3.47Å; F18-P28 WeakPolarHBondContact O-CG 3.34Å; Y20-P28 HydrophobicContact CD2-CG 4.07Å; Y20-P28 HydrophobicContact CE2-CG 4.06Å; P28-R30 PolarHBondContact O-N 3.02Å; P28-L31 VanDerWaalsContact O-CB 3.26Å; P28-L31 WeakPolarHBondContact O-CB 3.48Å; P28-L31 WeakPolarHBondContact O-CG 3.49Å; P28-L31 PolarHBondContact O-N 3.37Å; P28-F106 HydrophobicContact CB-CE2 4.27Å; P28-F106 HydrophobicContact CB-CZ 4.49Å; P28-F106 HydrophobicContact CG-CE2 4.41Å; P28-F106 HydrophobicContact CG-CZ 4.26Å
29H97.5Very high97Very high51 Ų5131.1 Ų31.124%0.23617%0.169CC..THydrogen-bonded Turntrans-49.8-24171.1-169.163.6000114.6G16 K27 L31 T32 L33 Y333 F336G16-H29 WeakPolarHBondContact O-CA 3.45Å; G16-H29 PolarHBondContact O-N 3.08Å; K27-H29 PolarHBondContact O-N 2.93Å; H29-L31 PolarHBondContact O-N 3.36Å; H29-L31 VanDerWaalsContact O-N 3.12Å; H29-T32 WeakPolarHBondContact O-CB 3.43Å; H29-T32 PolarHBondContact O-N 3.04Å; H29-L33 PolarHBondContact O-N 3.2Å; H29-L33 VanDerWaalsContact O-N 3.16Å; H29-Y333 AromaticContact CE1-CE1 3.73Å; H29-Y333 AromaticContact NE2-CE1 4Å; H29-F336 AromaticContact CD2-CE1 3.83Å; H29-F336 AromaticContact CD2-CZ 3.98Å; H29-F336 AromaticContact NE2-CE1 3.81Å; H29-F336 AromaticContact NE2-CE2 4Å; H29-F336 AromaticContact NE2-CZ 3.5Å; H29-F336 WeakPolarHBondContact NE2-CZ 3.47Å
30R98Very high97.1Very high9 Ų929 Ų293%0.03416%0.162CC..Hα-helixtrans-52.6-29.5170.371.4-165.3178.5141.58.5113M26 K27 P28 T34 G298 G299 G300 V303 V306 W310M26-R30 PolarHBondContact SD-NH2 3.44Å; M26-R30 VanDerWaalsContact SD-NH2 3.38Å; K27-R30 WeakPolarHBondContact O-CB 3.47Å; K27-R30 VanDerWaalsContact O-CG 3.26Å; K27-R30 WeakPolarHBondContact O-CG 3.42Å; K27-R30 PolarHBondContact O-N 3.3Å; P28-R30 PolarHBondContact O-N 3.02Å; R30-T34 WeakPolarHBondContact O-CB 3.03Å; R30-T34 PolarHBondContact O-N 2.93Å; R30-T34 PolarHBondContact O-OG1 2.87Å; R30-G298 VanDerWaalsContact CZ-O 3.32Å; R30-G298 PolarHBondContact NH1-O 3.03Å; R30-G298 PolarHBondContact NH2-O 2.9Å; R30-G299 VanDerWaalsContact NH1-C 3.29Å; R30-G299 PolarHBondContact NH1-O 3.21Å; R30-G300 PolarHBondContact NH1-O 2.77Å; R30-V303 HydrophobicContact CB-CB 4.43Å; R30-V303 HydrophobicContact CB-CG1 3.71Å; R30-V306 HydrophobicContact CB-CB 4.41Å; R30-V306 HydrophobicContact CB-CG1 4.37Å; R30-V306 HydrophobicContact CG-CG1 4.3Å; R30-W310 HydrophobicContact CG-CZ3 4.38Å
31L98.4Very high97.2Very high7 Ų730.1 Ų30.14%0.03717%0.166CC..Hα-helixtrans-70.8-41.9177.2-61169.5000112.3C15 P28 H29 L33 T34 H35 W132 W310C15-L31 HydrophobicContact CB-CD1 3.86Å; C15-L31 VanDerWaalsContact SG-CB 3.56Å; P28-L31 VanDerWaalsContact O-CB 3.26Å; P28-L31 WeakPolarHBondContact O-CB 3.48Å; P28-L31 WeakPolarHBondContact O-CG 3.49Å; P28-L31 PolarHBondContact O-N 3.37Å; H29-L31 PolarHBondContact O-N 3.36Å; H29-L31 VanDerWaalsContact O-N 3.12Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L31-T34 PolarHBondContact O-N 3.47Å; L31-H35 WeakPolarHBondContact O-CB 3.28Å; L31-H35 PolarHBondContact O-N 2.97Å; L31-W132 HydrophobicContact CD2-CB 4.23Å; L31-W132 VanDerWaalsContact CD2-O 3.24Å; L31-W132 WeakPolarHBondContact CD2-O 3.14Å; L31-W310 HydrophobicContact CD2-CE3 4.44Å; L31-W310 HydrophobicContact CD2-CH2 4.47Å; L31-W310 HydrophobicContact CD2-CZ3 3.65Å
32T98Very high97.3Very high12 Ų1234.2 Ų34.27%0.07418%0.184CC..Hα-helixtrans-62.5-43173.5-56.30000111.1G16 H29 H35 T36 Y333G16-T32 WeakPolarHBondContact CA-OG1 3.14Å; H29-T32 WeakPolarHBondContact O-CB 3.43Å; H29-T32 PolarHBondContact O-N 3.04Å; T32-H35 PolarHBondContact O-N 3.36Å; T32-T36 WeakPolarHBondContact O-CB 3.37Å; T32-T36 PolarHBondContact O-N 3.46Å; T32-T36 PolarHBondContact O-OG1 3.28Å; T32-Y333 HydrophobicContact CG2-CE2 4.01Å
33L98.2Very high97.7Very high0 Ų029.6 Ų29.60%015%0.154CC..Hα-helixtrans-64.9-42.4176.7-62.1-168.2000111.8H29 L31 T36 L37 V303 A307 Y333 F336 F337H29-L33 PolarHBondContact O-N 3.2Å; H29-L33 VanDerWaalsContact O-N 3.16Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L33-T36 WeakPolarHBondContact O-CB 3.32Å; L33-T36 PolarHBondContact O-N 3.28Å; L33-L37 PolarHBondContact O-N 3.41Å; L33-V303 HydrophobicContact CD1-CG1 3.63Å; L33-A307 HydrophobicContact CB-CB 3.65Å; L33-Y333 VanDerWaalsContact CD2-CB 3.5Å; L33-Y333 HydrophobicContact CD2-CD1 3.74Å; L33-Y333 HydrophobicContact CD2-CD2 4.41Å; L33-Y333 HydrophobicContact CD2-CG 3.64Å; L33-F336 HydrophobicContact CD1-CB 3.83Å; L33-F336 HydrophobicContact CD1-CD1 3.81Å; L33-F336 HydrophobicContact CD1-CG 3.86Å; L33-F336 HydrophobicContact CD2-CB 4.44Å; L33-F336 HydrophobicContact CD2-CD2 4.18Å; L33-F336 HydrophobicContact CD2-CG 4.15Å; L33-F337 HydrophobicContact CB-CZ 4.33Å
34T98.6Very high97.9Very high0 Ų023.9 Ų23.90%012%0.124CC..Hα-helixtrans-57.7-53.1174.9-58.20000110.7R30 L31 T36 L37 V38 W132 A307 W310R30-T34 WeakPolarHBondContact O-CB 3.03Å; R30-T34 PolarHBondContact O-N 2.93Å; R30-T34 PolarHBondContact O-OG1 2.87Å; L31-T34 PolarHBondContact O-N 3.47Å; T34-T36 VanDerWaalsContact C-N 3.3Å; T34-T36 PolarHBondContact O-N 2.83Å; T34-L37 PolarHBondContact O-N 3.21Å; T34-V38 HydrophobicContact CG2-CG2 4.41Å; T34-V38 WeakPolarHBondContact O-CG2 3.39Å; T34-V38 PolarHBondContact O-N 3.33Å; T34-W132 HydrophobicContact CG2-CG 4.23Å; T34-A307 WeakPolarHBondContact OG1-CA 3.47Å; T34-W310 HydrophobicContact CG2-CB 3.55Å; T34-W310 HydrophobicContact CG2-CE3 4.2Å
35H98.4Very high97.9Very high36 Ų3629.1 Ų29.117%0.16715%0.153CC..Hα-helixtrans-60.8-40.6179.4-177.483.2000112Y9 Y11 L31 T32 L37 V38 V39Y9-H35 AromaticContact CE1-ND1 3.45Å; Y9-H35 WeakPolarHBondContact CE1-ND1 3.44Å; Y9-H35 AromaticContact CZ-ND1 3.9Å; Y11-H35 AromaticContact CD1-CD2 3.96Å; Y11-H35 AromaticContact CD1-CE1 3.32Å; Y11-H35 WeakPolarHBondContact CD1-CE1 3.38Å; Y11-H35 AromaticContact CD1-CG 3.76Å; Y11-H35 AromaticContact CD1-ND1 3.34Å; Y11-H35 VanDerWaalsContact CD1-ND1 3.34Å; Y11-H35 WeakPolarHBondContact CD1-ND1 3.43Å; Y11-H35 AromaticContact CD1-NE2 3.7Å; Y11-H35 HydrophobicContact CD2-CB 3.7Å; Y11-H35 AromaticContact CD2-CG 3.67Å; Y11-H35 AromaticContact CD2-ND1 3.49Å; Y11-H35 WeakPolarHBondContact CD2-ND1 3.33Å; Y11-H35 HydrophobicContact CE1-CB 4.29Å; Y11-H35 AromaticContact CE1-CD2 3.52Å; Y11-H35 AromaticContact CE1-CE1 3.69Å; Y11-H35 AromaticContact CE1-CG 3.58Å; Y11-H35 AromaticContact CE1-ND1 3.68Å; Y11-H35 AromaticContact CE1-NE2 3.59Å; Y11-H35 HydrophobicContact CE2-CB 3.31Å; Y11-H35 AromaticContact CE2-CG 3.5Å; Y11-H35 VanDerWaalsContact CE2-CG 3.5Å; Y11-H35 AromaticContact CE2-ND1 3.83Å; Y11-H35 HydrophobicContact CG-CB 4.34Å; Y11-H35 AromaticContact CG-CE1 3.65Å; Y11-H35 AromaticContact CG-CG 3.79Å; Y11-H35 AromaticContact CG-ND1 3.22Å; Y11-H35 AromaticContact CZ-CD2 3.63Å; Y11-H35 AromaticContact CZ-CG 3.44Å; Y11-H35 VanDerWaalsContact CZ-CG 3.44Å; Y11-H35 AromaticContact CZ-ND1 3.91Å; L31-H35 WeakPolarHBondContact O-CB 3.28Å; L31-H35 PolarHBondContact O-N 2.97Å; T32-H35 PolarHBondContact O-N 3.36Å; H35-L37 VanDerWaalsContact C-N 3.35Å; H35-L37 PolarHBondContact O-N 3.09Å; H35-V38 PolarHBondContact O-N 2.92Å; H35-V39 WeakPolarHBondContact NE2-CG2 3.49Å; H35-V39 WeakPolarHBondContact O-CG2 3.43Å; H35-V39 PolarHBondContact O-N 3.28Å
36T97.8Very high97.9Very high17 Ų1736 Ų3610%0.10418%0.176CC..Hα-helixtrans-57.6-47175.6-61.40000111.2T32 L33 T34 V39 N40 S331 Y333T32-T36 WeakPolarHBondContact O-CB 3.37Å; T32-T36 PolarHBondContact O-N 3.46Å; T32-T36 PolarHBondContact O-OG1 3.28Å; L33-T36 WeakPolarHBondContact O-CB 3.32Å; L33-T36 PolarHBondContact O-N 3.28Å; T34-T36 VanDerWaalsContact C-N 3.3Å; T34-T36 PolarHBondContact O-N 2.83Å; T36-V39 PolarHBondContact O-N 3.4Å; T36-N40 WeakPolarHBondContact CG2-ND2 3.37Å; T36-N40 WeakPolarHBondContact O-CB 3.01Å; T36-N40 PolarHBondContact O-N 3.46Å; T36-N40 PolarHBondContact O-ND2 3.21Å; T36-S331 VanDerWaalsContact CG2-CB 3.43Å; T36-S331 WeakPolarHBondContact CG2-OG 3.41Å; T36-Y333 HydrophobicContact CG2-CD2 3.92Å; T36-Y333 WeakPolarHBondContact OG1-CD2 3.3Å
37L98.4Very high97.9Very high0 Ų036.6 Ų36.60%018%0.179CC..Hα-helixtrans-63.9-46.7176.6-71.1-177.1000111.5L33 T34 H35 V39 N40 Y41 A307 R308 A311 L328 F337L33-L37 PolarHBondContact O-N 3.41Å; T34-L37 PolarHBondContact O-N 3.21Å; H35-L37 VanDerWaalsContact C-N 3.35Å; H35-L37 PolarHBondContact O-N 3.09Å; L37-V39 VanDerWaalsContact C-N 3.28Å; L37-V39 PolarHBondContact O-N 2.99Å; L37-N40 PolarHBondContact O-N 3.21Å; L37-Y41 HydrophobicContact CB-CD2 4.27Å; L37-Y41 HydrophobicContact CB-CE2 4.47Å; L37-Y41 HydrophobicContact CD2-CE2 4.34Å; L37-Y41 WeakPolarHBondContact O-CB 3.48Å; L37-Y41 VanDerWaalsContact O-CD2 3.25Å; L37-Y41 WeakPolarHBondContact O-CD2 3.39Å; L37-Y41 PolarHBondContact O-N 2.98Å; L37-A307 HydrophobicContact CD1-CB 4.14Å; L37-R308 HydrophobicContact CD1-CG 4.47Å; L37-A311 HydrophobicContact CB-CB 3.64Å; L37-A311 HydrophobicContact CD1-CB 4.04Å; L37-L328 HydrophobicContact CD1-CD2 4.37Å; L37-L328 HydrophobicContact CD2-CD2 4Å; L37-F337 HydrophobicContact CD1-CE1 3.79Å; L37-F337 HydrophobicContact CD1-CZ 3.65Å; L37-F337 HydrophobicContact CD2-CE2 4.25Å; L37-F337 HydrophobicContact CD2-CZ 4.06Å; L37-F337 HydrophobicContact CG-CE1 4.49Å; L37-F337 HydrophobicContact CG-CE2 4.47Å; L37-F337 HydrophobicContact CG-CZ 3.88Å
38V98.4Very high97.9Very high0 Ų040.8 Ų40.80%020%0.198CC..Hα-helixtrans-55.7-43.3178.8167.80000111.8Y9 T34 H35 L43 T44 M47 A311 T314Y9-V38 HydrophobicContact CD1-CG1 4.26Å; Y9-V38 HydrophobicContact CE1-CG1 3.99Å; T34-V38 HydrophobicContact CG2-CG2 4.41Å; T34-V38 WeakPolarHBondContact O-CG2 3.39Å; T34-V38 PolarHBondContact O-N 3.33Å; H35-V38 PolarHBondContact O-N 2.92Å; V38-L43 HydrophobicContact CG1-CB 4.16Å; V38-L43 WeakPolarHBondContact O-CB 3.45Å; V38-L43 PolarHBondContact O-N 3.44Å; V38-L43 VanDerWaalsContact O-N 3.1Å; V38-T44 HydrophobicContact CG1-CG2 4.02Å; V38-M47 HydrophobicContact CG1-CE 3.41Å; V38-M47 VanDerWaalsContact CG1-CE 3.41Å; V38-A311 HydrophobicContact CG2-CB 4.28Å; V38-T314 HydrophobicContact CG1-CG2 4.15Å; V38-T314 HydrophobicContact CG2-CG2 4.19Å
39V98Very high97.9Very high53 Ų5343.3 Ų43.332%0.32121%0.213SC..Hα-helixtrans-67.6-50.1176.2170.90000111.4H35 T36 L37 Y41 N42 T44H35-V39 WeakPolarHBondContact NE2-CG2 3.49Å; H35-V39 WeakPolarHBondContact O-CG2 3.43Å; H35-V39 PolarHBondContact O-N 3.28Å; T36-V39 PolarHBondContact O-N 3.4Å; L37-V39 VanDerWaalsContact C-N 3.28Å; L37-V39 PolarHBondContact O-N 2.99Å; V39-Y41 VanDerWaalsContact C-N 3.29Å; V39-Y41 PolarHBondContact O-N 3.38Å; V39-N42 WeakPolarHBondContact O-CA 3.24Å; V39-N42 PolarHBondContact O-N 2.95Å; V39-T44 HydrophobicContact CG2-CG2 3.94Å
40N97.9Very high98Very high59 Ų5945.3 Ų45.332%0.31622%0.219SC..Hα-helixtrans-74.5-18.4-173.4-73-73.8000113.6T36 L37 P329T36-N40 WeakPolarHBondContact CG2-ND2 3.37Å; T36-N40 WeakPolarHBondContact O-CB 3.01Å; T36-N40 PolarHBondContact O-N 3.46Å; T36-N40 PolarHBondContact O-ND2 3.21Å; L37-N40 PolarHBondContact O-N 3.21Å; N40-P329 HydrophobicContact CB-CB 3.82Å; N40-P329 HydrophobicContact CB-CG 3.51Å
41Y98.1Very high98Very high30 Ų3050.9 Ų50.912%0.11824%0.244CC..THydrogen-bonded Turntrans-80.11.1165.4-82.1-64.6000113.5L37 V39 L43 I324 S325 E327 L328 P329 L343L37-Y41 HydrophobicContact CB-CD2 4.27Å; L37-Y41 HydrophobicContact CB-CE2 4.47Å; L37-Y41 HydrophobicContact CD2-CE2 4.34Å; L37-Y41 WeakPolarHBondContact O-CB 3.48Å; L37-Y41 VanDerWaalsContact O-CD2 3.25Å; L37-Y41 WeakPolarHBondContact O-CD2 3.39Å; L37-Y41 PolarHBondContact O-N 2.98Å; V39-Y41 VanDerWaalsContact C-N 3.29Å; V39-Y41 PolarHBondContact O-N 3.38Å; Y41-L43 PolarHBondContact O-N 2.9Å; Y41-I324 HydrophobicContact CD1-CD1 3.7Å; Y41-I324 HydrophobicContact CD1-CG1 3.37Å; Y41-I324 HydrophobicContact CD2-CD1 3.83Å; Y41-I324 HydrophobicContact CD2-CG1 4.41Å; Y41-I324 HydrophobicContact CE1-CD1 3.97Å; Y41-I324 HydrophobicContact CE1-CG1 3.49Å; Y41-I324 VanDerWaalsContact CE1-CG1 3.49Å; Y41-I324 HydrophobicContact CE2-CD1 4.11Å; Y41-I324 HydrophobicContact CG-CD1 3.61Å; Y41-I324 HydrophobicContact CG-CG1 3.86Å; Y41-S325 WeakPolarHBondContact CE1-O 3.2Å; Y41-S325 PolarHBondContact OH-O 3.32Å; Y41-S325 VanDerWaalsContact OH-O 3.08Å; Y41-E327 PolarHBondContact OH-O 2.7Å; Y41-L328 HydrophobicContact CE2-CD2 4.19Å; Y41-L328 WeakPolarHBondContact OH-CA 3.24Å; Y41-L328 WeakPolarHBondContact OH-CD2 3.44Å; Y41-P329 HydrophobicContact CD1-CG 4.21Å; Y41-P329 HydrophobicContact CD2-CG 4.06Å; Y41-P329 HydrophobicContact CE1-CG 4.29Å; Y41-P329 VanDerWaalsContact CE2-CD 3.49Å; Y41-P329 HydrophobicContact CE2-CG 4.12Å; Y41-P329 HydrophobicContact CG-CG 4.11Å; Y41-L343 HydrophobicContact CE2-CD1 4.06Å
42N97.7Very high97.8Very high102 Ų10250.9 Ų50.955%0.54524%0.244SC..THydrogen-bonded Turntrans58.625-176.5-50.9-58.7000113.7V39 T44 D45V39-N42 WeakPolarHBondContact O-CA 3.24Å; V39-N42 PolarHBondContact O-N 2.95Å; N42-T44 PolarHBondContact O-N 3.48Å; N42-D45 WeakPolarHBondContact O-CB 3.47Å; N42-D45 PolarHBondContact O-N 3.15Å
43L98.2Very high97.7Very high6 Ų652.4 Ų52.43%0.03125%0.249CC..G310 helixtrans-68.5-27178.7-62.6179.5000111.5V38 Y41 D45 R46 A311 T314 A315 L318 Q320 I324V38-L43 HydrophobicContact CG1-CB 4.16Å; V38-L43 WeakPolarHBondContact O-CB 3.45Å; V38-L43 PolarHBondContact O-N 3.44Å; V38-L43 VanDerWaalsContact O-N 3.1Å; Y41-L43 PolarHBondContact O-N 2.9Å; L43-D45 PolarHBondContact O-N 3.14Å; L43-R46 PolarHBondContact O-N 3.18Å; L43-R46 VanDerWaalsContact O-N 3.15Å; L43-A311 WeakPolarHBondContact CD1-O 3.3Å; L43-T314 HydrophobicContact CB-CG2 4.27Å; L43-T314 HydrophobicContact CD1-CG2 3.9Å; L43-A315 HydrophobicContact CD1-CB 4.06Å; L43-A315 HydrophobicContact CD2-CB 3.95Å; L43-L318 HydrophobicContact CB-CD1 3.8Å; L43-L318 HydrophobicContact CD2-CD1 4.28Å; L43-L318 WeakPolarHBondContact O-CD1 3.47Å; L43-Q320 HydrophobicContact CD2-CB 4.12Å; L43-Q320 HydrophobicContact CD2-CG 4.45Å; L43-I324 HydrophobicContact CD1-CD1 4.25Å; L43-I324 HydrophobicContact CD2-CD1 4.48Å
44T97.8Very high97.6Very high31 Ų3155.6 Ų55.619%0.1926%0.264CS..G310 helixtrans-60.3-24.1175.751.30000113.4V38 V39 N42 R46 M47 V49V38-T44 HydrophobicContact CG1-CG2 4.02Å; V39-T44 HydrophobicContact CG2-CG2 3.94Å; N42-T44 PolarHBondContact O-N 3.48Å; T44-R46 PolarHBondContact O-N 3.17Å; T44-M47 HydrophobicContact CG2-CE 4.03Å; T44-M47 PolarHBondContact O-N 2.79Å; T44-V49 HydrophobicContact CG2-CG2 3.77Å
45D96.6Very high97.6Very high127 Ų12755.7 Ų55.768%0.67926%0.264SS*.G310 helixtrans-70.9-16.6180-62.6-9.7000112.5N42 L43N42-D45 WeakPolarHBondContact O-CB 3.47Å; N42-D45 PolarHBondContact O-N 3.15Å; L43-D45 PolarHBondContact O-N 3.14Å
46R96.6Very high97.6Very high163 Ų16356.3 Ų56.362%0.61527%0.272SS*.G310 helixtrans-102.3-0.6-177.9-57.7-70-166.1177.12.1113.1L43 T44 L318 Q320L43-R46 PolarHBondContact O-N 3.18Å; L43-R46 VanDerWaalsContact O-N 3.15Å; T44-R46 PolarHBondContact O-N 3.17Å; R46-L318 HydrophobicContact CB-CD1 4.24Å; R46-L318 HydrophobicContact CB-CD2 3.98Å; R46-L318 HydrophobicContact CB-CG 4.48Å; R46-Q320 HydrophobicContact CG-CG 4.37Å
47M97.8Very high97.6Very high16 Ų1657.3 Ų57.38%0.07928%0.276CS..SBendtrans-141.8171.2-177.459.3-177.7177.100112.3V7 Y9 V38 T44 V49 T314 L318V7-M47 HydrophobicContact CB-CB 4.01Å; V7-M47 HydrophobicContact CG1-CB 4.2Å; V7-M47 HydrophobicContact CG1-SD 4.47Å; V7-M47 WeakPolarHBondContact O-CB 3.27Å; Y9-M47 WeakPolarHBondContact CB-SD 3.49Å; Y9-M47 HydrophobicContact CD1-CE 3.5Å; Y9-M47 HydrophobicContact CD1-SD 4.4Å; Y9-M47 HydrophobicContact CE1-CE 4.38Å; Y9-M47 HydrophobicContact CG-CE 3.94Å; Y9-M47 HydrophobicContact CG-SD 4.27Å; V38-M47 HydrophobicContact CG1-CE 3.41Å; V38-M47 VanDerWaalsContact CG1-CE 3.41Å; T44-M47 HydrophobicContact CG2-CE 4.03Å; T44-M47 PolarHBondContact O-N 2.79Å; M47-V49 HydrophobicContact CE-CG2 4.39Å; M47-V49 HydrophobicContact CG-CG2 4.46Å; M47-T314 HydrophobicContact CE-CG2 3.85Å; M47-T314 HydrophobicContact SD-CG2 4.13Å; M47-L318 HydrophobicContact CB-CD2 3.87Å; M47-L318 HydrophobicContact CG-CD1 4.49Å; M47-L318 HydrophobicContact CG-CD2 4.41Å; M47-L318 HydrophobicContact SD-CD1 4.09Å; M47-L318 HydrophobicContact SD-CD2 4.42Å
48K98.2Very high97.6Very high134 Ų13465.3 Ų65.358%0.58331%0.311SS*.EExtended strand (participates in β ladder)trans-97.7126.1169.2-62.8-57.5-175.6-173.50109.6V7 V8 Y9 Y50V7-K48 PolarHBondContact O-N 2.78Å; V8-K48 CarbonylContact C-O 3.52Å; V8-K48 VanDerWaalsContact CA-O 3.3Å; V8-K48 WeakPolarHBondContact CA-O 3.35Å; V8-K48 HydrophobicContact CG2-CB 4.24Å; Y9-K48 PolarHBondContact N-O 3.17Å; K48-Y50 HydrophobicContact CB-CD2 4.39Å; K48-Y50 HydrophobicContact CB-CE2 3.67Å
49V98.3Very high97.6Very high57 Ų5766.6 Ų66.635%0.34532%0.318SS..EExtended strand (participates in β ladder)trans-100.5127175.2-171.50000108.6Y9 T44 M47Y9-V49 HydrophobicContact CD1-CG1 4.12Å; Y9-V49 HydrophobicContact CD1-CG2 4.15Å; Y9-V49 VanDerWaalsContact O-CA 3.28Å; Y9-V49 WeakPolarHBondContact O-CA 3.29Å; T44-V49 HydrophobicContact CG2-CG2 3.77Å; M47-V49 HydrophobicContact CE-CG2 4.39Å; M47-V49 HydrophobicContact CG-CG2 4.46Å
50Y98.1Very high97.7Very high93 Ų9364.1 Ų64.137%0.36530%0.303SS..EExtended strand (participates in β ladder)trans-123.4141.4175.5-67-70.6000110.5V8 Y9 F10 Y11 K48 Y120V8-Y50 HydrophobicContact CG1-CD2 3.63Å; V8-Y50 HydrophobicContact CG1-CE2 4.14Å; V8-Y50 HydrophobicContact CG2-CD2 4.42Å; V8-Y50 HydrophobicContact CG2-CE2 4.09Å; Y9-Y50 PolarHBondContact O-N 3.02Å; F10-Y50 WeakPolarHBondContact CA-O 3.4Å; F10-Y50 HydrophobicContact CE1-CD2 4.45Å; Y11-Y50 PolarHBondContact N-O 3.1Å; K48-Y50 HydrophobicContact CB-CD2 4.39Å; K48-Y50 HydrophobicContact CB-CE2 3.67Å; Y50-Y120 HydrophobicContact CD2-CE1 4.04Å; Y50-Y120 AromaticContact CE2-CE1 3.86Å; Y50-Y120 HydrophobicContact CE2-CE1 3.86Å
51K97.9Very high97.7Very high126 Ų12664 Ų6455%0.54830%0.302SS..PPolyproline II helixtrans-73.4122.6159.1-172.4179.6-178.5-177.60107.5Y11 D12Y11-K51 WeakPolarHBondContact O-CA 3.36Å; D12-K51 WeakPolarHBondContact OD2-CE 3.48Å; D12-K51 IonicContact OD2-NZ 3.39Å
52P94.1Very high97.7Very high7 Ų765.6 Ų65.65%0.04532%0.317CS..PPolyproline II helixtrans-73157.4179.932-36000111.3F10 D12 A113F10-P52 HydrophobicContact CB-CB 4.39Å; F10-P52 HydrophobicContact CD1-CB 4.02Å; D12-P52 HydrophobicContact CB-CG 4.24Å; P52-A113 HydrophobicContact CB-CB 3.72Å; P52-A113 HydrophobicContact CG-CB 3.79Å
53Y95.7Very high97.7Very high44 Ų4461.9 Ų61.917%0.17330%0.296CS..PPolyproline II helixtrans-71.4159.316377.2-82.3000110.1G112 L115 Q116 K119Y53-G112 CarbonylContact O-C 3.53Å; Y53-G112 VanDerWaalsContact O-CA 3.29Å; Y53-G112 WeakPolarHBondContact O-CA 3.1Å; Y53-L115 WeakPolarHBondContact OH-CD2 3.37Å; Y53-L115 WeakPolarHBondContact OH-CG 3.25Å; Y53-Q116 HydrophobicContact CD1-CB 4.01Å; Y53-Q116 HydrophobicContact CD1-CG 4.22Å; Y53-Q116 HydrophobicContact CE1-CB 3.68Å; Y53-Q116 HydrophobicContact CE1-CG 4.18Å; Y53-Q116 VanDerWaalsContact N-OE1 3.13Å; Y53-K119 PolarHBondContact OH-NZ 3.47Å
54H98.1Very high97.7Very high67 Ų6761.8 Ų61.831%0.3130%0.296SS..PPolyproline II helixtrans-87.8123.9177.4-70.2-172.1000109D12 S56 S108 I109D12-H54 IonicContact OD2-CD2 2.97Å; D12-H54 IonicContact OD2-CE1 3.02Å; D12-H54 IonicContact OD2-NE2 3.16Å; D12-H54 PolarHBondContact OD2-NE2 3.34Å; H54-S56 PolarHBondContact O-N 3.33Å; H54-S108 VanDerWaalsContact C-OG 3.27Å; H54-S108 VanDerWaalsContact CB-OG 3.3Å; H54-S108 WeakPolarHBondContact CB-OG 3.44Å; H54-I109 WeakPolarHBondContact NE2-CG1 3.4Å
55A98.4Very high97.8Very high1 Ų161 Ų611%0.00829%0.292CS..PPolyproline II helixtrans-57.3126.8179.900000110.4D59 M60 S108 T111A55-D59 HydrophobicContact CB-CB 4.03Å; A55-M60 HydrophobicContact CB-CG 4.3Å; A55-M60 WeakPolarHBondContact O-CE 3.3Å; A55-S108 WeakPolarHBondContact CB-O 3.24Å; A55-S108 PolarHBondContact N-O 3.34Å; A55-S108 PolarHBondContact N-OG 2.93Å; A55-S108 PolarHBondContact O-OG 3.48Å; A55-T111 HydrophobicContact CB-CG2 3.7Å
56S98.3Very high97.8Very high49 Ų4959.5 Ų59.534%0.34328%0.28SS..PPolyproline II helixtrans-71.8166.8175.968.50000111.1H54 K58 D59 M60H54-S56 PolarHBondContact O-N 3.33Å; S56-K58 PolarHBondContact O-N 3.19Å; S56-K58 PolarHBondContact OG-N 3.19Å; S56-D59 WeakPolarHBondContact CB-OD2 3.48Å; S56-D59 PolarHBondContact N-OD2 2.89Å; S56-D59 WeakPolarHBondContact O-CB 3.41Å; S56-D59 PolarHBondContact O-N 2.93Å; S56-D59 VanDerWaalsContact OG-CG 3.25Å; S56-D59 PolarHBondContact OG-N 3.45Å; S56-D59 PolarHBondContact OG-OD2 2.79Å; S56-M60 PolarHBondContact O-N 3.44Å; S56-M60 VanDerWaalsContact O-N 3.11Å
57M98Very high97.9Very high39 Ų3957.2 Ų57.219%0.19228%0.277CS..Hα-helixtrans-53.7-41169.1179.5164.2-84.800111.2D59 M60 I61 I69 E70 R73 Y104M57-D59 VanDerWaalsContact C-N 3.28Å; M57-D59 PolarHBondContact O-N 2.85Å; M57-M60 PolarHBondContact O-N 3.28Å; M57-I61 HydrophobicContact CG-CG2 4.19Å; M57-I61 WeakPolarHBondContact O-CG1 3.36Å; M57-I61 WeakPolarHBondContact O-CG2 3.29Å; M57-I61 PolarHBondContact O-N 3.27Å; M57-I69 HydrophobicContact CE-CG2 4.01Å; M57-I69 HydrophobicContact CG-CG2 4.17Å; M57-E70 HydrophobicContact CE-CB 4.39Å; M57-E70 HydrophobicContact CE-CG 3.7Å; M57-E70 HydrophobicContact SD-CG 4.1Å; M57-R73 HydrophobicContact CE-CB 4.29Å; M57-Y104 PolarHBondContact N-OH 2.86Å
58K98.2Very high97.9Very high168 Ų16856.4 Ų56.473%0.7327%0.273SS*.Hα-helixtrans-60-37.8177.3-175.9-178.8176-175.50112.5S56 I61S56-K58 PolarHBondContact O-N 3.19Å; S56-K58 PolarHBondContact OG-N 3.19Å; K58-I61 WeakPolarHBondContact O-CG1 3.35Å
59D98.4Very high97.9Very high27 Ų2750 Ų5014%0.14425%0.245CC..Hα-helixtrans-67.6-45.9177.2-62.3-51.5000110.6A55 S56 M57 S62 L115A55-D59 HydrophobicContact CB-CB 4.03Å; S56-D59 WeakPolarHBondContact CB-OD2 3.48Å; S56-D59 PolarHBondContact N-OD2 2.89Å; S56-D59 WeakPolarHBondContact O-CB 3.41Å; S56-D59 PolarHBondContact O-N 2.93Å; S56-D59 VanDerWaalsContact OG-CG 3.25Å; S56-D59 PolarHBondContact OG-N 3.45Å; S56-D59 PolarHBondContact OG-OD2 2.79Å; M57-D59 VanDerWaalsContact C-N 3.28Å; M57-D59 PolarHBondContact O-N 2.85Å; D59-S62 VanDerWaalsContact O-CB 3.26Å; D59-S62 WeakPolarHBondContact O-CB 3.49Å; D59-S62 PolarHBondContact O-N 3.19Å; D59-S62 PolarHBondContact O-OG 2.81Å; D59-L115 HydrophobicContact CB-CD2 3.67Å; D59-L115 WeakPolarHBondContact OD1-CD2 3.38Å
60M98.5Very high97.9Very high0 Ų050 Ų500%024%0.241CC..Hα-helixtrans-68.5-37.1-177.4-70.5-176.3-81.900113.5A55 S56 M57 S62 F63 H64 I69 Y104 T111 V150A55-M60 HydrophobicContact CB-CG 4.3Å; A55-M60 WeakPolarHBondContact O-CE 3.3Å; S56-M60 PolarHBondContact O-N 3.44Å; S56-M60 VanDerWaalsContact O-N 3.11Å; M57-M60 PolarHBondContact O-N 3.28Å; M60-S62 PolarHBondContact O-N 3.13Å; M60-F63 PolarHBondContact O-N 3.22Å; M60-H64 PolarHBondContact O-N 2.92Å; M60-H64 VanDerWaalsContact O-N 3.16Å; M60-I69 HydrophobicContact CB-CD1 3.96Å; M60-I69 HydrophobicContact CB-CG1 4.03Å; M60-I69 HydrophobicContact CB-CG2 4Å; M60-I69 HydrophobicContact CE-CG2 4.19Å; M60-I69 HydrophobicContact SD-CG2 4.43Å; M60-Y104 HydrophobicContact CE-CD2 4.15Å; M60-Y104 HydrophobicContact CE-CE1 4.21Å; M60-Y104 HydrophobicContact CE-CE2 3.32Å; M60-Y104 VanDerWaalsContact CE-OH 3.28Å; M60-Y104 WeakPolarHBondContact CE-OH 3.29Å; M60-Y104 HydrophobicContact SD-CE2 4.35Å; M60-T111 HydrophobicContact CG-CG2 4.23Å; M60-V150 HydrophobicContact CG-CG1 4.13Å; M60-V150 HydrophobicContact SD-CG1 4.3Å; M60-V150 HydrophobicContact SD-CG2 4.03Å
61I98.3Very high97.9Very high56 Ų5646 Ų4629%0.28723%0.226SC..THydrogen-bonded Turntrans-74.8-1.8177.571.2179.7000113.8M57 K58 F63 H64 Q66 I69M57-I61 HydrophobicContact CG-CG2 4.19Å; M57-I61 WeakPolarHBondContact O-CG1 3.36Å; M57-I61 WeakPolarHBondContact O-CG2 3.29Å; M57-I61 PolarHBondContact O-N 3.27Å; K58-I61 WeakPolarHBondContact O-CG1 3.35Å; I61-F63 PolarHBondContact O-N 3.34Å; I61-H64 WeakPolarHBondContact CA-O 3.47Å; I61-Q66 HydrophobicContact CG2-CB 4.13Å; I61-Q66 HydrophobicContact CG2-CG 4.45Å; I61-I69 HydrophobicContact CG2-CB 4.06Å; I61-I69 HydrophobicContact CG2-CG1 4.03Å; I61-I69 HydrophobicContact CG2-CG2 4.38Å
62S98Very high97.9Very high64 Ų6440 Ų4045%0.44820%0.2SC..THydrogen-bonded Turntrans-62.1-25.4170.968.10000112.3D59 M60D59-S62 VanDerWaalsContact O-CB 3.26Å; D59-S62 WeakPolarHBondContact O-CB 3.49Å; D59-S62 PolarHBondContact O-N 3.19Å; D59-S62 PolarHBondContact O-OG 2.81Å; M60-S62 PolarHBondContact O-N 3.13Å
63F98.6Very high98.1Very high24 Ų2445 Ų4511%0.10522%0.217CC..THydrogen-bonded Turntrans-117.5-54.6172.2171.3-124.9000112.1M60 I61 K141 N151 V154 I155 L158 A183M60-F63 PolarHBondContact O-N 3.22Å; I61-F63 PolarHBondContact O-N 3.34Å; F63-K141 HydrophobicContact CE2-CB 4.04Å; F63-K141 HydrophobicContact CE2-CG 4.46Å; F63-K141 HydrophobicContact CZ-CB 3.94Å; F63-K141 WeakPolarHBondContact O-CE 3.48Å; F63-K141 WeakPolarHBondContact O-CG 3.39Å; F63-N151 HydrophobicContact CD1-CB 4.04Å; F63-N151 HydrophobicContact CE1-CB 3.79Å; F63-V154 HydrophobicContact CB-CG1 3.94Å; F63-V154 HydrophobicContact CD1-CB 4.04Å; F63-V154 HydrophobicContact CD1-CG1 3.85Å; F63-V154 HydrophobicContact CD2-CB 4.46Å; F63-V154 HydrophobicContact CD2-CG1 3.44Å; F63-V154 VanDerWaalsContact CD2-CG1 3.44Å; F63-V154 HydrophobicContact CE1-CB 4.27Å; F63-V154 HydrophobicContact CE1-CG1 4.21Å; F63-V154 HydrophobicContact CE1-CG2 4.36Å; F63-V154 HydrophobicContact CE2-CG1 3.83Å; F63-V154 HydrophobicContact CG-CB 4.14Å; F63-V154 HydrophobicContact CG-CG1 3.45Å; F63-V154 VanDerWaalsContact CG-CG1 3.45Å; F63-V154 HydrophobicContact CZ-CG1 4.19Å; F63-V154 HydrophobicContact CZ-CG2 4.41Å; F63-I155 HydrophobicContact CB-CG1 3.92Å; F63-L158 HydrophobicContact CB-CD1 4.19Å; F63-A183 HydrophobicContact CD2-CB 4.48Å; F63-A183 HydrophobicContact CE2-CB 3.62Å; F63-A183 HydrophobicContact CZ-CB 3.84Å
64H98.6Very high98.2Very high4 Ų446.3 Ų46.32%0.01923%0.228CC..SBendtrans-74156.3-173.9-67.5-79000112.1M60 I61 Y68 I69 K140 K141 V150 N151M60-H64 PolarHBondContact O-N 2.92Å; M60-H64 VanDerWaalsContact O-N 3.16Å; I61-H64 WeakPolarHBondContact CA-O 3.47Å; H64-Y68 HydrophobicContact CB-CD1 4.19Å; H64-Y68 AromaticContact ND1-CD1 3.84Å; H64-Y68 AromaticContact ND1-CE1 3.75Å; H64-I69 HydrophobicContact CB-CD1 3.6Å; H64-I69 HydrophobicContact CB-CG1 3.61Å; H64-K140 PolarHBondContact CE1-O 2.95Å; H64-K140 PolarHBondContact ND1-O 3.33Å; H64-K141 VanDerWaalsContact CA-O 3.31Å; H64-K141 WeakPolarHBondContact CA-O 3.34Å; H64-K141 PolarHBondContact ND1-O 2.64Å; H64-V150 WeakPolarHBondContact NE2-CA 3.47Å; H64-N151 PolarHBondContact NE2-N 3.34Å
65S98.2Very high98.2Very high15 Ų1543.3 Ų43.311%0.10521%0.214CC..  trans-64.2144168.9560000111.4E67 Y68 I69 K141 F142S65-E67 VanDerWaalsContact C-N 3.3Å; S65-E67 PolarHBondContact O-N 3.47Å; S65-Y68 PolarHBondContact O-N 3.47Å; S65-Y68 WeakPolarHBondContact OG-CB 3.37Å; S65-Y68 PolarHBondContact OG-N 3.06Å; S65-I69 PolarHBondContact O-N 2.79Å; S65-K141 PolarHBondContact N-O 3.22Å; S65-K141 VanDerWaalsContact N-O 3.11Å; S65-F142 WeakPolarHBondContact OG-CD1 3.33Å
66Q98.3Very high98.1Very high95 Ų9545.3 Ų45.344%0.44423%0.226SC..Hα-helixtrans-56.9-44.5176.2-179.4174.4-30.800111.9I61 Y68 I69 E70I61-Q66 HydrophobicContact CG2-CB 4.13Å; I61-Q66 HydrophobicContact CG2-CG 4.45Å; Q66-Y68 VanDerWaalsContact C-N 3.28Å; Q66-Y68 PolarHBondContact O-N 3.43Å; Q66-I69 PolarHBondContact O-N 2.86Å; Q66-E70 HydrophobicContact CG-CG 4.21Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.31Å; Q66-E70 PolarHBondContact NE2-OE1 3.45Å; Q66-E70 WeakPolarHBondContact O-CB 3.33Å; Q66-E70 WeakPolarHBondContact O-CG 3.23Å; Q66-E70 PolarHBondContact O-N 2.82Å
67E97.8Very high98Very high115 Ų11545.9 Ų45.954%0.53723%0.229SC..Hα-helixtrans-62-36-177.4-60.878-174.300112.3S65 F71 Y91S65-E67 VanDerWaalsContact C-N 3.3Å; S65-E67 PolarHBondContact O-N 3.47Å; E67-F71 WeakPolarHBondContact O-CB 3.2Å; E67-F71 PolarHBondContact O-N 3.13Å; E67-Y91 PolarHBondContact O-OH 3.22Å
68Y98.4Very high98Very high0 Ų049.6 Ų49.60%025%0.254CS..Hα-helixtrans-70.5-42.5176.4174.6-118.1000112H64 S65 Q66 F71 L72 Y91 A144 Y149H64-Y68 HydrophobicContact CB-CD1 4.19Å; H64-Y68 AromaticContact ND1-CD1 3.84Å; H64-Y68 AromaticContact ND1-CE1 3.75Å; S65-Y68 PolarHBondContact O-N 3.47Å; S65-Y68 WeakPolarHBondContact OG-CB 3.37Å; S65-Y68 PolarHBondContact OG-N 3.06Å; Q66-Y68 VanDerWaalsContact C-N 3.28Å; Q66-Y68 PolarHBondContact O-N 3.43Å; Y68-F71 HydrophobicContact CD2-CD1 4.41Å; Y68-F71 WeakPolarHBondContact O-CB 3.44Å; Y68-F71 PolarHBondContact O-N 2.85Å; Y68-L72 HydrophobicContact CD1-CD1 4.45Å; Y68-L72 HydrophobicContact CE1-CD1 3.82Å; Y68-L72 HydrophobicContact CE1-CG 4.48Å; Y68-L72 HydrophobicContact CE2-CD1 4.25Å; Y68-L72 HydrophobicContact CE2-CD2 4.19Å; Y68-L72 HydrophobicContact CE2-CG 4.1Å; Y68-L72 WeakPolarHBondContact O-CG 3.41Å; Y68-L72 PolarHBondContact O-N 2.96Å; Y68-Y91 AromaticContact CD2-CD1 3.59Å; Y68-Y91 HydrophobicContact CD2-CD1 3.59Å; Y68-Y91 HydrophobicContact CD2-CD2 4.33Å; Y68-Y91 HydrophobicContact CD2-CE1 4.04Å; Y68-Y91 AromaticContact CD2-CG 3.74Å; Y68-Y91 HydrophobicContact CD2-CG 3.74Å; Y68-Y91 HydrophobicContact CE2-CD1 4.38Å; Y68-Y91 HydrophobicContact CE2-CG 4.23Å; Y68-Y91 HydrophobicContact CG-CD1 4.41Å; Y68-A144 WeakPolarHBondContact OH-CA 3.31Å; Y68-A144 WeakPolarHBondContact OH-CB 3.25Å; Y68-A144 PolarHBondContact OH-N 2.79Å; Y68-A144 VanDerWaalsContact OH-N 3.13Å; Y68-Y149 VanDerWaalsContact CE1-O 3.27Å; Y68-Y149 WeakPolarHBondContact CE1-O 3.34Å; Y68-Y149 PolarHBondContact OH-O 2.91Å
69I98.6Very high97.9Very high0 Ų043.7 Ų43.70%023%0.23CC..Hα-helixtrans-69.8-37177.8-61.1-55.4000111.4M57 M60 I61 H64 S65 Q66 F71 L72 R73 Y104 V150M57-I69 HydrophobicContact CE-CG2 4.01Å; M57-I69 HydrophobicContact CG-CG2 4.17Å; M60-I69 HydrophobicContact CB-CD1 3.96Å; M60-I69 HydrophobicContact CB-CG1 4.03Å; M60-I69 HydrophobicContact CB-CG2 4Å; M60-I69 HydrophobicContact CE-CG2 4.19Å; M60-I69 HydrophobicContact SD-CG2 4.43Å; I61-I69 HydrophobicContact CG2-CB 4.06Å; I61-I69 HydrophobicContact CG2-CG1 4.03Å; I61-I69 HydrophobicContact CG2-CG2 4.38Å; H64-I69 HydrophobicContact CB-CD1 3.6Å; H64-I69 HydrophobicContact CB-CG1 3.61Å; S65-I69 PolarHBondContact O-N 2.79Å; Q66-I69 PolarHBondContact O-N 2.86Å; I69-F71 VanDerWaalsContact C-N 3.34Å; I69-L72 HydrophobicContact CD1-CD1 4.29Å; I69-L72 PolarHBondContact O-N 2.94Å; I69-R73 WeakPolarHBondContact O-CB 3.39Å; I69-R73 PolarHBondContact O-N 2.88Å; I69-Y104 HydrophobicContact CG2-CE2 3.82Å; I69-V150 HydrophobicContact CD1-CG2 3.96Å
70E98.3Very high97.8Very high57 Ų5744.2 Ų44.227%0.26623%0.234SC..Hα-helixtrans-61.1-43.1170.3-73.9173.4171.400111.3M57 Q66 R73 D74M57-E70 HydrophobicContact CE-CB 4.39Å; M57-E70 HydrophobicContact CE-CG 3.7Å; M57-E70 HydrophobicContact SD-CG 4.1Å; Q66-E70 HydrophobicContact CG-CG 4.21Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.31Å; Q66-E70 PolarHBondContact NE2-OE1 3.45Å; Q66-E70 WeakPolarHBondContact O-CB 3.33Å; Q66-E70 WeakPolarHBondContact O-CG 3.23Å; Q66-E70 PolarHBondContact O-N 2.82Å; E70-R73 WeakPolarHBondContact O-CB 3.32Å; E70-R73 PolarHBondContact O-N 3.18Å; E70-D74 WeakPolarHBondContact O-CB 3.36Å; E70-D74 PolarHBondContact O-N 2.92Å
71F98.2Very high97.6Very high8 Ų851.2 Ų51.24%0.03527%0.267CS..Hα-helixtrans-57.8-50.3172.8164.5-99000112.1E67 Y68 I69 R73 D74 V75 F83 L88 Y91 I93 I99E67-F71 WeakPolarHBondContact O-CB 3.2Å; E67-F71 PolarHBondContact O-N 3.13Å; Y68-F71 HydrophobicContact CD2-CD1 4.41Å; Y68-F71 WeakPolarHBondContact O-CB 3.44Å; Y68-F71 PolarHBondContact O-N 2.85Å; I69-F71 VanDerWaalsContact C-N 3.34Å; F71-R73 VanDerWaalsContact C-N 3.26Å; F71-R73 PolarHBondContact O-N 2.92Å; F71-D74 PolarHBondContact O-N 3.3Å; F71-V75 HydrophobicContact CD2-CB 4.21Å; F71-V75 HydrophobicContact CE1-CG1 4.05Å; F71-V75 HydrophobicContact CE2-CB 3.76Å; F71-V75 HydrophobicContact CE2-CG1 4.17Å; F71-V75 HydrophobicContact CE2-CG2 3.77Å; F71-V75 HydrophobicContact CZ-CB 3.94Å; F71-V75 HydrophobicContact CZ-CG1 3.86Å; F71-V75 HydrophobicContact CZ-CG2 3.87Å; F71-V75 VanDerWaalsContact O-CB 3.29Å; F71-V75 WeakPolarHBondContact O-CB 3.46Å; F71-V75 VanDerWaalsContact O-CG1 3.25Å; F71-V75 WeakPolarHBondContact O-CG1 3.38Å; F71-V75 PolarHBondContact O-N 2.75Å; F71-F83 AromaticContact CD2-CD1 3.6Å; F71-F83 HydrophobicContact CD2-CD1 3.6Å; F71-F83 AromaticContact CD2-CE1 3.61Å; F71-F83 HydrophobicContact CD2-CE1 3.61Å; F71-F83 HydrophobicContact CD2-CG 4.39Å; F71-F83 HydrophobicContact CD2-CZ 4.4Å; F71-F83 AromaticContact CE2-CD1 3.72Å; F71-F83 HydrophobicContact CE2-CD1 3.72Å; F71-F83 HydrophobicContact CE2-CE1 4.03Å; F71-F83 HydrophobicContact CE2-CG 4.05Å; F71-L88 HydrophobicContact CE2-CD2 3.74Å; F71-L88 HydrophobicContact CZ-CD2 3.66Å; F71-Y91 HydrophobicContact CB-CD2 3.98Å; F71-Y91 HydrophobicContact CB-CE2 3.51Å; F71-Y91 AromaticContact CD1-CD2 3.37Å; F71-Y91 HydrophobicContact CD1-CD2 3.37Å; F71-Y91 AromaticContact CD1-CE2 3.87Å; F71-Y91 HydrophobicContact CD1-CE2 3.87Å; F71-Y91 HydrophobicContact CD1-CG 4.13Å; F71-Y91 AromaticContact CD2-CD2 3.89Å; F71-Y91 HydrophobicContact CD2-CD2 3.89Å; F71-Y91 AromaticContact CD2-CE2 3.94Å; F71-Y91 HydrophobicContact CD2-CE2 3.94Å; F71-Y91 AromaticContact CE1-CD2 3.78Å; F71-Y91 HydrophobicContact CE1-CD2 3.78Å; F71-Y91 HydrophobicContact CE1-CG 4.42Å; F71-Y91 HydrophobicContact CE2-CD2 4.26Å; F71-Y91 AromaticContact CG-CD2 3.43Å; F71-Y91 HydrophobicContact CG-CD2 3.43Å; F71-Y91 VanDerWaalsContact CG-CD2 3.43Å; F71-Y91 AromaticContact CG-CE2 3.47Å; F71-Y91 HydrophobicContact CG-CE2 3.47Å; F71-Y91 VanDerWaalsContact CG-CE2 3.47Å; F71-Y91 HydrophobicContact CZ-CD2 4.21Å; F71-I93 HydrophobicContact CE1-CD1 4.02Å; F71-I93 HydrophobicContact CE1-CG1 3.7Å; F71-I93 HydrophobicContact CZ-CG1 3.84Å; F71-I99 HydrophobicContact CZ-CD1 4.27Å
72L98.2Very high97.5Very high1 Ų153 Ų531%0.00528%0.281CS..Hα-helixtrans-60.8-35.7178.5-69.1-178.5000112.3Y68 I69 I103 Y104 Y149 V150Y68-L72 HydrophobicContact CD1-CD1 4.45Å; Y68-L72 HydrophobicContact CE1-CD1 3.82Å; Y68-L72 HydrophobicContact CE1-CG 4.48Å; Y68-L72 HydrophobicContact CE2-CD1 4.25Å; Y68-L72 HydrophobicContact CE2-CD2 4.19Å; Y68-L72 HydrophobicContact CE2-CG 4.1Å; Y68-L72 WeakPolarHBondContact O-CG 3.41Å; Y68-L72 PolarHBondContact O-N 2.96Å; I69-L72 HydrophobicContact CD1-CD1 4.29Å; I69-L72 PolarHBondContact O-N 2.94Å; L72-I103 HydrophobicContact CD2-CD1 4.22Å; L72-Y104 HydrophobicContact CB-CD2 4.41Å; L72-Y104 WeakPolarHBondContact O-CB 3.37Å; L72-Y149 HydrophobicContact CD2-CD1 4Å; L72-V150 HydrophobicContact CD1-CG2 3.95Å
73R98Very high97.5Very high110 Ų11051.9 Ų51.942%0.41527%0.268SS..Hα-helixtrans-63.8-44.3175.1-173.8-165.964-153.8-11.6112M57 I69 E70 F71 Y104M57-R73 HydrophobicContact CE-CB 4.29Å; I69-R73 WeakPolarHBondContact O-CB 3.39Å; I69-R73 PolarHBondContact O-N 2.88Å; E70-R73 WeakPolarHBondContact O-CB 3.32Å; E70-R73 PolarHBondContact O-N 3.18Å; F71-R73 VanDerWaalsContact C-N 3.26Å; F71-R73 PolarHBondContact O-N 2.92Å; R73-Y104 VanDerWaalsContact CA-CD2 3.45Å; R73-Y104 HydrophobicContact CB-CD1 4.41Å; R73-Y104 HydrophobicContact CB-CD2 3.6Å; R73-Y104 HydrophobicContact CB-CE2 3.69Å; R73-Y104 HydrophobicContact CB-CG 3.97Å; R73-Y104 HydrophobicContact CG-CD1 4.17Å; R73-Y104 HydrophobicContact CG-CD2 4.23Å; R73-Y104 HydrophobicContact CG-CE1 4.12Å; R73-Y104 HydrophobicContact CG-CE2 4.15Å; R73-Y104 HydrophobicContact CG-CG 4.22Å
74D97.7Very high97.3Very high72 Ų7253.8 Ų53.839%0.38528%0.283SS..Hα-helixtrans-90.3-23.9-168.4-62.6-17.3000113E70 F71 N79 F83E70-D74 WeakPolarHBondContact O-CB 3.36Å; E70-D74 PolarHBondContact O-N 2.92Å; F71-D74 PolarHBondContact O-N 3.3Å; D74-N79 PolarHBondContact O-ND2 3.43Å; D74-F83 HydrophobicContact CB-CZ 4.16Å
75V97.6Very high97.1Very high5 Ų561.9 Ų61.93%0.0332%0.318CS..  trans-78.4136-17775.70000112F71 V80 F83 I99 I103F71-V75 HydrophobicContact CD2-CB 4.21Å; F71-V75 HydrophobicContact CE1-CG1 4.05Å; F71-V75 HydrophobicContact CE2-CB 3.76Å; F71-V75 HydrophobicContact CE2-CG1 4.17Å; F71-V75 HydrophobicContact CE2-CG2 3.77Å; F71-V75 HydrophobicContact CZ-CB 3.94Å; F71-V75 HydrophobicContact CZ-CG1 3.86Å; F71-V75 HydrophobicContact CZ-CG2 3.87Å; F71-V75 VanDerWaalsContact O-CB 3.29Å; F71-V75 WeakPolarHBondContact O-CB 3.46Å; F71-V75 VanDerWaalsContact O-CG1 3.25Å; F71-V75 WeakPolarHBondContact O-CG1 3.38Å; F71-V75 PolarHBondContact O-N 2.75Å; V75-V80 HydrophobicContact CG2-CB 4.15Å; V75-V80 HydrophobicContact CG2-CG2 4.18Å; V75-F83 HydrophobicContact CB-CE2 4.07Å; V75-F83 HydrophobicContact CB-CZ 4.1Å; V75-F83 HydrophobicContact CG2-CD2 4.08Å; V75-F83 HydrophobicContact CG2-CE2 3.92Å; V75-F83 HydrophobicContact CG2-CZ 4.4Å; V75-I99 HydrophobicContact CG1-CD1 3.76Å; V75-I99 HydrophobicContact CG1-CG1 4.44Å; V75-I99 HydrophobicContact CG1-CG2 4.27Å; V75-I99 HydrophobicContact CG2-CD1 4.11Å; V75-I99 HydrophobicContact CG2-CG1 3.98Å; V75-I99 HydrophobicContact CG2-CG2 4.09Å; V75-I103 HydrophobicContact CG1-CG2 4.42Å
76T96.9Very high96.9Very high42 Ų4267.7 Ų67.726%0.25834%0.343SS..  trans-135.9162.5176.472.80000109.9T78 N79 V80 I99T76-T78 PolarHBondContact O-N 3.14Å; T76-T78 VanDerWaalsContact O-N 3.12Å; T76-T78 PolarHBondContact OG1-N 2.59Å; T76-T78 PolarHBondContact OG1-OG1 2.59Å; T76-N79 PolarHBondContact N-OD1 3.35Å; T76-N79 PolarHBondContact O-N 3.31Å; T76-N79 PolarHBondContact O-OD1 2.97Å; T76-N79 VanDerWaalsContact O-OD1 3.13Å; T76-N79 VanDerWaalsContact OG1-CG 3.25Å; T76-N79 PolarHBondContact OG1-N 3Å; T76-N79 VanDerWaalsContact OG1-N 3.16Å; T76-N79 PolarHBondContact OG1-OD1 2.94Å; T76-V80 WeakPolarHBondContact O-CB 3.2Å; T76-V80 PolarHBondContact O-N 2.98Å; T76-I99 VanDerWaalsContact C-CG2 3.48Å
77P96.1Very high96.7Very high62 Ų6268 Ų6840%0.40334%0.343SS..THydrogen-bonded Turntrans-57.4-27.1174-26.135.5000113.5I99 D101P77-I99 HydrophobicContact CG-CG2 4.32Å; P77-D101 HydrophobicContact CG-CB 4.47Å
78T96.6Very high96.6Very high116 Ų11663.9 Ų63.971%0.71233%0.325SS*.THydrogen-bonded Turntrans-82.5-33.6-178.356.60000112.7T76 H81T76-T78 PolarHBondContact O-N 3.14Å; T76-T78 VanDerWaalsContact O-N 3.12Å; T76-T78 PolarHBondContact OG1-N 2.59Å; T76-T78 PolarHBondContact OG1-OG1 2.59Å; T78-H81 PolarHBondContact O-CE1 3.12Å; T78-H81 PolarHBondContact O-ND1 3.45Å
79N97Very high96.4Very high44 Ų4470.5 Ų70.524%0.23536%0.359CS..THydrogen-bonded Turntrans-104-5.4-176.175.66.7000114.2D74 T76 H81 T82 F83D74-N79 PolarHBondContact O-ND2 3.43Å; T76-N79 PolarHBondContact N-OD1 3.35Å; T76-N79 PolarHBondContact O-N 3.31Å; T76-N79 PolarHBondContact O-OD1 2.97Å; T76-N79 VanDerWaalsContact O-OD1 3.13Å; T76-N79 VanDerWaalsContact OG1-CG 3.25Å; T76-N79 PolarHBondContact OG1-N 3Å; T76-N79 VanDerWaalsContact OG1-N 3.16Å; T76-N79 PolarHBondContact OG1-OD1 2.94Å; N79-H81 PolarHBondContact O-N 3.25Å; N79-T82 WeakPolarHBondContact O-CB 3.38Å; N79-T82 PolarHBondContact O-N 3.04Å; N79-T82 PolarHBondContact O-OG1 3Å; N79-F83 WeakPolarHBondContact OD1-CE2 3.12Å
80V95.9Very high96.3Very high38 Ų3874.7 Ų74.723%0.2339%0.385CS..G310 helixtrans-50.5-32.9-176.664.50000113.6V75 T76 T82 F83 L88 I99V75-V80 HydrophobicContact CG2-CB 4.15Å; V75-V80 HydrophobicContact CG2-CG2 4.18Å; T76-V80 WeakPolarHBondContact O-CB 3.2Å; T76-V80 PolarHBondContact O-N 2.98Å; V80-T82 VanDerWaalsContact C-N 3.25Å; V80-T82 PolarHBondContact O-N 3.5Å; V80-F83 PolarHBondContact O-N 2.95Å; V80-L88 HydrophobicContact CG2-CD1 4.07Å; V80-L88 HydrophobicContact CG2-CD2 4.05Å; V80-I99 HydrophobicContact CB-CG1 4.44Å; V80-I99 HydrophobicContact CG2-CG1 3.85Å
81H95Very high96.3Very high147 Ų14772.9 Ų72.968%0.68138%0.376SS*.G310 helixtrans-69.5-17178.369.2-87.5000114.4T78 N79T78-H81 PolarHBondContact O-CE1 3.12Å; T78-H81 PolarHBondContact O-ND1 3.45Å; N79-H81 PolarHBondContact O-N 3.25Å
82T96.7Very high96.3Very high95 Ų9575.4 Ų75.458%0.58339%0.389SS*.G310 helixtrans-83.7-14.817672.80000112.3N79 V80N79-T82 WeakPolarHBondContact O-CB 3.38Å; N79-T82 PolarHBondContact O-N 3.04Å; N79-T82 PolarHBondContact O-OG1 3Å; V80-T82 VanDerWaalsContact C-N 3.25Å; V80-T82 PolarHBondContact O-N 3.5Å
83F96Very high96.2Very high40 Ų4076.7 Ų76.718%0.17540%0.396CS..SBendtrans-79.5142176.3-72.5-98.8000110.6F71 D74 V75 N79 V80 K85 L88F71-F83 AromaticContact CD2-CD1 3.6Å; F71-F83 HydrophobicContact CD2-CD1 3.6Å; F71-F83 AromaticContact CD2-CE1 3.61Å; F71-F83 HydrophobicContact CD2-CE1 3.61Å; F71-F83 HydrophobicContact CD2-CG 4.39Å; F71-F83 HydrophobicContact CD2-CZ 4.4Å; F71-F83 AromaticContact CE2-CD1 3.72Å; F71-F83 HydrophobicContact CE2-CD1 3.72Å; F71-F83 HydrophobicContact CE2-CE1 4.03Å; F71-F83 HydrophobicContact CE2-CG 4.05Å; D74-F83 HydrophobicContact CB-CZ 4.16Å; V75-F83 HydrophobicContact CB-CE2 4.07Å; V75-F83 HydrophobicContact CB-CZ 4.1Å; V75-F83 HydrophobicContact CG2-CD2 4.08Å; V75-F83 HydrophobicContact CG2-CE2 3.92Å; V75-F83 HydrophobicContact CG2-CZ 4.4Å; N79-F83 WeakPolarHBondContact OD1-CE2 3.12Å; V80-F83 PolarHBondContact O-N 2.95Å; F83-K85 PolarHBondContact O-N 3.23Å; F83-L88 HydrophobicContact CB-CD2 4.15Å; F83-L88 HydrophobicContact CB-CG 4.39Å
84P94.7Very high95.9Very high64 Ų6473.3 Ų73.342%0.41640%0.396SS..  trans-56.1134.1175.1-23.932.9000111.6E86 K87 L88P84-E86 PolarHBondContact O-N 2.8Å; P84-K87 HydrophobicContact CB-CB 4.43Å; P84-K87 HydrophobicContact CB-CG 4.3Å; P84-K87 HydrophobicContact CG-CD 4.34Å; P84-K87 HydrophobicContact CG-CG 4.4Å; P84-K87 WeakPolarHBondContact O-CB 3.27Å; P84-K87 PolarHBondContact O-N 3.37Å; P84-L88 PolarHBondContact O-N 2.75Å
85K94.3Very high95.5Very high174 Ų17478.8 Ų78.876%0.75742%0.419SS*.Hα-helixtrans-59.1-33.7-179.5-70.9-176.5177.7-179.60112F83 K87 L88 L89F83-K85 PolarHBondContact O-N 3.23Å; K85-K87 VanDerWaalsContact C-N 3.3Å; K85-K87 PolarHBondContact O-N 2.86Å; K85-L88 PolarHBondContact O-N 3.17Å; K85-L89 PolarHBondContact O-N 3.32Å
86E94.6Very high95.3Very high136 Ų13681 Ų8164%0.63643%0.431SS*.Hα-helixtrans-63.8-36.4177-57.376.9-167.300111.5P84 T90P84-E86 PolarHBondContact O-N 2.8Å; E86-T90 WeakPolarHBondContact O-CB 3.31Å; E86-T90 PolarHBondContact O-N 2.99Å; E86-T90 PolarHBondContact O-OG1 3.49Å
87K93.4Very high95.3Very high102 Ų10279 Ų7944%0.44342%0.419SS..Hα-helixtrans-68.7-44.9174.5-76.8-165.5175.1-170.40111.4P84 K85 L89 T90 Y91P84-K87 HydrophobicContact CB-CB 4.43Å; P84-K87 HydrophobicContact CB-CG 4.3Å; P84-K87 HydrophobicContact CG-CD 4.34Å; P84-K87 HydrophobicContact CG-CG 4.4Å; P84-K87 WeakPolarHBondContact O-CB 3.27Å; P84-K87 PolarHBondContact O-N 3.37Å; K85-K87 VanDerWaalsContact C-N 3.3Å; K85-K87 PolarHBondContact O-N 2.86Å; K87-L89 VanDerWaalsContact C-N 3.27Å; K87-L89 PolarHBondContact O-N 3.35Å; K87-T90 PolarHBondContact O-N 3.24Å; K87-T90 VanDerWaalsContact O-N 3.15Å; K87-Y91 HydrophobicContact CB-CD2 4.46Å; K87-Y91 HydrophobicContact CB-CE2 4.27Å; K87-Y91 HydrophobicContact CD-CE2 4.48Å; K87-Y91 WeakPolarHBondContact O-CB 3.43Å; K87-Y91 WeakPolarHBondContact O-CD2 3.26Å; K87-Y91 PolarHBondContact O-N 3.2Å
88L95.6Very high95.4Very high29 Ų2977.4 Ų77.415%0.15241%0.408CS..Hα-helixtrans-58.9-42177.1-62.2179.2000111.4F71 V80 F83 P84 K85 Y91 N92 I93F71-L88 HydrophobicContact CE2-CD2 3.74Å; F71-L88 HydrophobicContact CZ-CD2 3.66Å; V80-L88 HydrophobicContact CG2-CD1 4.07Å; V80-L88 HydrophobicContact CG2-CD2 4.05Å; F83-L88 HydrophobicContact CB-CD2 4.15Å; F83-L88 HydrophobicContact CB-CG 4.39Å; P84-L88 PolarHBondContact O-N 2.75Å; K85-L88 PolarHBondContact O-N 3.17Å; L88-Y91 PolarHBondContact O-N 3.46Å; L88-N92 PolarHBondContact O-N 3.29Å; L88-I93 HydrophobicContact CB-CB 4.43Å; L88-I93 HydrophobicContact CD2-CB 4.35Å; L88-I93 HydrophobicContact CD2-CG2 4.34Å; L88-I93 PolarHBondContact O-N 3.29Å
89L95.6Very high95.4Very high139 Ų13973.1 Ų73.173%0.72838%0.38SS*.Hα-helixtrans-65-43.3174.9-174.766.1000112K85 K87 Y91 N92K85-L89 PolarHBondContact O-N 3.32Å; K87-L89 VanDerWaalsContact C-N 3.27Å; K87-L89 PolarHBondContact O-N 3.35Å; L89-Y91 VanDerWaalsContact C-N 3.31Å; L89-Y91 PolarHBondContact O-N 3.25Å; L89-N92 PolarHBondContact O-N 3.3Å; L89-N92 VanDerWaalsContact O-N 3.14Å
90T96.3Very high95.4Very high87 Ų8771.3 Ų71.353%0.53437%0.37SS..Hα-helixtrans-64-35.6178.9-57.90000112.3E86 K87 N92E86-T90 WeakPolarHBondContact O-CB 3.31Å; E86-T90 PolarHBondContact O-N 2.99Å; E86-T90 PolarHBondContact O-OG1 3.49Å; K87-T90 PolarHBondContact O-N 3.24Å; K87-T90 VanDerWaalsContact O-N 3.15Å; T90-N92 VanDerWaalsContact C-N 3.25Å
91Y97.9Very high95.4Very high20 Ų2075.7 Ų75.78%0.07839%0.392CS..THydrogen-bonded Turntrans-87.75.7177.7-61.2-30.4000113.2E67 Y68 F71 K87 L88 L89 I93 F142 A144E67-Y91 PolarHBondContact O-OH 3.22Å; Y68-Y91 AromaticContact CD2-CD1 3.59Å; Y68-Y91 HydrophobicContact CD2-CD1 3.59Å; Y68-Y91 HydrophobicContact CD2-CD2 4.33Å; Y68-Y91 HydrophobicContact CD2-CE1 4.04Å; Y68-Y91 AromaticContact CD2-CG 3.74Å; Y68-Y91 HydrophobicContact CD2-CG 3.74Å; Y68-Y91 HydrophobicContact CE2-CD1 4.38Å; Y68-Y91 HydrophobicContact CE2-CG 4.23Å; Y68-Y91 HydrophobicContact CG-CD1 4.41Å; F71-Y91 HydrophobicContact CB-CD2 3.98Å; F71-Y91 HydrophobicContact CB-CE2 3.51Å; F71-Y91 AromaticContact CD1-CD2 3.37Å; F71-Y91 HydrophobicContact CD1-CD2 3.37Å; F71-Y91 AromaticContact CD1-CE2 3.87Å; F71-Y91 HydrophobicContact CD1-CE2 3.87Å; F71-Y91 HydrophobicContact CD1-CG 4.13Å; F71-Y91 AromaticContact CD2-CD2 3.89Å; F71-Y91 HydrophobicContact CD2-CD2 3.89Å; F71-Y91 AromaticContact CD2-CE2 3.94Å; F71-Y91 HydrophobicContact CD2-CE2 3.94Å; F71-Y91 AromaticContact CE1-CD2 3.78Å; F71-Y91 HydrophobicContact CE1-CD2 3.78Å; F71-Y91 HydrophobicContact CE1-CG 4.42Å; F71-Y91 HydrophobicContact CE2-CD2 4.26Å; F71-Y91 AromaticContact CG-CD2 3.43Å; F71-Y91 HydrophobicContact CG-CD2 3.43Å; F71-Y91 VanDerWaalsContact CG-CD2 3.43Å; F71-Y91 AromaticContact CG-CE2 3.47Å; F71-Y91 HydrophobicContact CG-CE2 3.47Å; F71-Y91 VanDerWaalsContact CG-CE2 3.47Å; F71-Y91 HydrophobicContact CZ-CD2 4.21Å; K87-Y91 HydrophobicContact CB-CD2 4.46Å; K87-Y91 HydrophobicContact CB-CE2 4.27Å; K87-Y91 HydrophobicContact CD-CE2 4.48Å; K87-Y91 WeakPolarHBondContact O-CB 3.43Å; K87-Y91 WeakPolarHBondContact O-CD2 3.26Å; K87-Y91 PolarHBondContact O-N 3.2Å; L88-Y91 PolarHBondContact O-N 3.46Å; L89-Y91 VanDerWaalsContact C-N 3.31Å; L89-Y91 PolarHBondContact O-N 3.25Å; Y91-I93 VanDerWaalsContact C-N 3.29Å; Y91-I93 PolarHBondContact O-N 3.11Å; Y91-F142 WeakPolarHBondContact CD1-O 3.3Å; Y91-A144 PolarHBondContact O-N 3.39Å
92N97.4Very high95.5Very high60 Ų6070 Ų7032%0.32137%0.373SS..THydrogen-bonded Turntrans52.843.1-179.3-168.637.2000113.4L88 L89 T90 E143 A144L88-N92 PolarHBondContact O-N 3.29Å; L89-N92 PolarHBondContact O-N 3.3Å; L89-N92 VanDerWaalsContact O-N 3.14Å; T90-N92 VanDerWaalsContact C-N 3.25Å; N92-E143 HydrophobicContact CB-CB 3.98Å; N92-A144 VanDerWaalsContact CB-O 3.28Å; N92-A144 WeakPolarHBondContact CB-O 3.47Å; N92-A144 PolarHBondContact ND2-O 3.16Å
93I96.7Very high95.5Very high28 Ų2865.6 Ų65.614%0.14435%0.346CS..  trans-87.1126175.3-59.6-56000109.3F71 L88 Y91 I99 A144 Y149F71-I93 HydrophobicContact CE1-CD1 4.02Å; F71-I93 HydrophobicContact CE1-CG1 3.7Å; F71-I93 HydrophobicContact CZ-CG1 3.84Å; L88-I93 HydrophobicContact CB-CB 4.43Å; L88-I93 HydrophobicContact CD2-CB 4.35Å; L88-I93 HydrophobicContact CD2-CG2 4.34Å; L88-I93 PolarHBondContact O-N 3.29Å; Y91-I93 VanDerWaalsContact C-N 3.29Å; Y91-I93 PolarHBondContact O-N 3.11Å; I93-I99 HydrophobicContact CD1-CD1 3.92Å; I93-I99 HydrophobicContact CG1-CD1 4.18Å; I93-I99 HydrophobicContact CG2-CD1 3.57Å; I93-I99 HydrophobicContact CG2-CG1 3.63Å; I93-A144 HydrophobicContact CD1-CB 4.23Å; I93-Y149 HydrophobicContact CD1-CD1 4.46Å; I93-Y149 HydrophobicContact CD1-CE1 4.07Å
94G92Very high95.6Very high40 Ų4066.1 Ų66.141%0.41235%0.348SS..SBendtrans-175.9-148.4-17200000113.3C97 P98G94-C97 PolarHBondContact N-O 3.42Å; G94-C97 VanDerWaalsContact N-O 3.08Å; G94-C97 CarbonylContact O-C 3.54Å; G94-P98 VanDerWaalsContact O-CA 3.23Å; G94-P98 WeakPolarHBondContact O-CA 3.28Å; G94-P98 VanDerWaalsContact O-N 3.14Å
95E89.6Confident95.8Very high187 Ų18768.4 Ų68.487%0.87435%0.348SS*.SBendtrans-68.3-40.1178.8-175.7176.5-177.600112.2
96D93Very high95.9Very high52 Ų5260.5 Ų60.528%0.27831%0.314SS..SBendtrans-65.9-49.8175.6-175.755.6000110.9H24 P98 G146 F147H24-D96 PolarHBondContact NE2-O 3.47Å; H24-D96 VanDerWaalsContact NE2-O 3.16Å; D96-P98 VanDerWaalsContact C-CD 3.48Å; D96-P98 WeakPolarHBondContact O-CD 3.24Å; D96-G146 WeakPolarHBondContact OD2-CA 3.45Å; D96-G146 PolarHBondContact OD2-N 2.7Å; D96-F147 VanDerWaalsContact O-CD1 3.22Å; D96-F147 WeakPolarHBondContact O-CD1 3.5Å; D96-F147 WeakPolarHBondContact OD1-CD1 3.26Å; D96-F147 WeakPolarHBondContact OD1-CE1 3.45Å
97C97.2Very high96.1Very high0 Ų054 Ų540%028%0.283CS..SBendtrans-116.779.5179.1-70.80000111G94 A144 Y149G94-C97 PolarHBondContact N-O 3.42Å; G94-C97 VanDerWaalsContact N-O 3.08Å; G94-C97 CarbonylContact O-C 3.54Å; C97-A144 HydrophobicContact CB-CB 3.69Å; C97-Y149 WeakPolarHBondContact CA-OH 3.44Å; C97-Y149 HydrophobicContact CB-CE1 3.7Å
98P96.8Very high96.4Very high27 Ų2749.6 Ų49.618%0.17527%0.265CS..  trans-77.8145.5-17932.3-36.5000112.7Y20 G94 D96 F100 Y149Y20-P98 HydrophobicContact CD1-CG 4.46Å; Y20-P98 VanDerWaalsContact O-CG 3.28Å; Y20-P98 WeakPolarHBondContact O-CG 3.46Å; G94-P98 VanDerWaalsContact O-CA 3.23Å; G94-P98 WeakPolarHBondContact O-CA 3.28Å; G94-P98 VanDerWaalsContact O-N 3.14Å; D96-P98 VanDerWaalsContact C-CD 3.48Å; D96-P98 WeakPolarHBondContact O-CD 3.24Å; P98-F100 WeakPolarHBondContact O-CD1 3.16Å; P98-F100 PolarHBondContact O-N 2.91Å; P98-Y149 WeakPolarHBondContact CD-OH 3.22Å; P98-Y149 PolarHBondContact O-OH 3.4Å
99I97.6Very high96.5Very high26 Ų2648.3 Ų48.313%0.13326%0.258CS..  trans-70.1119.4169.2-55.6-51.7000109.7F71 V75 T76 P77 V80 I93 I103F71-I99 HydrophobicContact CZ-CD1 4.27Å; V75-I99 HydrophobicContact CG1-CD1 3.76Å; V75-I99 HydrophobicContact CG1-CG1 4.44Å; V75-I99 HydrophobicContact CG1-CG2 4.27Å; V75-I99 HydrophobicContact CG2-CD1 4.11Å; V75-I99 HydrophobicContact CG2-CG1 3.98Å; V75-I99 HydrophobicContact CG2-CG2 4.09Å; T76-I99 VanDerWaalsContact C-CG2 3.48Å; P77-I99 HydrophobicContact CG-CG2 4.32Å; V80-I99 HydrophobicContact CB-CG1 4.44Å; V80-I99 HydrophobicContact CG2-CG1 3.85Å; I93-I99 HydrophobicContact CD1-CD1 3.92Å; I93-I99 HydrophobicContact CG1-CD1 4.18Å; I93-I99 HydrophobicContact CG2-CD1 3.57Å; I93-I99 HydrophobicContact CG2-CG1 3.63Å; I99-I103 HydrophobicContact CD1-CD1 4.35Å
100F96.7Very high96.7Very high7 Ų741.7 Ų41.73%0.03122%0.224CC..  trans-120.7162.5172.163.5-91.5000111.4F18 H19 Y20 P98 G102 I103 F106 Y149F18-F100 HydrophobicContact CB-CD2 4.49Å; F18-F100 HydrophobicContact CB-CE2 4Å; F18-F100 HydrophobicContact CD1-CE2 4.1Å; F18-F100 HydrophobicContact CG-CE2 4.39Å; H19-F100 WeakPolarHBondContact O-CB 3.48Å; Y20-F100 HydrophobicContact CD1-CD1 4.34Å; Y20-F100 HydrophobicContact CD1-CE1 4.16Å; Y20-F100 AromaticContact CD2-CD1 3.96Å; Y20-F100 HydrophobicContact CD2-CD1 3.96Å; Y20-F100 AromaticContact CD2-CE1 3.65Å; Y20-F100 HydrophobicContact CD2-CE1 3.65Å; Y20-F100 AromaticContact CD2-CZ 3.99Å; Y20-F100 HydrophobicContact CD2-CZ 3.99Å; Y20-F100 HydrophobicContact CE1-CE1 4.03Å; Y20-F100 HydrophobicContact CE2-CD1 4.25Å; Y20-F100 AromaticContact CE2-CE1 3.47Å; Y20-F100 HydrophobicContact CE2-CE1 3.47Å; Y20-F100 VanDerWaalsContact CE2-CE1 3.47Å; Y20-F100 HydrophobicContact CE2-CE2 4.45Å; Y20-F100 AromaticContact CE2-CZ 3.59Å; Y20-F100 HydrophobicContact CE2-CZ 3.59Å; Y20-F100 HydrophobicContact CG-CD1 4.01Å; Y20-F100 HydrophobicContact CG-CE1 4Å; Y20-F100 AromaticContact CZ-CE1 3.68Å; P98-F100 WeakPolarHBondContact O-CD1 3.16Å; P98-F100 PolarHBondContact O-N 2.91Å; F100-G102 PolarHBondContact O-N 3.19Å; F100-I103 HydrophobicContact CD1-CD1 4.36Å; F100-I103 HydrophobicContact CD1-CG1 4.49Å; F100-I103 HydrophobicContact CD2-CB 4.41Å; F100-I103 HydrophobicContact CE1-CB 4.21Å; F100-I103 HydrophobicContact CE1-CD1 4.02Å; F100-I103 HydrophobicContact CE1-CG1 3.88Å; F100-I103 HydrophobicContact CE2-CB 4.09Å; F100-I103 HydrophobicContact CE2-CG1 4.47Å; F100-I103 HydrophobicContact CZ-CB 3.98Å; F100-I103 HydrophobicContact CZ-CG1 3.86Å; F100-I103 PolarHBondContact O-N 3.35Å; F100-F106 HydrophobicContact CE2-CB 4.16Å; F100-F106 HydrophobicContact CE2-CD1 4.42Å; F100-F106 HydrophobicContact CE2-CG 4.48Å; F100-F106 HydrophobicContact CZ-CB 4.28Å; F100-F106 AromaticContact CZ-CD1 3.83Å; F100-F106 HydrophobicContact CZ-CD1 3.83Å; F100-F106 HydrophobicContact CZ-CG 4.32Å; F100-Y149 HydrophobicContact CE1-CD2 4.36Å; F100-Y149 AromaticContact CE1-CE2 3.66Å; F100-Y149 HydrophobicContact CE1-CE2 3.66Å; F100-Y149 HydrophobicContact CZ-CE2 4.47Å
101D96.2Very high96.8Very high129 Ų12937.5 Ų37.569%0.6920%0.198SC*.THydrogen-bonded Turntrans-65.1129.2-178.3-168.154.1000111.7P77P77-D101 HydrophobicContact CG-CB 4.47Å
102G96.6Very high96.8Very high27 Ų2736.6 Ų36.628%0.27819%0.194SC..THydrogen-bonded Turntrans74.921.5-179.200000115.6F18 F100 Y104 R105 F106F18-G102 VanDerWaalsContact CE1-O 3.27Å; F18-G102 WeakPolarHBondContact CE1-O 3.31Å; F100-G102 PolarHBondContact O-N 3.19Å; G102-Y104 VanDerWaalsContact C-N 3.34Å; G102-Y104 PolarHBondContact O-N 2.97Å; G102-R105 WeakPolarHBondContact O-CB 3.42Å; G102-R105 PolarHBondContact O-N 3.31Å; G102-F106 PolarHBondContact O-N 3.05Å
103I97.2Very high96.9Very high3 Ų333.8 Ų33.82%0.01518%0.179CC..Hα-helixtrans-49.4-48.3177.7-171.6164.8000113.6L72 V75 I99 F100 R105 F106 S107 Y149L72-I103 HydrophobicContact CD2-CD1 4.22Å; V75-I103 HydrophobicContact CG1-CG2 4.42Å; I99-I103 HydrophobicContact CD1-CD1 4.35Å; F100-I103 HydrophobicContact CD1-CD1 4.36Å; F100-I103 HydrophobicContact CD1-CG1 4.49Å; F100-I103 HydrophobicContact CD2-CB 4.41Å; F100-I103 HydrophobicContact CE1-CB 4.21Å; F100-I103 HydrophobicContact CE1-CD1 4.02Å; F100-I103 HydrophobicContact CE1-CG1 3.88Å; F100-I103 HydrophobicContact CE2-CB 4.09Å; F100-I103 HydrophobicContact CE2-CG1 4.47Å; F100-I103 HydrophobicContact CZ-CB 3.98Å; F100-I103 HydrophobicContact CZ-CG1 3.86Å; F100-I103 PolarHBondContact O-N 3.35Å; I103-R105 VanDerWaalsContact C-N 3.34Å; I103-R105 PolarHBondContact O-N 3.34Å; I103-F106 PolarHBondContact O-N 3.13Å; I103-S107 PolarHBondContact O-N 2.98Å; I103-S107 PolarHBondContact O-OG 2.91Å; I103-Y149 HydrophobicContact CD1-CD1 3.38Å; I103-Y149 HydrophobicContact CD1-CD2 3.95Å; I103-Y149 HydrophobicContact CD1-CE1 3.23Å; I103-Y149 HydrophobicContact CD1-CE2 3.85Å; I103-Y149 HydrophobicContact CD1-CG 3.72Å; I103-Y149 VanDerWaalsContact CD1-CZ 3.49Å; I103-Y149 HydrophobicContact CG1-CD1 4.19Å; I103-Y149 HydrophobicContact CG1-CD2 4.12Å; I103-Y149 HydrophobicContact CG1-CE1 4.37Å; I103-Y149 HydrophobicContact CG1-CE2 4.34Å; I103-Y149 HydrophobicContact CG1-CG 4.04Å
104Y98.1Very high97Very high52 Ų5232.4 Ų32.420%0.20417%0.173CC..Hα-helixtrans-62.7-41.3177.3-176.7-100.4000112.4M57 M60 I69 L72 R73 G102 S107 S108M57-Y104 PolarHBondContact N-OH 2.86Å; M60-Y104 HydrophobicContact CE-CD2 4.15Å; M60-Y104 HydrophobicContact CE-CE1 4.21Å; M60-Y104 HydrophobicContact CE-CE2 3.32Å; M60-Y104 VanDerWaalsContact CE-OH 3.28Å; M60-Y104 WeakPolarHBondContact CE-OH 3.29Å; M60-Y104 HydrophobicContact SD-CE2 4.35Å; I69-Y104 HydrophobicContact CG2-CE2 3.82Å; L72-Y104 HydrophobicContact CB-CD2 4.41Å; L72-Y104 WeakPolarHBondContact O-CB 3.37Å; R73-Y104 VanDerWaalsContact CA-CD2 3.45Å; R73-Y104 HydrophobicContact CB-CD1 4.41Å; R73-Y104 HydrophobicContact CB-CD2 3.6Å; R73-Y104 HydrophobicContact CB-CE2 3.69Å; R73-Y104 HydrophobicContact CB-CG 3.97Å; R73-Y104 HydrophobicContact CG-CD1 4.17Å; R73-Y104 HydrophobicContact CG-CD2 4.23Å; R73-Y104 HydrophobicContact CG-CE1 4.12Å; R73-Y104 HydrophobicContact CG-CE2 4.15Å; R73-Y104 HydrophobicContact CG-CG 4.22Å; G102-Y104 VanDerWaalsContact C-N 3.34Å; G102-Y104 PolarHBondContact O-N 2.97Å; Y104-S107 PolarHBondContact O-N 3Å; Y104-S108 VanDerWaalsContact O-CB 3.27Å; Y104-S108 WeakPolarHBondContact O-CB 3.36Å; Y104-S108 PolarHBondContact O-N 2.91Å
105R98.1Very high97.3Very high112 Ų11230.9 Ų30.942%0.42316%0.155SC..Hα-helixtrans-66-42.7178.4-171.4176.8-177.1-146.2-7.7111.1D14 F18 G102 I103 S107 S108 I109D14-R105 IonicContact OD2-CZ 2.77Å; D14-R105 IonicContact OD2-NH1 3.79Å; D14-R105 IonicContact OD2-NH2 3.74Å; D14-R105 PolarHBondContact OD2-NH2 2.82Å; F18-R105 HydrophobicContact CE1-CB 4.29Å; F18-R105 HydrophobicContact CZ-CB 4.34Å; F18-R105 HydrophobicContact CZ-CG 4.22Å; G102-R105 WeakPolarHBondContact O-CB 3.42Å; G102-R105 PolarHBondContact O-N 3.31Å; I103-R105 VanDerWaalsContact C-N 3.34Å; I103-R105 PolarHBondContact O-N 3.34Å; R105-S107 VanDerWaalsContact C-N 3.34Å; R105-S108 PolarHBondContact O-N 3.29Å; R105-I109 HydrophobicContact CG-CD1 4.27Å; R105-I109 VanDerWaalsContact O-CG1 3.3Å; R105-I109 WeakPolarHBondContact O-CG1 3.41Å; R105-I109 PolarHBondContact O-N 3.08Å
106F98.1Very high97.7Very high8 Ų823 Ų234%0.03512%0.118CC..Hα-helixtrans-58.2-48.3172.7-179.2-120.2000111F18 Y20 P28 F100 G102 I103 S108 I109 H110 L136F18-F106 HydrophobicContact CB-CD2 4.15Å; F18-F106 HydrophobicContact CB-CG 4.33Å; F18-F106 HydrophobicContact CD1-CB 3.7Å; F18-F106 HydrophobicContact CD1-CG 4.38Å; F18-F106 HydrophobicContact CD2-CB 3.9Å; F18-F106 AromaticContact CD2-CD2 3.25Å; F18-F106 HydrophobicContact CD2-CD2 3.25Å; F18-F106 HydrophobicContact CD2-CE2 4.08Å; F18-F106 AromaticContact CD2-CG 3.9Å; F18-F106 HydrophobicContact CD2-CG 3.9Å; F18-F106 HydrophobicContact CE1-CB 3.75Å; F18-F106 HydrophobicContact CE2-CB 3.95Å; F18-F106 AromaticContact CE2-CD2 3.68Å; F18-F106 HydrophobicContact CE2-CD2 3.68Å; F18-F106 HydrophobicContact CE2-CG 4.28Å; F18-F106 HydrophobicContact CG-CB 3.76Å; F18-F106 AromaticContact CG-CD2 3.73Å; F18-F106 HydrophobicContact CG-CD2 3.73Å; F18-F106 AromaticContact CG-CG 3.94Å; F18-F106 HydrophobicContact CG-CG 3.94Å; F18-F106 HydrophobicContact CZ-CB 3.88Å; F18-F106 HydrophobicContact CZ-CD2 4.46Å; Y20-F106 HydrophobicContact CE2-CD1 4.37Å; Y20-F106 AromaticContact CE2-CE1 3.95Å; Y20-F106 HydrophobicContact CE2-CE1 3.95Å; Y20-F106 WeakPolarHBondContact OH-CE1 3.28Å; P28-F106 HydrophobicContact CB-CE2 4.27Å; P28-F106 HydrophobicContact CB-CZ 4.49Å; P28-F106 HydrophobicContact CG-CE2 4.41Å; P28-F106 HydrophobicContact CG-CZ 4.26Å; F100-F106 HydrophobicContact CE2-CB 4.16Å; F100-F106 HydrophobicContact CE2-CD1 4.42Å; F100-F106 HydrophobicContact CE2-CG 4.48Å; F100-F106 HydrophobicContact CZ-CB 4.28Å; F100-F106 AromaticContact CZ-CD1 3.83Å; F100-F106 HydrophobicContact CZ-CD1 3.83Å; F100-F106 HydrophobicContact CZ-CG 4.32Å; G102-F106 PolarHBondContact O-N 3.05Å; I103-F106 PolarHBondContact O-N 3.13Å; F106-S108 VanDerWaalsContact C-N 3.31Å; F106-S108 PolarHBondContact O-N 3.28Å; F106-I109 PolarHBondContact O-N 3.41Å; F106-H110 PolarHBondContact O-CD2 2.77Å; F106-H110 PolarHBondContact O-N 3Å; F106-L136 HydrophobicContact CE1-CD1 4.49Å
107S98.4Very high98Very high0 Ų020.5 Ų20.50%011%0.105CC..Hα-helixtrans-59.7-41.3177.2-690000113.3I103 Y104 R105 H110 T111I103-S107 PolarHBondContact O-N 2.98Å; I103-S107 PolarHBondContact O-OG 2.91Å; Y104-S107 PolarHBondContact O-N 3Å; R105-S107 VanDerWaalsContact C-N 3.34Å; S107-H110 VanDerWaalsContact CA-NE2 3.34Å; S107-H110 WeakPolarHBondContact CA-NE2 3.36Å; S107-T111 WeakPolarHBondContact O-CB 3.14Å; S107-T111 PolarHBondContact O-N 3.3Å; S107-T111 VanDerWaalsContact O-N 3.12Å; S107-T111 PolarHBondContact O-OG1 3.44Å
108S98.6Very high98.1Very high9 Ų920.5 Ų20.56%0.06311%0.105CC..Hα-helixtrans-64.5-41.7177.7-176.20000112.4H54 A55 Y104 R105 F106 G112H54-S108 VanDerWaalsContact C-OG 3.27Å; H54-S108 VanDerWaalsContact CB-OG 3.3Å; H54-S108 WeakPolarHBondContact CB-OG 3.44Å; A55-S108 WeakPolarHBondContact CB-O 3.24Å; A55-S108 PolarHBondContact N-O 3.34Å; A55-S108 PolarHBondContact N-OG 2.93Å; A55-S108 PolarHBondContact O-OG 3.48Å; Y104-S108 VanDerWaalsContact O-CB 3.27Å; Y104-S108 WeakPolarHBondContact O-CB 3.36Å; Y104-S108 PolarHBondContact O-N 2.91Å; R105-S108 PolarHBondContact O-N 3.29Å; F106-S108 VanDerWaalsContact C-N 3.31Å; F106-S108 PolarHBondContact O-N 3.28Å; S108-G112 PolarHBondContact O-N 3.05Å
109I98.6Very high98.1Very high1 Ų119.8 Ų19.81%0.00510%0.099CC..Hα-helixtrans-61.1-56.9179-73163.3000111.3D12 D14 C15 F18 H54 R105 F106 T111 G112 A113D12-I109 HydrophobicContact CB-CG2 3.58Å; D14-I109 HydrophobicContact CB-CD1 4.11Å; C15-I109 HydrophobicContact CB-CG2 4.15Å; F18-I109 HydrophobicContact CE2-CD1 3.77Å; F18-I109 HydrophobicContact CZ-CD1 3.79Å; H54-I109 WeakPolarHBondContact NE2-CG1 3.4Å; R105-I109 HydrophobicContact CG-CD1 4.27Å; R105-I109 VanDerWaalsContact O-CG1 3.3Å; R105-I109 WeakPolarHBondContact O-CG1 3.41Å; R105-I109 PolarHBondContact O-N 3.08Å; F106-I109 PolarHBondContact O-N 3.41Å; I109-T111 VanDerWaalsContact C-N 3.33Å; I109-T111 PolarHBondContact O-N 2.75Å; I109-G112 PolarHBondContact O-N 3.08Å; I109-A113 PolarHBondContact O-N 2.76Å; I109-A113 VanDerWaalsContact O-N 3.1Å
110H98.5Very high98.2Very high0 Ų019.2 Ų19.20%010%0.095CC..Hα-helixtrans-70.6-32.8-173.972.273.3000112F106 S107 S114 N131 S133 L136 V150 D152F106-H110 PolarHBondContact O-CD2 2.77Å; F106-H110 PolarHBondContact O-N 3Å; S107-H110 VanDerWaalsContact CA-NE2 3.34Å; S107-H110 WeakPolarHBondContact CA-NE2 3.36Å; H110-S114 PolarHBondContact O-N 2.72Å; H110-S114 VanDerWaalsContact O-N 3.15Å; H110-S114 PolarHBondContact O-OG 2.87Å; H110-N131 PolarHBondContact O-ND2 2.88Å; H110-S133 WeakPolarHBondContact CA-OG 3.5Å; H110-S133 WeakPolarHBondContact CB-O 3.5Å; H110-S133 WeakPolarHBondContact CB-OG 3.1Å; H110-L136 VanDerWaalsContact NE2-CD1 3.26Å; H110-L136 WeakPolarHBondContact NE2-CD1 3.23Å; H110-V150 PolarHBondContact CE1-O 3.26Å; H110-D152 IonicContact ND1-OD1 3.97Å
111T98.8Very high98.3Very high0 Ų019.4 Ų19.40%010%0.096CC..Hα-helixtrans-69.5-42.4176.6-570000111.3A55 M60 S107 I109 A113 S114 L115 V150 I155A55-T111 HydrophobicContact CB-CG2 3.7Å; M60-T111 HydrophobicContact CG-CG2 4.23Å; S107-T111 WeakPolarHBondContact O-CB 3.14Å; S107-T111 PolarHBondContact O-N 3.3Å; S107-T111 VanDerWaalsContact O-N 3.12Å; S107-T111 PolarHBondContact O-OG1 3.44Å; I109-T111 VanDerWaalsContact C-N 3.33Å; I109-T111 PolarHBondContact O-N 2.75Å; T111-A113 VanDerWaalsContact C-N 3.3Å; T111-A113 PolarHBondContact O-N 3.15Å; T111-S114 PolarHBondContact O-N 3.44Å; T111-L115 VanDerWaalsContact O-CB 3.28Å; T111-L115 WeakPolarHBondContact O-CB 3.45Å; T111-L115 PolarHBondContact O-N 2.96Å; T111-V150 HydrophobicContact CG2-CG1 4.24Å; T111-V150 VanDerWaalsContact OG1-CG1 3.26Å; T111-V150 WeakPolarHBondContact OG1-CG1 3.36Å; T111-I155 HydrophobicContact CG2-CB 4.43Å; T111-I155 HydrophobicContact CG2-CD1 3.6Å; T111-I155 HydrophobicContact CG2-CG2 4.2Å
112G98.7Very high98.3Very high0 Ų014.3 Ų14.30%07%0.069CC..Hα-helixtrans-62.9-39.5178.100000111.8Y53 S108 I109 L115 Q116Y53-G112 CarbonylContact O-C 3.53Å; Y53-G112 VanDerWaalsContact O-CA 3.29Å; Y53-G112 WeakPolarHBondContact O-CA 3.1Å; S108-G112 PolarHBondContact O-N 3.05Å; I109-G112 PolarHBondContact O-N 3.08Å; G112-L115 PolarHBondContact O-N 3.41Å; G112-Q116 VanDerWaalsContact O-CB 3.28Å; G112-Q116 WeakPolarHBondContact O-CB 3.24Å; G112-Q116 PolarHBondContact O-N 2.83Å
113A98.7Very high98.4Very high1 Ų115.9 Ų15.91%0.0087%0.071CC..Hα-helixtrans-60.7-51.5173.400000113.1F10 P52 I109 T111 L115 Q116 A117 N131F10-A113 HydrophobicContact CB-CB 3.95Å; P52-A113 HydrophobicContact CB-CB 3.72Å; P52-A113 HydrophobicContact CG-CB 3.79Å; I109-A113 PolarHBondContact O-N 2.76Å; I109-A113 VanDerWaalsContact O-N 3.1Å; T111-A113 VanDerWaalsContact C-N 3.3Å; T111-A113 PolarHBondContact O-N 3.15Å; A113-L115 VanDerWaalsContact C-N 3.34Å; A113-L115 PolarHBondContact O-N 2.85Å; A113-Q116 PolarHBondContact O-N 3.48Å; A113-A117 VanDerWaalsContact O-CB 3.27Å; A113-A117 WeakPolarHBondContact O-CB 3.42Å; A113-A117 PolarHBondContact O-N 2.92Å; A113-N131 HydrophobicContact CB-CB 4.23Å; A113-N131 VanDerWaalsContact CB-CG 3.43Å; A113-N131 WeakPolarHBondContact CB-ND2 3.27Å; A113-N131 WeakPolarHBondContact CB-OD1 3.46Å
114S98.9Very high98.3Very high0 Ų017.6 Ų17.60%09%0.089CC..Hα-helixtrans-63.6-38.9177.8-68.80000112.2H110 T111 A117 A118 N131 D152H110-S114 PolarHBondContact O-N 2.72Å; H110-S114 VanDerWaalsContact O-N 3.15Å; H110-S114 PolarHBondContact O-OG 2.87Å; T111-S114 PolarHBondContact O-N 3.44Å; S114-A117 WeakPolarHBondContact O-CB 3.4Å; S114-A117 PolarHBondContact O-N 2.82Å; S114-A118 PolarHBondContact O-N 2.96Å; S114-N131 PolarHBondContact N-ND2 2.85Å; S114-N131 PolarHBondContact OG-ND2 2.79Å; S114-D152 WeakPolarHBondContact CB-OD2 3.49Å; S114-D152 PolarHBondContact OG-OD2 3.47Å
115L98.7Very high98.3Very high7 Ų717.6 Ų17.64%0.0379%0.094CC..Hα-helixtrans-70.2-39.9178.3-175.255000112.1Y53 D59 T111 G112 A113 A117 A118 K119 I155 E159Y53-L115 WeakPolarHBondContact OH-CD2 3.37Å; Y53-L115 WeakPolarHBondContact OH-CG 3.25Å; D59-L115 HydrophobicContact CB-CD2 3.67Å; D59-L115 WeakPolarHBondContact OD1-CD2 3.38Å; T111-L115 VanDerWaalsContact O-CB 3.28Å; T111-L115 WeakPolarHBondContact O-CB 3.45Å; T111-L115 PolarHBondContact O-N 2.96Å; G112-L115 PolarHBondContact O-N 3.41Å; A113-L115 VanDerWaalsContact C-N 3.34Å; A113-L115 PolarHBondContact O-N 2.85Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-A118 PolarHBondContact O-N 3.34Å; L115-K119 WeakPolarHBondContact O-CG 3.42Å; L115-K119 PolarHBondContact O-N 3.39Å; L115-I155 HydrophobicContact CD1-CG2 4.2Å; L115-I155 HydrophobicContact CD2-CG2 4.11Å; L115-E159 HydrophobicContact CD1-CB 3.48Å; L115-E159 VanDerWaalsContact CD1-CB 3.48Å; L115-E159 HydrophobicContact CD1-CG 3.7Å
116Q98.5Very high98.3Very high22 Ų2212.3 Ų12.310%0.1038%0.075CC..Hα-helixtrans-63.8-40.8173.1-165.7167-2.500111.4F10 Y53 G112 A113 K119 Y120F10-Q116 HydrophobicContact CE1-CB 3.97Å; F10-Q116 VanDerWaalsContact CE1-CD 3.5Å; F10-Q116 HydrophobicContact CE1-CG 3.61Å; F10-Q116 HydrophobicContact CZ-CB 4.11Å; F10-Q116 HydrophobicContact CZ-CG 3.83Å; Y53-Q116 HydrophobicContact CD1-CB 4.01Å; Y53-Q116 HydrophobicContact CD1-CG 4.22Å; Y53-Q116 HydrophobicContact CE1-CB 3.68Å; Y53-Q116 HydrophobicContact CE1-CG 4.18Å; Y53-Q116 VanDerWaalsContact N-OE1 3.13Å; G112-Q116 VanDerWaalsContact O-CB 3.28Å; G112-Q116 WeakPolarHBondContact O-CB 3.24Å; G112-Q116 PolarHBondContact O-N 2.83Å; A113-Q116 PolarHBondContact O-N 3.48Å; Q116-K119 PolarHBondContact O-N 2.98Å; Q116-Y120 HydrophobicContact CG-CD2 3.94Å; Q116-Y120 HydrophobicContact CG-CE2 3.63Å; Q116-Y120 PolarHBondContact NE2-OH 2.88Å; Q116-Y120 WeakPolarHBondContact O-CD2 3.28Å; Q116-Y120 PolarHBondContact O-N 3.43Å
117A98.7Very high98.3Very high0 Ų013.7 Ų13.70%08%0.083CC..Hα-helixtrans-59.1-47.1175.500000112F10 A113 S114 L115 K119 Y120 L121 A129 L294F10-A117 HydrophobicContact CD2-CB 3.87Å; F10-A117 VanDerWaalsContact CE2-CA 3.49Å; F10-A117 HydrophobicContact CE2-CB 3.52Å; F10-A117 HydrophobicContact CZ-CB 4.44Å; A113-A117 VanDerWaalsContact O-CB 3.27Å; A113-A117 WeakPolarHBondContact O-CB 3.42Å; A113-A117 PolarHBondContact O-N 2.92Å; S114-A117 WeakPolarHBondContact O-CB 3.4Å; S114-A117 PolarHBondContact O-N 2.82Å; L115-A117 VanDerWaalsContact C-N 3.33Å; A117-K119 PolarHBondContact O-N 3.34Å; A117-Y120 PolarHBondContact O-N 3.16Å; A117-L121 WeakPolarHBondContact O-CG 3.32Å; A117-L121 PolarHBondContact O-N 3.46Å; A117-A129 HydrophobicContact CB-CB 3.62Å; A117-L294 HydrophobicContact CB-CD1 3.52Å
118A98.8Very high98.3Very high0 Ų014 Ų140%08%0.084CC..Hα-helixtrans-59.3-45174.400000112.6S114 L115 Y120 L121 N122 A156 E159 L160S114-A118 PolarHBondContact O-N 2.96Å; L115-A118 PolarHBondContact O-N 3.34Å; A118-Y120 VanDerWaalsContact C-N 3.32Å; A118-Y120 PolarHBondContact O-N 2.92Å; A118-L121 PolarHBondContact O-N 3.41Å; A118-N122 WeakPolarHBondContact O-CB 3.37Å; A118-N122 PolarHBondContact O-N 3.09Å; A118-A156 HydrophobicContact CB-CB 4.09Å; A118-A156 WeakPolarHBondContact CB-O 3.23Å; A118-E159 HydrophobicContact CB-CB 3.89Å; A118-E159 HydrophobicContact CB-CG 3.67Å; A118-L160 HydrophobicContact CB-CD2 4.03Å; A118-L160 HydrophobicContact CB-CG 3.87Å
119K98.2Very high98.3Very high12 Ų1213.5 Ų13.55%0.0528%0.081CC..Hα-helixtrans-60.1-41175.6-71.4171.5-179.8167.20111.8Y53 L115 Q116 A117 N123 E159 N392Y53-K119 PolarHBondContact OH-NZ 3.47Å; L115-K119 WeakPolarHBondContact O-CG 3.42Å; L115-K119 PolarHBondContact O-N 3.39Å; Q116-K119 PolarHBondContact O-N 2.98Å; A117-K119 PolarHBondContact O-N 3.34Å; K119-N123 WeakPolarHBondContact O-CB 3.37Å; K119-N123 PolarHBondContact O-N 3.41Å; K119-N123 PolarHBondContact O-ND2 3.15Å; K119-E159 HydrophobicContact CG-CG 3.83Å; K119-N392 WeakPolarHBondContact CD-ND2 3.34Å; K119-N392 VanDerWaalsContact NZ-CG 3.3Å; K119-N392 PolarHBondContact NZ-ND2 2.8Å; K119-N392 PolarHBondContact NZ-OD1 2.78Å
120Y98.3Very high98.3Very high14 Ų1413.5 Ų13.56%0.0558%0.081CC..Hα-helixtrans-66-39.8178.4-85.9-137.9000112.2V8 F10 Y50 Q116 A117 A118 G124 V125 Y389V8-Y120 HydrophobicContact CG1-CD1 4.48Å; V8-Y120 HydrophobicContact CG2-CD1 4.2Å; F10-Y120 HydrophobicContact CZ-CD1 4.15Å; F10-Y120 HydrophobicContact CZ-CE1 4.25Å; F10-Y120 HydrophobicContact CZ-CG 4.27Å; Y50-Y120 HydrophobicContact CD2-CE1 4.04Å; Y50-Y120 AromaticContact CE2-CE1 3.86Å; Y50-Y120 HydrophobicContact CE2-CE1 3.86Å; Q116-Y120 HydrophobicContact CG-CD2 3.94Å; Q116-Y120 HydrophobicContact CG-CE2 3.63Å; Q116-Y120 PolarHBondContact NE2-OH 2.88Å; Q116-Y120 WeakPolarHBondContact O-CD2 3.28Å; Q116-Y120 PolarHBondContact O-N 3.43Å; A117-Y120 PolarHBondContact O-N 3.16Å; A118-Y120 VanDerWaalsContact C-N 3.32Å; A118-Y120 PolarHBondContact O-N 2.92Å; Y120-G124 PolarHBondContact O-N 2.91Å; Y120-V125 HydrophobicContact CD1-CB 4.09Å; Y120-V125 HydrophobicContact CD1-CG1 3.63Å; Y120-V125 HydrophobicContact CE1-CG1 3.96Å; Y120-V125 HydrophobicContact CG-CB 4.19Å; Y120-V125 HydrophobicContact CG-CG1 4.2Å; Y120-V125 WeakPolarHBondContact O-CB 3.38Å; Y120-V125 PolarHBondContact O-N 3.4Å; Y120-Y389 HydrophobicContact CD2-CE2 4.41Å
121L98.5Very high98.3Very high11 Ų1113.5 Ų13.56%0.0588%0.081CC..Hα-helixtrans-66.4-48.5175.3-68.5168.3000111.2A117 A118 N123 G124 T126 A129 L160 P292 L294A117-L121 WeakPolarHBondContact O-CG 3.32Å; A117-L121 PolarHBondContact O-N 3.46Å; A118-L121 PolarHBondContact O-N 3.41Å; L121-N123 VanDerWaalsContact C-N 3.27Å; L121-N123 PolarHBondContact O-N 2.95Å; L121-G124 PolarHBondContact O-N 3.26Å; L121-T126 HydrophobicContact CD2-CG2 3.81Å; L121-T126 HydrophobicContact CG-CG2 4.21Å; L121-A129 HydrophobicContact CD1-CB 4.25Å; L121-A129 HydrophobicContact CD2-CB 4.43Å; L121-A129 HydrophobicContact CG-CB 4.21Å; L121-L160 HydrophobicContact CB-CD2 4.12Å; L121-L160 HydrophobicContact CD1-CD2 4.26Å; L121-P292 HydrophobicContact CD2-CB 4.04Å; L121-L294 HydrophobicContact CD1-CB 3.73Å
122N98.2Very high98.3Very high21 Ų2113.6 Ų13.611%0.1128%0.081CC..Hα-helixtrans-56.9-38.5177.8-81.2-16.6000113.1A118 G124 E159 L160 Y163 N164A118-N122 WeakPolarHBondContact O-CB 3.37Å; A118-N122 PolarHBondContact O-N 3.09Å; N122-G124 VanDerWaalsContact C-N 3.29Å; N122-E159 PolarHBondContact ND2-O 3.4Å; N122-E159 PolarHBondContact ND2-OE1 3.04Å; N122-L160 WeakPolarHBondContact OD1-CA 3.21Å; N122-L160 PolarHBondContact OD1-O 3.16Å; N122-Y163 HydrophobicContact CB-CD2 3.5Å; N122-Y163 VanDerWaalsContact CB-CD2 3.5Å; N122-Y163 HydrophobicContact CB-CE2 3.95Å; N122-Y163 HydrophobicContact CB-CG 4.04Å; N122-Y163 WeakPolarHBondContact ND2-CD2 3.44Å; N122-N164 PolarHBondContact OD1-ND2 2.97Å
123N97Very high98.3Very high61 Ų6114.2 Ų14.233%0.3269%0.085SC..THydrogen-bonded Turntrans-907.5-179.5-71.5-87.8000113K119 L121 V125 Y389K119-N123 WeakPolarHBondContact O-CB 3.37Å; K119-N123 PolarHBondContact O-N 3.41Å; K119-N123 PolarHBondContact O-ND2 3.15Å; L121-N123 VanDerWaalsContact C-N 3.27Å; L121-N123 PolarHBondContact O-N 2.95Å; N123-V125 HydrophobicContact CB-CG2 4.07Å; N123-V125 PolarHBondContact O-N 3.43Å; N123-Y389 HydrophobicContact CB-CD2 3.89Å; N123-Y389 HydrophobicContact CB-CE2 3.98Å; N123-Y389 VanDerWaalsContact CG-CD2 3.41Å; N123-Y389 VanDerWaalsContact ND2-CD2 3.3Å; N123-Y389 WeakPolarHBondContact ND2-CD2 3.35Å
124G96.3Very high98.3Very high38 Ų3814.1 Ų14.139%0.3929%0.085SC..THydrogen-bonded Turntrans61.425.1177.700000113.9R6 Y120 L121 N122R6-G124 PolarHBondContact NH1-O 2.82Å; R6-G124 PolarHBondContact NH2-O 3.25Å; Y120-G124 PolarHBondContact O-N 2.91Å; L121-G124 PolarHBondContact O-N 3.26Å; N122-G124 VanDerWaalsContact C-N 3.29Å
125V97.1Very high98.3Very high52 Ų5214.2 Ų14.232%0.3159%0.085SC..SBendtrans-73.4-38.6178.1178.30000110.5R6 Y120 N123 Y389R6-V125 PolarHBondContact NH1-O 3.38Å; R6-V125 VanDerWaalsContact NH1-O 3.1Å; Y120-V125 HydrophobicContact CD1-CB 4.09Å; Y120-V125 HydrophobicContact CD1-CG1 3.63Å; Y120-V125 HydrophobicContact CE1-CG1 3.96Å; Y120-V125 HydrophobicContact CG-CB 4.19Å; Y120-V125 HydrophobicContact CG-CG1 4.2Å; Y120-V125 WeakPolarHBondContact O-CB 3.38Å; Y120-V125 PolarHBondContact O-N 3.4Å; N123-V125 HydrophobicContact CB-CG2 4.07Å; N123-V125 PolarHBondContact O-N 3.43Å; V125-Y389 HydrophobicContact CG2-CE2 4.17Å; V125-Y389 WeakPolarHBondContact CG2-OH 3.48Å
126T98Very high98.3Very high2 Ų214 Ų141%0.0128%0.084CC..  trans-132.1158.9178.2-160.90000110.4R6 V8 L121 I128 A129R6-T126 PolarHBondContact O-OG1 3.35Å; V8-T126 HydrophobicContact CB-CG2 4.38Å; V8-T126 HydrophobicContact CG2-CG2 4.32Å; V8-T126 WeakPolarHBondContact CG2-OG1 3.41Å; V8-T126 PolarHBondContact N-OG1 3.19Å; L121-T126 HydrophobicContact CD2-CG2 3.81Å; L121-T126 HydrophobicContact CG-CG2 4.21Å; T126-I128 PolarHBondContact OG1-O 3.01Å; T126-A129 HydrophobicContact CG2-CB 3.91Å
127D98.4Very high98.3Very high37 Ų3713.1 Ų13.120%0.1988%0.08CC..SBendtrans-100.7-29.7175.1-51.3-58.9000111.1K5 R6 P292 L293K5-D127 HydrophobicContact CB-CB 4.41Å; K5-D127 HydrophobicContact CD-CB 3.72Å; R6-D127 WeakPolarHBondContact CB-OD2 3.41Å; R6-D127 IonicContact CZ-OD1 3.7Å; R6-D127 IonicContact CZ-OD2 3.56Å; R6-D127 PolarHBondContact N-OD2 3.48Å; R6-D127 IonicContact NE-OD1 3.09Å; R6-D127 IonicContact NE-OD2 2.65Å; R6-D127 PolarHBondContact NE-OD2 3.39Å; R6-D127 VanDerWaalsContact NE-OD2 3.09Å; R6-D127 IonicContact NH2-OD1 3.67Å; R6-D127 PolarHBondContact NH2-OD1 3.2Å; R6-D127 IonicContact NH2-OD2 3.69Å; R6-D127 PolarHBondContact O-N 3.02Å; D127-P292 WeakPolarHBondContact O-CA 3.24Å; D127-L293 PolarHBondContact O-N 2.83Å
128I98.8Very high98.3Very high5 Ų513.3 Ų13.33%0.0268%0.081CC..EExtended strand (participates in β ladder)trans-129.9134.9174-55.8177000108.3K5 R6 V7 V8 T126 I130 K287 L293 V295 L317K5-I128 HydrophobicContact CB-CD1 4.47Å; R6-I128 PolarHBondContact O-N 2.99Å; V7-I128 WeakPolarHBondContact CA-O 3.28Å; V7-I128 HydrophobicContact CG1-CB 4.29Å; V7-I128 HydrophobicContact CG1-CG2 4.27Å; V7-I128 HydrophobicContact CG2-CB 4.18Å; V7-I128 HydrophobicContact CG2-CD1 4.32Å; V8-I128 PolarHBondContact N-O 2.83Å; T126-I128 PolarHBondContact OG1-O 3.01Å; I128-I130 HydrophobicContact CG2-CG1 4.28Å; I128-K287 HydrophobicContact CD1-CD 4.48Å; I128-K287 HydrophobicContact CD1-CG 3.95Å; I128-L293 CarbonylContact C-O 3.57Å; I128-L293 VanDerWaalsContact CA-O 3.3Å; I128-L293 WeakPolarHBondContact CA-O 3.35Å; I128-L293 HydrophobicContact CG1-CB 4.35Å; I128-V295 HydrophobicContact CG2-CG2 4.39Å; I128-L317 HydrophobicContact CD1-CD2 4.35Å; I128-L317 HydrophobicContact CG2-CD2 4.09Å
129A98.9Very high98.3Very high0 Ų013.3 Ų13.30%08%0.081CC..EExtended strand (participates in β ladder)trans-127.5131.317500000110.1V8 F10 A117 L121 T126 L293 L294 V295V8-A129 CarbonylContact O-C 3.53Å; V8-A129 WeakPolarHBondContact O-CA 3.39Å; F10-A129 HydrophobicContact CE2-CB 4.32Å; A117-A129 HydrophobicContact CB-CB 3.62Å; L121-A129 HydrophobicContact CD1-CB 4.25Å; L121-A129 HydrophobicContact CD2-CB 4.43Å; L121-A129 HydrophobicContact CG-CB 4.21Å; T126-A129 HydrophobicContact CG2-CB 3.91Å; A129-L293 PolarHBondContact N-O 2.61Å; A129-L294 HydrophobicContact CB-CD1 4.37Å; A129-L294 CarbonylContact O-C 3.52Å; A129-L294 WeakPolarHBondContact O-CA 3.28Å; A129-V295 PolarHBondContact O-N 3.29Å
130I98.9Very high98.3Very high0 Ų013.5 Ų13.50%08%0.082CC..EExtended strand (participates in β ladder)trans-116.1127.1-173.2-55.1174.3000109.5V7 V8 Y9 F10 I128 W132 V295 T314 L317V7-I130 HydrophobicContact CG1-CD1 3.78Å; V7-I130 HydrophobicContact CG1-CG1 4.28Å; V8-I130 PolarHBondContact O-N 3.02Å; Y9-I130 HydrophobicContact CD2-CB 4.08Å; Y9-I130 HydrophobicContact CD2-CG2 3.92Å; Y9-I130 HydrophobicContact CE2-CG2 4.43Å; F10-I130 PolarHBondContact N-O 2.81Å; I128-I130 HydrophobicContact CG2-CG1 4.28Å; I130-W132 HydrophobicContact CG2-CD2 3.78Å; I130-W132 HydrophobicContact CG2-CG 4.08Å; I130-W132 HydrophobicContact CG2-CH2 4.4Å; I130-W132 HydrophobicContact CG2-CZ2 3.65Å; I130-W132 VanDerWaalsContact CG2-NE1 3.35Å; I130-V295 CarbonylContact C-O 3.54Å; I130-V295 WeakPolarHBondContact CA-O 3.46Å; I130-T314 HydrophobicContact CD1-CG2 4.37Å; I130-L317 HydrophobicContact CD1-CB 4.23Å; I130-L317 HydrophobicContact CD1-CD1 3.56Å; I130-L317 HydrophobicContact CG1-CD1 3.85Å
131N98.8Very high98.3Very high0 Ų017 Ų170%010%0.098CC..EExtended strand (participates in β ladder)trans-135.787.7170176.626.7000111.3H110 A113 S114 S133 G134 V295 V296 G297H110-N131 PolarHBondContact O-ND2 2.88Å; A113-N131 HydrophobicContact CB-CB 4.23Å; A113-N131 VanDerWaalsContact CB-CG 3.43Å; A113-N131 WeakPolarHBondContact CB-ND2 3.27Å; A113-N131 WeakPolarHBondContact CB-OD1 3.46Å; S114-N131 PolarHBondContact N-ND2 2.85Å; S114-N131 PolarHBondContact OG-ND2 2.79Å; N131-S133 PolarHBondContact O-N 3.35Å; N131-S133 VanDerWaalsContact O-N 3.16Å; N131-S133 PolarHBondContact OD1-N 3.22Å; N131-S133 PolarHBondContact OD1-OG 2.97Å; N131-G134 PolarHBondContact ND2-N 2.67Å; N131-G134 PolarHBondContact O-N 2.69Å; N131-V295 PolarHBondContact N-O 3.27Å; N131-V296 VanDerWaalsContact O-CA 3.27Å; N131-V296 WeakPolarHBondContact O-CA 3.35Å; N131-G297 PolarHBondContact O-N 2.96Å; N131-G297 VanDerWaalsContact O-N 3.14Å
132W98.8Very high98.3Very high2 Ų222 Ų221%0.00812%0.119CC..THydrogen-bonded Turntrans-64.7-17.3178.2-61.4130.2000114.3Y9 L31 T34 I130 C259 V295 W310 E313 T314 L317Y9-W132 AromaticContact CE2-CD1 3.48Å; Y9-W132 VanDerWaalsContact CE2-CD1 3.48Å; Y9-W132 HydrophobicContact CE2-CG 4.38Å; Y9-W132 AromaticContact CZ-CD1 3.95Å; L31-W132 HydrophobicContact CD2-CB 4.23Å; L31-W132 VanDerWaalsContact CD2-O 3.24Å; L31-W132 WeakPolarHBondContact CD2-O 3.14Å; T34-W132 HydrophobicContact CG2-CG 4.23Å; I130-W132 HydrophobicContact CG2-CD2 3.78Å; I130-W132 HydrophobicContact CG2-CG 4.08Å; I130-W132 HydrophobicContact CG2-CH2 4.4Å; I130-W132 HydrophobicContact CG2-CZ2 3.65Å; I130-W132 VanDerWaalsContact CG2-NE1 3.35Å; W132-C259 HydrophobicContact CZ3-CB 3.9Å; W132-V295 HydrophobicContact CH2-CG1 3.69Å; W132-V295 HydrophobicContact CZ3-CG1 3.72Å; W132-W310 HydrophobicContact CB-CD2 4.23Å; W132-W310 HydrophobicContact CB-CE3 3.74Å; W132-W310 HydrophobicContact CB-CZ3 4.09Å; W132-W310 HydrophobicContact CD2-CB 3.73Å; W132-W310 HydrophobicContact CD2-CD2 4.08Å; W132-W310 HydrophobicContact CD2-CE3 4.45Å; W132-W310 AromaticContact CD2-CG 3.79Å; W132-W310 HydrophobicContact CD2-CG 3.79Å; W132-W310 HydrophobicContact CE3-CB 3.94Å; W132-W310 AromaticContact CE3-CD1 3.59Å; W132-W310 AromaticContact CE3-CD2 3.77Å; W132-W310 HydrophobicContact CE3-CD2 3.77Å; W132-W310 HydrophobicContact CE3-CE3 4.45Å; W132-W310 AromaticContact CE3-CG 3.51Å; W132-W310 HydrophobicContact CE3-CG 3.51Å; W132-W310 AromaticContact CE3-NE1 3.89Å; W132-W310 HydrophobicContact CG-CB 4.16Å; W132-W310 HydrophobicContact CG-CD2 4.3Å; W132-W310 HydrophobicContact CG-CE3 4.19Å; W132-W310 HydrophobicContact CG-CG 4.33Å; W132-W310 HydrophobicContact CH2-CB 4.38Å; W132-W310 HydrophobicContact CH2-CG 4.42Å; W132-W310 HydrophobicContact CZ2-CB 4.18Å; W132-W310 WeakPolarHBondContact CZ2-O 3.44Å; W132-W310 HydrophobicContact CZ3-CB 4.25Å; W132-W310 AromaticContact CZ3-CD1 3.52Å; W132-W310 HydrophobicContact CZ3-CD2 4.47Å; W132-W310 AromaticContact CZ3-CG 3.86Å; W132-W310 HydrophobicContact CZ3-CG 3.86Å; W132-W310 AromaticContact CZ3-NE1 3.98Å; W132-W310 WeakPolarHBondContact O-CH2 3.49Å; W132-W310 WeakPolarHBondContact O-CZ3 3.4Å; W132-E313 HydrophobicContact CH2-CB 3.75Å; W132-E313 WeakPolarHBondContact CH2-OE2 3.19Å; W132-E313 HydrophobicContact CZ2-CB 4.12Å; W132-T314 WeakPolarHBondContact CZ2-OG1 3.35Å; W132-T314 PolarHBondContact NE1-OG1 3.26Å; W132-L317 HydrophobicContact CH2-CD1 4.44Å; W132-L317 HydrophobicContact CZ2-CD1 4.39Å
133S98.4Very high98.3Very high13 Ų1324.4 Ų24.49%0.09113%0.13CC..THydrogen-bonded Turntrans-79.8-20.9177.973.20000114.1H110 N131H110-S133 WeakPolarHBondContact CA-OG 3.5Å; H110-S133 WeakPolarHBondContact CB-O 3.5Å; H110-S133 WeakPolarHBondContact CB-OG 3.1Å; N131-S133 PolarHBondContact O-N 3.35Å; N131-S133 VanDerWaalsContact O-N 3.16Å; N131-S133 PolarHBondContact OD1-N 3.22Å; N131-S133 PolarHBondContact OD1-OG 2.97Å
134G98.7Very high98.4Very high0 Ų021.5 Ų21.50%011%0.114CC..  trans-87.6-161.8178.100000112.8N131 D152 G297 G298N131-G134 PolarHBondContact ND2-N 2.67Å; N131-G134 PolarHBondContact O-N 2.69Å; G134-D152 VanDerWaalsContact CA-OD2 3.23Å; G134-D152 WeakPolarHBondContact CA-OD2 3.25Å; G134-G297 CarbonylContact O-C 3.6Å; G134-G297 VanDerWaalsContact O-C 3.29Å; G134-G297 VanDerWaalsContact O-CA 3.31Å; G134-G297 WeakPolarHBondContact O-CA 3.47Å; G134-G297 PolarHBondContact O-N 3.44Å; G134-G298 PolarHBondContact O-N 3.08Å
135G98.8Very high98.5Very high1 Ų120.3 Ų20.31%0.0110%0.099CC..  trans91.620.8-17900000113.6H137 D152 V296G135-H137 PolarHBondContact O-N 2.99Å; G135-D152 PolarHBondContact N-OD1 2.82Å; G135-D152 PolarHBondContact N-OD2 2.88Å; G135-V296 VanDerWaalsContact CA-CG2 3.49Å
136L98.6Very high98.5Very high3 Ų317.9 Ų17.92%0.0169%0.085CC..  trans-79.572-176.8-62.5-163.3000110.9F106 H110 H138 C148 D152F106-L136 HydrophobicContact CE1-CD1 4.49Å; H110-L136 VanDerWaalsContact NE2-CD1 3.26Å; H110-L136 WeakPolarHBondContact NE2-CD1 3.23Å; L136-H138 PolarHBondContact O-N 2.93Å; L136-C148 WeakPolarHBondContact CA-SG 3.42Å; L136-C148 HydrophobicContact CB-CB 3.78Å; L136-C148 VanDerWaalsContact CB-SG 3.58Å; L136-D152 PolarHBondContact N-OD1 3.48Å
137H98.8Very high98.5Very high4 Ų418.7 Ų18.72%0.0199%0.089CC..THydrogen-bonded Turntrans-74.3-14.4-165.164.8172.1000116.2G135 N151 I153 Y169 D171 D173 H175 G177 G179 V180G135-H137 PolarHBondContact O-N 2.99Å; H137-N151 PolarHBondContact O-ND2 3.47Å; H137-I153 HydrophobicContact CB-CD1 3.75Å; H137-Y169 WeakPolarHBondContact CB-OH 3.49Å; H137-D171 IonicContact CE1-OD2 2.88Å; H137-D171 IonicContact CG-OD2 2.75Å; H137-D171 IonicContact ND1-OD1 3.75Å; H137-D171 IonicContact ND1-OD2 3.93Å; H137-D171 PolarHBondContact ND1-OD2 3.32Å; H137-D173 VanDerWaalsContact CE1-CB 3.5Å; H137-D173 WeakPolarHBondContact CE1-CB 3.24Å; H137-D173 VanDerWaalsContact CE1-CG 3.41Å; H137-D173 IonicContact CE1-OD1 3.76Å; H137-D173 IonicContact CE1-OD2 3.71Å; H137-D173 IonicContact NE2-OD1 2.75Å; H137-D173 IonicContact NE2-OD2 3.6Å; H137-H175 PolarHBondContact CE1-O 3.29Å; H137-G177 WeakPolarHBondContact ND1-CA 3.29Å; H137-G179 WeakPolarHBondContact O-CA 3.32Å; H137-G179 PolarHBondContact O-N 2.88Å; H137-G179 VanDerWaalsContact O-N 3.08Å; H137-V180 HydrophobicContact CB-CG2 3.87Å; H137-V180 PolarHBondContact O-N 3.31Å
138H98.8Very high98.5Very high3 Ų317.2 Ų17.21%0.0148%0.081CC..THydrogen-bonded Turntrans-86.5-24.8-176.2-69.2-53.1000113.5L136 K140 S145 G146 C148 H176 D178 F203L136-H138 PolarHBondContact O-N 2.93Å; H138-K140 WeakPolarHBondContact O-CD 3.42Å; H138-K140 WeakPolarHBondContact O-CE 3.41Å; H138-K140 PolarHBondContact O-N 2.89Å; H138-S145 WeakPolarHBondContact CB-O 3.23Å; H138-G146 PolarHBondContact CD2-O 3.37Å; H138-C148 HydrophobicContact CB-CB 4.04Å; H138-H176 PolarHBondContact CE1-O 2.94Å; H138-H176 PolarHBondContact ND1-O 2.8Å; H138-D178 WeakPolarHBondContact CA-OD1 3.35Å; H138-D178 IonicContact CE1-OD1 3.86Å; H138-D178 IonicContact CG-OD1 3.85Å; H138-D178 IonicContact ND1-OD1 2.83Å; H138-D178 PolarHBondContact ND1-OD1 2.89Å; H138-F203 AromaticContact CD2-CE1 3.76Å; H138-F203 AromaticContact CE1-CE1 3.63Å; H138-F203 AromaticContact CG-CE1 3.99Å; H138-F203 AromaticContact ND1-CE1 3.9Å; H138-F203 AromaticContact NE2-CE1 3.49Å; H138-F203 WeakPolarHBondContact NE2-CE1 3.47Å
139A98.6Very high98.5Very high0 Ų017 Ų170%08%0.08CC..  trans-57.4130.5-177.300000110.6C148 N151A139-C148 HydrophobicContact CB-CB 3.71Å; A139-N151 HydrophobicContact CB-CB 3.94Å; A139-N151 WeakPolarHBondContact O-CB 3.34Å; A139-N151 PolarHBondContact O-ND2 2.98Å
140K98.5Very high98.5Very high16 Ų1617 Ų177%0.078%0.08CC..  trans-101.1173-177.7-54.2-58.3-174.7149.10110.6H64 H138 F142 E143 D178 E182H64-K140 PolarHBondContact CE1-O 2.95Å; H64-K140 PolarHBondContact ND1-O 3.33Å; H138-K140 WeakPolarHBondContact O-CD 3.42Å; H138-K140 WeakPolarHBondContact O-CE 3.41Å; H138-K140 PolarHBondContact O-N 2.89Å; K140-F142 PolarHBondContact O-N 3.27Å; K140-E143 HydrophobicContact CB-CG 3.65Å; K140-E143 HydrophobicContact CG-CG 3.93Å; K140-E143 PolarHBondContact N-O 3.24Å; K140-D178 WeakPolarHBondContact CE-OD2 3.43Å; K140-D178 VanDerWaalsContact NZ-CG 3.29Å; K140-D178 PolarHBondContact NZ-O 3.35Å; K140-D178 IonicContact NZ-OD1 2.83Å; K140-D178 IonicContact NZ-OD2 2.79Å; K140-D178 PolarHBondContact NZ-OD2 2.94Å; K140-E182 WeakPolarHBondContact CD-OE2 3.5Å; K140-E182 WeakPolarHBondContact CE-OE2 3.38Å; K140-E182 IonicContact NZ-OE2 3.2Å; K140-E182 PolarHBondContact NZ-OE2 3.27Å
141K98.3Very high98.5Very high89 Ų8917 Ų1739%0.3878%0.08SC..SBendtrans-57.3-35.8-177.4-177.8163.5-176.8170.30113.4F63 H64 S65F63-K141 HydrophobicContact CE2-CB 4.04Å; F63-K141 HydrophobicContact CE2-CG 4.46Å; F63-K141 HydrophobicContact CZ-CB 3.94Å; F63-K141 WeakPolarHBondContact O-CE 3.48Å; F63-K141 WeakPolarHBondContact O-CG 3.39Å; H64-K141 VanDerWaalsContact CA-O 3.31Å; H64-K141 WeakPolarHBondContact CA-O 3.34Å; H64-K141 PolarHBondContact ND1-O 2.64Å; S65-K141 PolarHBondContact N-O 3.22Å; S65-K141 VanDerWaalsContact N-O 3.11Å
142F97.9Very high98.5Very high114 Ų11417 Ų1750%0.58%0.08SC..SBendtrans-122.2-0.9-172-51.1-73.2000113.9S65 Y91 K140S65-F142 WeakPolarHBondContact OG-CD1 3.33Å; Y91-F142 WeakPolarHBondContact CD1-O 3.3Å; K140-F142 PolarHBondContact O-N 3.27Å
143E98.1Very high98.5Very high73 Ų7316.9 Ų16.934%0.3418%0.079SC..SBendtrans-152.1153.3-171.660.8179.7-166.400112.1N92 K140N92-E143 HydrophobicContact CB-CB 3.98Å; K140-E143 HydrophobicContact CB-CG 3.65Å; K140-E143 HydrophobicContact CG-CG 3.93Å; K140-E143 PolarHBondContact N-O 3.24Å
144A98.5Very high98.5Very high0 Ų016.3 Ų16.30%08%0.075CC..  trans-75.6156.7168.200000109.7Y68 Y91 N92 I93 C97 C148 Y149Y68-A144 WeakPolarHBondContact OH-CA 3.31Å; Y68-A144 WeakPolarHBondContact OH-CB 3.25Å; Y68-A144 PolarHBondContact OH-N 2.79Å; Y68-A144 VanDerWaalsContact OH-N 3.13Å; Y91-A144 PolarHBondContact O-N 3.39Å; N92-A144 VanDerWaalsContact CB-O 3.28Å; N92-A144 WeakPolarHBondContact CB-O 3.47Å; N92-A144 PolarHBondContact ND2-O 3.16Å; I93-A144 HydrophobicContact CD1-CB 4.23Å; C97-A144 HydrophobicContact CB-CB 3.69Å; A144-C148 CarbonylContact C-O 3.57Å; A144-C148 VanDerWaalsContact CA-O 3.24Å; A144-C148 WeakPolarHBondContact CA-O 3.42Å; A144-C148 WeakPolarHBondContact CB-O 3.27Å; A144-Y149 HydrophobicContact CB-CD1 3.6Å; A144-Y149 HydrophobicContact CB-CE1 3.93Å; A144-Y149 HydrophobicContact CB-CG 4.38Å
145S98.3Very high98.5Very high12 Ų1216.4 Ų16.48%0.0848%0.076CC..BIsolated β-bridgetrans-165.3144.1173.9-175.30000109.5H138 F147 C148H138-S145 WeakPolarHBondContact CB-O 3.23Å; S145-F147 VanDerWaalsContact C-N 3.33Å; S145-F147 PolarHBondContact O-N 3.14Å; S145-C148 PolarHBondContact N-O 3.05Å; S145-C148 WeakPolarHBondContact O-CA 3.42Å; S145-C148 WeakPolarHBondContact O-CB 3.26Å; S145-C148 PolarHBondContact O-N 3.12Å
146G97.7Very high98.5Very high2 Ų216.3 Ų16.32%0.0218%0.075CC..THydrogen-bonded Turntrans54.448.3171.700000112.6D96 H138 C148 F203D96-G146 WeakPolarHBondContact OD2-CA 3.45Å; D96-G146 PolarHBondContact OD2-N 2.7Å; H138-G146 PolarHBondContact CD2-O 3.37Å; G146-C148 PolarHBondContact O-N 2.74Å; G146-C148 VanDerWaalsContact O-N 3.09Å; G146-C148 PolarHBondContact O-SG 3.3Å; G146-F203 VanDerWaalsContact CA-CZ 3.47Å
147F97.9Very high98.5Very high19 Ų1916.2 Ų16.28%0.0838%0.075CC..THydrogen-bonded Turntrans67.22.5-177.3-40.2-34.1000115.6Y20 H24 P25 M26 D96 S145 L269 Y301Y20-F147 HydrophobicContact CE1-CB 3.98Å; Y20-F147 WeakPolarHBondContact CE1-O 3.44Å; Y20-F147 PolarHBondContact OH-O 3.15Å; H24-F147 AromaticContact CE1-CD1 3.21Å; H24-F147 WeakPolarHBondContact CE1-CD1 3.29Å; H24-F147 AromaticContact CE1-CE1 3.53Å; H24-F147 AromaticContact CE1-CG 3.51Å; H24-F147 AromaticContact NE2-CD1 3.15Å; H24-F147 WeakPolarHBondContact NE2-CD1 3.25Å; H24-F147 AromaticContact NE2-CE1 3.34Å; H24-F147 VanDerWaalsContact NE2-CE1 3.34Å; H24-F147 WeakPolarHBondContact NE2-CE1 3.32Å; H24-F147 AromaticContact NE2-CG 3.93Å; P25-F147 HydrophobicContact CG-CE1 4.14Å; P25-F147 HydrophobicContact CG-CE2 3.66Å; P25-F147 HydrophobicContact CG-CZ 3.37Å; M26-F147 HydrophobicContact CB-CB 4.45Å; M26-F147 HydrophobicContact CB-CD2 4.35Å; M26-F147 HydrophobicContact CB-CG 4.45Å; M26-F147 HydrophobicContact CE-CB 4.17Å; M26-F147 HydrophobicContact CE-CD2 4.22Å; D96-F147 VanDerWaalsContact O-CD1 3.22Å; D96-F147 WeakPolarHBondContact O-CD1 3.5Å; D96-F147 WeakPolarHBondContact OD1-CD1 3.26Å; D96-F147 WeakPolarHBondContact OD1-CE1 3.45Å; S145-F147 VanDerWaalsContact C-N 3.33Å; S145-F147 PolarHBondContact O-N 3.14Å; F147-L269 HydrophobicContact CE2-CD1 3.67Å; F147-L269 HydrophobicContact CZ-CD1 3.86Å; F147-Y301 AromaticContact CD2-CE1 3.48Å; F147-Y301 HydrophobicContact CD2-CE1 3.48Å; F147-Y301 VanDerWaalsContact CD2-CE1 3.48Å; F147-Y301 AromaticContact CD2-CZ 3.74Å; F147-Y301 WeakPolarHBondContact CD2-OH 3.44Å; F147-Y301 HydrophobicContact CE2-CD1 4.24Å; F147-Y301 AromaticContact CE2-CE1 3.41Å; F147-Y301 HydrophobicContact CE2-CE1 3.41Å; F147-Y301 VanDerWaalsContact CE2-CE1 3.41Å; F147-Y301 AromaticContact CE2-CZ 3.57Å
148C98.6Very high98.5Very high5 Ų519 Ų193%0.0349%0.089CC..BIsolated β-bridgetrans-103.9126.9-175.2-57.50000110.8L136 H138 A139 A144 S145 G146L136-C148 WeakPolarHBondContact CA-SG 3.42Å; L136-C148 HydrophobicContact CB-CB 3.78Å; L136-C148 VanDerWaalsContact CB-SG 3.58Å; H138-C148 HydrophobicContact CB-CB 4.04Å; A139-C148 HydrophobicContact CB-CB 3.71Å; A144-C148 CarbonylContact C-O 3.57Å; A144-C148 VanDerWaalsContact CA-O 3.24Å; A144-C148 WeakPolarHBondContact CA-O 3.42Å; A144-C148 WeakPolarHBondContact CB-O 3.27Å; S145-C148 PolarHBondContact N-O 3.05Å; S145-C148 WeakPolarHBondContact O-CA 3.42Å; S145-C148 WeakPolarHBondContact O-CB 3.26Å; S145-C148 PolarHBondContact O-N 3.12Å; G146-C148 PolarHBondContact O-N 2.74Å; G146-C148 VanDerWaalsContact O-N 3.09Å; G146-C148 PolarHBondContact O-SG 3.3Å
149Y98.6Very high98.5Very high0 Ų019.3 Ų19.30%09%0.091CC..SBendtrans-104.3-39.1179.2-62.5-84.6000113.3Y20 Y68 L72 I93 C97 P98 F100 I103 A144Y20-Y149 AromaticContact CE1-CE2 3.65Å; Y20-Y149 HydrophobicContact CE1-CE2 3.65Å; Y20-Y149 AromaticContact CZ-CE2 3.81Å; Y68-Y149 VanDerWaalsContact CE1-O 3.27Å; Y68-Y149 WeakPolarHBondContact CE1-O 3.34Å; Y68-Y149 PolarHBondContact OH-O 2.91Å; L72-Y149 HydrophobicContact CD2-CD1 4Å; I93-Y149 HydrophobicContact CD1-CD1 4.46Å; I93-Y149 HydrophobicContact CD1-CE1 4.07Å; C97-Y149 WeakPolarHBondContact CA-OH 3.44Å; C97-Y149 HydrophobicContact CB-CE1 3.7Å; P98-Y149 WeakPolarHBondContact CD-OH 3.22Å; P98-Y149 PolarHBondContact O-OH 3.4Å; F100-Y149 HydrophobicContact CE1-CD2 4.36Å; F100-Y149 AromaticContact CE1-CE2 3.66Å; F100-Y149 HydrophobicContact CE1-CE2 3.66Å; F100-Y149 HydrophobicContact CZ-CE2 4.47Å; I103-Y149 HydrophobicContact CD1-CD1 3.38Å; I103-Y149 HydrophobicContact CD1-CD2 3.95Å; I103-Y149 HydrophobicContact CD1-CE1 3.23Å; I103-Y149 HydrophobicContact CD1-CE2 3.85Å; I103-Y149 HydrophobicContact CD1-CG 3.72Å; I103-Y149 VanDerWaalsContact CD1-CZ 3.49Å; I103-Y149 HydrophobicContact CG1-CD1 4.19Å; I103-Y149 HydrophobicContact CG1-CD2 4.12Å; I103-Y149 HydrophobicContact CG1-CE1 4.37Å; I103-Y149 HydrophobicContact CG1-CE2 4.34Å; I103-Y149 HydrophobicContact CG1-CG 4.04Å; A144-Y149 HydrophobicContact CB-CD1 3.6Å; A144-Y149 HydrophobicContact CB-CE1 3.93Å; A144-Y149 HydrophobicContact CB-CG 4.38Å
150V98.8Very high98.5Very high0 Ų019.3 Ų19.30%09%0.091CC..SBendtrans-127.6133.2178.11740000108.7M60 H64 I69 L72 H110 T111 D152 I155M60-V150 HydrophobicContact CG-CG1 4.13Å; M60-V150 HydrophobicContact SD-CG1 4.3Å; M60-V150 HydrophobicContact SD-CG2 4.03Å; H64-V150 WeakPolarHBondContact NE2-CA 3.47Å; I69-V150 HydrophobicContact CD1-CG2 3.96Å; L72-V150 HydrophobicContact CD1-CG2 3.95Å; H110-V150 PolarHBondContact CE1-O 3.26Å; T111-V150 HydrophobicContact CG2-CG1 4.24Å; T111-V150 VanDerWaalsContact OG1-CG1 3.26Å; T111-V150 WeakPolarHBondContact OG1-CG1 3.36Å; V150-D152 PolarHBondContact O-N 3.33Å; V150-I155 HydrophobicContact CG1-CD1 3.82Å
151N98.8Very high98.5Very high0 Ų019.5 Ų19.50%09%0.092CC..  trans-89.986.6-178.3-160.5-46.3000110.2F63 H64 H137 A139 I153 V154 I155F63-N151 HydrophobicContact CD1-CB 4.04Å; F63-N151 HydrophobicContact CE1-CB 3.79Å; H64-N151 PolarHBondContact NE2-N 3.34Å; H137-N151 PolarHBondContact O-ND2 3.47Å; A139-N151 HydrophobicContact CB-CB 3.94Å; A139-N151 WeakPolarHBondContact O-CB 3.34Å; A139-N151 PolarHBondContact O-ND2 2.98Å; N151-I153 PolarHBondContact O-N 3.27Å; N151-I153 WeakPolarHBondContact OD1-CB 3.42Å; N151-I153 PolarHBondContact OD1-N 2.9Å; N151-V154 HydrophobicContact CB-CB 4.25Å; N151-V154 HydrophobicContact CB-CG2 4.21Å; N151-V154 VanDerWaalsContact CG-CG2 3.47Å; N151-V154 PolarHBondContact O-N 3.37Å; N151-V154 VanDerWaalsContact OD1-CG2 3.31Å; N151-V154 WeakPolarHBondContact OD1-CG2 3.46Å; N151-V154 PolarHBondContact OD1-N 3.22Å; N151-I155 PolarHBondContact O-N 2.88Å
152D98.9Very high98.4Very high0 Ų019.4 Ų19.40%09%0.092CC..Hα-helixtrans-63.9-29.7-179.567.6-72.2000112.7H110 S114 G134 G135 L136 V150 A156H110-D152 IonicContact ND1-OD1 3.97Å; S114-D152 WeakPolarHBondContact CB-OD2 3.49Å; S114-D152 PolarHBondContact OG-OD2 3.47Å; G134-D152 VanDerWaalsContact CA-OD2 3.23Å; G134-D152 WeakPolarHBondContact CA-OD2 3.25Å; G135-D152 PolarHBondContact N-OD1 2.82Å; G135-D152 PolarHBondContact N-OD2 2.88Å; L136-D152 PolarHBondContact N-OD1 3.48Å; V150-D152 PolarHBondContact O-N 3.33Å; D152-A156 WeakPolarHBondContact O-CB 3.25Å; D152-A156 PolarHBondContact O-N 3.18Å
153I98.9Very high98.3Very high0 Ų018.1 Ų18.10%09%0.085CC..Hα-helixtrans-64.6-47177.7-66.4161.2000110.6H137 N151 A156 T157 Y169 V180 V256 Q258 V296H137-I153 HydrophobicContact CB-CD1 3.75Å; N151-I153 PolarHBondContact O-N 3.27Å; N151-I153 WeakPolarHBondContact OD1-CB 3.42Å; N151-I153 PolarHBondContact OD1-N 2.9Å; I153-A156 PolarHBondContact O-N 2.9Å; I153-T157 VanDerWaalsContact O-CB 3.22Å; I153-T157 WeakPolarHBondContact O-CB 3.18Å; I153-T157 PolarHBondContact O-N 2.93Å; I153-T157 PolarHBondContact O-OG1 3.36Å; I153-Y169 HydrophobicContact CD1-CE2 3.89Å; I153-Y169 HydrophobicContact CG1-CE2 4.39Å; I153-Y169 HydrophobicContact CG2-CD2 3.71Å; I153-Y169 HydrophobicContact CG2-CE2 3.51Å; I153-V180 HydrophobicContact CB-CG2 3.93Å; I153-V180 HydrophobicContact CD1-CG2 4.03Å; I153-V180 HydrophobicContact CG2-CB 4.48Å; I153-V180 HydrophobicContact CG2-CG1 3.88Å; I153-V180 HydrophobicContact CG2-CG2 3.7Å; I153-V256 HydrophobicContact CG2-CG1 4.19Å; I153-Q258 HydrophobicContact CD1-CB 4.35Å; I153-Q258 HydrophobicContact CD1-CG 3.95Å; I153-V296 HydrophobicContact CD1-CG2 4.23Å; I153-V296 HydrophobicContact CG1-CG2 4.04Å
154V98.9Very high98.3Very high1 Ų115.5 Ų15.51%0.0067%0.073CC..Hα-helixtrans-64.2-46179.7173.90000110.2F63 N151 A156 T157 L158 V180 A183 F184F63-V154 HydrophobicContact CB-CG1 3.94Å; F63-V154 HydrophobicContact CD1-CB 4.04Å; F63-V154 HydrophobicContact CD1-CG1 3.85Å; F63-V154 HydrophobicContact CD2-CB 4.46Å; F63-V154 HydrophobicContact CD2-CG1 3.44Å; F63-V154 VanDerWaalsContact CD2-CG1 3.44Å; F63-V154 HydrophobicContact CE1-CB 4.27Å; F63-V154 HydrophobicContact CE1-CG1 4.21Å; F63-V154 HydrophobicContact CE1-CG2 4.36Å; F63-V154 HydrophobicContact CE2-CG1 3.83Å; F63-V154 HydrophobicContact CG-CB 4.14Å; F63-V154 HydrophobicContact CG-CG1 3.45Å; F63-V154 VanDerWaalsContact CG-CG1 3.45Å; F63-V154 HydrophobicContact CZ-CG1 4.19Å; F63-V154 HydrophobicContact CZ-CG2 4.41Å; N151-V154 HydrophobicContact CB-CB 4.25Å; N151-V154 HydrophobicContact CB-CG2 4.21Å; N151-V154 VanDerWaalsContact CG-CG2 3.47Å; N151-V154 PolarHBondContact O-N 3.37Å; N151-V154 VanDerWaalsContact OD1-CG2 3.31Å; N151-V154 WeakPolarHBondContact OD1-CG2 3.46Å; N151-V154 PolarHBondContact OD1-N 3.22Å; V154-A156 PolarHBondContact O-N 2.81Å; V154-T157 PolarHBondContact O-N 3.01Å; V154-L158 HydrophobicContact CG1-CD1 4.2Å; V154-L158 HydrophobicContact CG1-CG 4.44Å; V154-L158 VanDerWaalsContact O-CG 3.3Å; V154-L158 WeakPolarHBondContact O-CG 3.17Å; V154-L158 PolarHBondContact O-N 2.73Å; V154-V180 HydrophobicContact CG2-CB 4.48Å; V154-V180 HydrophobicContact CG2-CG1 4.44Å; V154-V180 HydrophobicContact CG2-CG2 4.35Å; V154-A183 HydrophobicContact CB-CB 4.34Å; V154-A183 HydrophobicContact CG1-CB 3.81Å; V154-A183 HydrophobicContact CG2-CB 3.49Å; V154-A183 VanDerWaalsContact CG2-CB 3.49Å; V154-F184 HydrophobicContact CB-CE2 4.28Å; V154-F184 HydrophobicContact CB-CZ 4.41Å; V154-F184 HydrophobicContact CG1-CE2 4.13Å; V154-F184 HydrophobicContact CG1-CZ 3.86Å; V154-F184 HydrophobicContact CG2-CE2 3.94Å
155I98.9Very high98.2Very high2 Ų217.4 Ų17.41%0.019%0.085CC..Hα-helixtrans-60.7-46.8178.2-66.6166000111F63 T111 L115 V150 N151 T157 L158 E159F63-I155 HydrophobicContact CB-CG1 3.92Å; T111-I155 HydrophobicContact CG2-CB 4.43Å; T111-I155 HydrophobicContact CG2-CD1 3.6Å; T111-I155 HydrophobicContact CG2-CG2 4.2Å; L115-I155 HydrophobicContact CD1-CG2 4.2Å; L115-I155 HydrophobicContact CD2-CG2 4.11Å; V150-I155 HydrophobicContact CG1-CD1 3.82Å; N151-I155 PolarHBondContact O-N 2.88Å; I155-T157 VanDerWaalsContact C-N 3.34Å; I155-T157 PolarHBondContact O-N 2.94Å; I155-L158 PolarHBondContact O-N 3.09Å; I155-E159 PolarHBondContact O-N 2.9Å; I155-E159 VanDerWaalsContact O-N 3.14Å
156A98.9Very high98.1Very high0 Ų018.6 Ų18.60%09%0.088CC..Hα-helixtrans-65.5-35.9176.700000112.4A118 D152 I153 V154 E159 L160 L294A118-A156 HydrophobicContact CB-CB 4.09Å; A118-A156 WeakPolarHBondContact CB-O 3.23Å; D152-A156 WeakPolarHBondContact O-CB 3.25Å; D152-A156 PolarHBondContact O-N 3.18Å; I153-A156 PolarHBondContact O-N 2.9Å; V154-A156 PolarHBondContact O-N 2.81Å; A156-E159 WeakPolarHBondContact O-CB 3.46Å; A156-E159 PolarHBondContact O-N 2.78Å; A156-L160 WeakPolarHBondContact O-CG 3.37Å; A156-L160 PolarHBondContact O-N 3.31Å; A156-L294 HydrophobicContact CB-CD2 3.82Å
157T98.9Very high98.2Very high0 Ų018.5 Ų18.50%09%0.087CC..Hα-helixtrans-67.4-41.3176.1-62.30000111.6I153 V154 I155 E159 L160 L161 V167 F184 V190I153-T157 VanDerWaalsContact O-CB 3.22Å; I153-T157 WeakPolarHBondContact O-CB 3.18Å; I153-T157 PolarHBondContact O-N 2.93Å; I153-T157 PolarHBondContact O-OG1 3.36Å; V154-T157 PolarHBondContact O-N 3.01Å; I155-T157 VanDerWaalsContact C-N 3.34Å; I155-T157 PolarHBondContact O-N 2.94Å; T157-E159 PolarHBondContact O-N 3.37Å; T157-L160 PolarHBondContact O-N 2.96Å; T157-L161 HydrophobicContact CG2-CD1 4.25Å; T157-L161 HydrophobicContact CG2-CG 4.42Å; T157-L161 WeakPolarHBondContact O-CB 3.46Å; T157-L161 VanDerWaalsContact O-CG 3.26Å; T157-L161 WeakPolarHBondContact O-CG 3.49Å; T157-L161 PolarHBondContact O-N 3.28Å; T157-V167 HydrophobicContact CG2-CB 4.13Å; T157-V167 HydrophobicContact CG2-CG1 3.93Å; T157-V167 HydrophobicContact CG2-CG2 4.35Å; T157-F184 HydrophobicContact CG2-CE1 4.11Å; T157-F184 HydrophobicContact CG2-CE2 3.68Å; T157-F184 HydrophobicContact CG2-CZ 3.42Å; T157-F184 VanDerWaalsContact CG2-CZ 3.42Å; T157-V190 HydrophobicContact CG2-CG1 4.17Å; T157-V190 HydrophobicContact CG2-CG2 3.67Å
158L98.6Very high98.2Very high62 Ų6217.6 Ų17.633%0.3258%0.083SC..Hα-helixtrans-59.4-38.1173.4-70.3172.6000111.6F63 V154 I155 L161 F184F63-L158 HydrophobicContact CB-CD1 4.19Å; V154-L158 HydrophobicContact CG1-CD1 4.2Å; V154-L158 HydrophobicContact CG1-CG 4.44Å; V154-L158 VanDerWaalsContact O-CG 3.3Å; V154-L158 WeakPolarHBondContact O-CG 3.17Å; V154-L158 PolarHBondContact O-N 2.73Å; I155-L158 PolarHBondContact O-N 3.09Å; L158-L161 HydrophobicContact CD2-CD1 4.45Å; L158-F184 HydrophobicContact CD2-CE1 4.09Å; L158-F184 HydrophobicContact CD2-CZ 4.48Å; L158-F184 HydrophobicContact CG-CZ 4.45Å
159E98.4Very high98.3Very high10 Ų1017.4 Ų17.45%0.0478%0.082CC..Hα-helixtrans-64.5-50.4171.6178.263.6-137.400111.7L115 A118 K119 N122 I155 A156 T157 L161 K162L115-E159 HydrophobicContact CD1-CB 3.48Å; L115-E159 VanDerWaalsContact CD1-CB 3.48Å; L115-E159 HydrophobicContact CD1-CG 3.7Å; A118-E159 HydrophobicContact CB-CB 3.89Å; A118-E159 HydrophobicContact CB-CG 3.67Å; K119-E159 HydrophobicContact CG-CG 3.83Å; N122-E159 PolarHBondContact ND2-O 3.4Å; N122-E159 PolarHBondContact ND2-OE1 3.04Å; I155-E159 PolarHBondContact O-N 2.9Å; I155-E159 VanDerWaalsContact O-N 3.14Å; A156-E159 WeakPolarHBondContact O-CB 3.46Å; A156-E159 PolarHBondContact O-N 2.78Å; T157-E159 PolarHBondContact O-N 3.37Å; E159-L161 PolarHBondContact O-N 3.01Å; E159-K162 WeakPolarHBondContact O-CB 3.39Å; E159-K162 WeakPolarHBondContact O-CG 3.14Å; E159-K162 PolarHBondContact O-N 2.74Å; E159-K162 IonicContact OE1-NZ 3.86Å; E159-K162 PolarHBondContact OE1-NZ 2.6Å; E159-K162 WeakPolarHBondContact OE2-CE 3.34Å; E159-K162 IonicContact OE2-NZ 3.14Å; E159-K162 PolarHBondContact OE2-NZ 2.77Å
160L98.6Very high98.3Very high0 Ų017.4 Ų17.40%08%0.082CC..Hα-helixtrans-55.3-39.8177.6-72170.7000112.2A118 L121 N122 A156 T157 K162 Y163 N164 V167 T254 V256A118-L160 HydrophobicContact CB-CD2 4.03Å; A118-L160 HydrophobicContact CB-CG 3.87Å; L121-L160 HydrophobicContact CB-CD2 4.12Å; L121-L160 HydrophobicContact CD1-CD2 4.26Å; N122-L160 WeakPolarHBondContact OD1-CA 3.21Å; N122-L160 PolarHBondContact OD1-O 3.16Å; A156-L160 WeakPolarHBondContact O-CG 3.37Å; A156-L160 PolarHBondContact O-N 3.31Å; T157-L160 PolarHBondContact O-N 2.96Å; L160-K162 PolarHBondContact O-N 2.88Å; L160-K162 VanDerWaalsContact O-N 3.12Å; L160-Y163 PolarHBondContact O-N 2.86Å; L160-Y163 VanDerWaalsContact O-N 3.15Å; L160-N164 VanDerWaalsContact O-CB 3.25Å; L160-N164 WeakPolarHBondContact O-CB 3.22Å; L160-N164 PolarHBondContact O-N 3.16Å; L160-N164 PolarHBondContact O-ND2 2.82Å; L160-V167 HydrophobicContact CB-CG2 3.88Å; L160-V167 HydrophobicContact CD1-CG1 4.26Å; L160-T254 HydrophobicContact CB-CG2 4.19Å; L160-T254 HydrophobicContact CD1-CG2 4.13Å; L160-T254 HydrophobicContact CD2-CG2 4.24Å; L160-T254 HydrophobicContact CG-CG2 4.42Å; L160-V256 HydrophobicContact CD1-CG2 3.46Å; L160-V256 VanDerWaalsContact CD1-CG2 3.46Å
161L97.7Very high98.3Very high20 Ų2017.4 Ų17.411%0.1058%0.082CC..THydrogen-bonded Turntrans-63-13.6179.2-75.7170.3000114.4T157 L158 E159 Y163 V167 F184 R189 V190T157-L161 HydrophobicContact CG2-CD1 4.25Å; T157-L161 HydrophobicContact CG2-CG 4.42Å; T157-L161 WeakPolarHBondContact O-CB 3.46Å; T157-L161 VanDerWaalsContact O-CG 3.26Å; T157-L161 WeakPolarHBondContact O-CG 3.49Å; T157-L161 PolarHBondContact O-N 3.28Å; L158-L161 HydrophobicContact CD2-CD1 4.45Å; E159-L161 PolarHBondContact O-N 3.01Å; L161-Y163 VanDerWaalsContact C-N 3.28Å; L161-Y163 PolarHBondContact O-N 3.22Å; L161-V167 HydrophobicContact CD2-CG2 3.78Å; L161-V167 HydrophobicContact CG-CG2 3.94Å; L161-F184 HydrophobicContact CD1-CE1 4.22Å; L161-R189 HydrophobicContact CD2-CB 3.81Å; L161-R189 WeakPolarHBondContact CD2-O 3.36Å; L161-R189 PolarHBondContact O-NH2 3.49Å; L161-V190 HydrophobicContact CD1-CG2 3.73Å; L161-V190 HydrophobicContact CD2-CG2 4.08Å; L161-V190 HydrophobicContact CG-CG2 4.26Å
162K96.5Very high98.3Very high87 Ų8717.4 Ų17.438%0.3788%0.082SC..THydrogen-bonded Turntrans-64-35.4172.6-66.9174.9179.9172.10112E159 L160 V385 D388E159-K162 WeakPolarHBondContact O-CB 3.39Å; E159-K162 WeakPolarHBondContact O-CG 3.14Å; E159-K162 PolarHBondContact O-N 2.74Å; E159-K162 IonicContact OE1-NZ 3.86Å; E159-K162 PolarHBondContact OE1-NZ 2.6Å; E159-K162 WeakPolarHBondContact OE2-CE 3.34Å; E159-K162 IonicContact OE2-NZ 3.14Å; E159-K162 PolarHBondContact OE2-NZ 2.77Å; L160-K162 PolarHBondContact O-N 2.88Å; L160-K162 VanDerWaalsContact O-N 3.12Å; K162-V385 HydrophobicContact CB-CG1 4.07Å; K162-V385 VanDerWaalsContact O-CG2 3.27Å; K162-V385 WeakPolarHBondContact O-CG2 3.45Å; K162-D388 IonicContact NZ-OD2 3.89Å; K162-D388 PolarHBondContact NZ-OD2 2.84Å
163Y96.3Very high98.3Very high87 Ų8717.4 Ų17.434%0.3418%0.082SC..THydrogen-bonded Turntrans-116.7-16.4-175.7-60.5-94.9000113.1N122 L160 L161 V385N122-Y163 HydrophobicContact CB-CD2 3.5Å; N122-Y163 VanDerWaalsContact CB-CD2 3.5Å; N122-Y163 HydrophobicContact CB-CE2 3.95Å; N122-Y163 HydrophobicContact CB-CG 4.04Å; N122-Y163 WeakPolarHBondContact ND2-CD2 3.44Å; L160-Y163 PolarHBondContact O-N 2.86Å; L160-Y163 VanDerWaalsContact O-N 3.15Å; L161-Y163 VanDerWaalsContact C-N 3.28Å; L161-Y163 PolarHBondContact O-N 3.22Å; Y163-V385 HydrophobicContact CE1-CB 4.38Å; Y163-V385 HydrophobicContact CE1-CG1 4.21Å; Y163-V385 HydrophobicContact CE2-CG1 3.97Å
164N97.1Very high98.3Very high19 Ų1917.4 Ų17.410%0.1028%0.082CC..  trans-106.9121.2-177.3-68.5-83.3000110.7N122 L160 R166 V167 R189 T253 T254N122-N164 PolarHBondContact OD1-ND2 2.97Å; L160-N164 VanDerWaalsContact O-CB 3.25Å; L160-N164 WeakPolarHBondContact O-CB 3.22Å; L160-N164 PolarHBondContact O-N 3.16Å; L160-N164 PolarHBondContact O-ND2 2.82Å; N164-R166 PolarHBondContact O-N 3.02Å; N164-V167 HydrophobicContact CB-CG2 4.14Å; N164-R189 PolarHBondContact O-NH2 3.12Å; N164-T253 VanDerWaalsContact CB-OG1 3.25Å; N164-T253 WeakPolarHBondContact CB-OG1 3.15Å; N164-T253 PolarHBondContact OD1-OG1 2.95Å; N164-T254 HydrophobicContact CB-CG2 3.8Å; N164-T254 VanDerWaalsContact CG-CG2 3.41Å
165P96.2Very high98.3Very high40 Ų4017.9 Ų17.926%0.268%0.084SC..SBendtrans-64.3-30.4175.124.8-34.3000112.3R189 T253 V380P165-R189 PolarHBondContact O-NE 3.34Å; P165-T253 WeakPolarHBondContact CD-OG1 3.21Å; P165-T253 HydrophobicContact CG-CG2 3.8Å; P165-V380 HydrophobicContact CB-CG2 4.46Å
166R97.8Very high98.3Very high36 Ų3617.9 Ų17.914%0.1368%0.084CC..  trans-142.4117.4-173.4-68-177.6-57.6-74-7.5111.3N164 R189 Y250 R251 T253 P378N164-R166 PolarHBondContact O-N 3.02Å; R166-R189 WeakPolarHBondContact CA-O 3.32Å; R166-Y250 HydrophobicContact CB-CE1 3.82Å; R166-Y250 HydrophobicContact CB-CE2 4.26Å; R166-Y250 WeakPolarHBondContact CD-O 3.37Å; R166-Y250 HydrophobicContact CG-CE1 4.46Å; R166-Y250 HydrophobicContact CG-CE2 4Å; R166-Y250 PolarHBondContact NE-O 3Å; R166-R251 PolarHBondContact NE-O 3.29Å; R166-R251 PolarHBondContact NH2-O 3.03Å; R166-T253 PolarHBondContact O-N 2.84Å; R166-T253 PolarHBondContact O-OG1 2.98Å; R166-P378 WeakPolarHBondContact CD-O 3.37Å; R166-P378 HydrophobicContact CG-CG 4.11Å; R166-P378 PolarHBondContact NH1-O 3.35Å
167V98.8Very high98.3Very high0 Ų018 Ų180%08%0.084CC..EExtended strand (participates in β ladder)trans-104.9127.5174.5-178.60000108.7T157 L160 L161 N164 R189 V190 M191 T254 V256T157-V167 HydrophobicContact CG2-CB 4.13Å; T157-V167 HydrophobicContact CG2-CG1 3.93Å; T157-V167 HydrophobicContact CG2-CG2 4.35Å; L160-V167 HydrophobicContact CB-CG2 3.88Å; L160-V167 HydrophobicContact CD1-CG1 4.26Å; L161-V167 HydrophobicContact CD2-CG2 3.78Å; L161-V167 HydrophobicContact CG-CG2 3.94Å; N164-V167 HydrophobicContact CB-CG2 4.14Å; V167-R189 PolarHBondContact N-O 2.89Å; V167-V190 HydrophobicContact CB-CG2 4.4Å; V167-V190 VanDerWaalsContact O-CA 3.29Å; V167-V190 WeakPolarHBondContact O-CA 3.29Å; V167-M191 PolarHBondContact O-N 2.89Å; V167-T254 HydrophobicContact CB-CG2 4.24Å; V167-T254 HydrophobicContact CG1-CG2 4.1Å; V167-T254 HydrophobicContact CG2-CG2 3.73Å; V167-V256 HydrophobicContact CG1-CG2 4.03Å
168L98.9Very high98.3Very high0 Ų018.6 Ų18.60%09%0.088CC..EExtended strand (participates in β ladder)trans-97.6120.5171.1169.562.9000109.2I170 M191 V193 V246 V247 Y250 P252 T254 I255 V256L168-I170 HydrophobicContact CD1-CG1 4.23Å; L168-I170 HydrophobicContact CD2-CD1 3.9Å; L168-I170 HydrophobicContact CD2-CG1 4.01Å; L168-I170 HydrophobicContact CG-CD1 4.24Å; L168-I170 HydrophobicContact CG-CG1 3.82Å; L168-M191 HydrophobicContact CD1-CB 4.23Å; L168-M191 HydrophobicContact CD1-CG 4.34Å; L168-V193 HydrophobicContact CD1-CG2 3.62Å; L168-V246 HydrophobicContact CD1-CG1 3.54Å; L168-V246 HydrophobicContact CD2-CG1 3.74Å; L168-V246 HydrophobicContact CG-CG1 4.31Å; L168-V247 HydrophobicContact CD2-CG2 4.11Å; L168-Y250 HydrophobicContact CB-CD1 4.38Å; L168-Y250 HydrophobicContact CB-CE1 4.44Å; L168-P252 HydrophobicContact CB-CB 3.5Å; L168-P252 HydrophobicContact CB-CG 3.7Å; L168-P252 HydrophobicContact CD2-CG 3.86Å; L168-P252 HydrophobicContact CG-CG 4.43Å; L168-T254 PolarHBondContact N-O 2.57Å; L168-I255 HydrophobicContact CB-CG1 4.25Å; L168-I255 HydrophobicContact CD2-CD1 4.31Å; L168-I255 HydrophobicContact CD2-CG1 4.3Å; L168-I255 CarbonylContact O-C 3.59Å; L168-I255 VanDerWaalsContact O-CA 3.24Å; L168-I255 WeakPolarHBondContact O-CA 3.42Å; L168-V256 PolarHBondContact O-N 3.01Å
169Y98.9Very high98.3Very high2 Ų215.7 Ų15.71%0.0087%0.072CC..EExtended strand (participates in β ladder)trans-96.2123.3170173.7-110000109.2H137 I153 D171 V180 M191 T192 V193 V256 Q258H137-Y169 WeakPolarHBondContact CB-OH 3.49Å; I153-Y169 HydrophobicContact CD1-CE2 3.89Å; I153-Y169 HydrophobicContact CG1-CE2 4.39Å; I153-Y169 HydrophobicContact CG2-CD2 3.71Å; I153-Y169 HydrophobicContact CG2-CE2 3.51Å; Y169-D171 HydrophobicContact CD1-CB 4.48Å; Y169-D171 HydrophobicContact CE1-CB 3.62Å; Y169-D171 VanDerWaalsContact OH-CG 3.28Å; Y169-D171 PolarHBondContact OH-OD2 3.15Å; Y169-V180 HydrophobicContact CD1-CB 4.22Å; Y169-V180 HydrophobicContact CD1-CG1 3.65Å; Y169-V180 HydrophobicContact CD2-CG1 4.19Å; Y169-V180 HydrophobicContact CE1-CB 3.84Å; Y169-V180 HydrophobicContact CE1-CG1 3.76Å; Y169-V180 HydrophobicContact CE1-CG2 4.16Å; Y169-V180 HydrophobicContact CE2-CG1 4.3Å; Y169-V180 HydrophobicContact CE2-CG2 4.39Å; Y169-V180 HydrophobicContact CG-CG1 3.87Å; Y169-M191 PolarHBondContact N-O 2.75Å; Y169-T192 HydrophobicContact CD1-CG2 3.93Å; Y169-T192 CarbonylContact O-C 3.55Å; Y169-V193 PolarHBondContact O-N 3.36Å; Y169-V256 CarbonylContact C-O 3.58Å; Y169-V256 WeakPolarHBondContact CA-O 3.24Å; Y169-V256 HydrophobicContact CD2-CB 4.11Å; Y169-V256 HydrophobicContact CD2-CG1 4.08Å; Y169-V256 HydrophobicContact CE2-CG1 4.44Å; Y169-Q258 HydrophobicContact CE2-CB 3.8Å; Y169-Q258 WeakPolarHBondContact OH-CB 3.47Å
170I99Very high98.3Very high0 Ų015.2 Ų15.20%07%0.07CC..EExtended strand (participates in β ladder)trans-116.9130175.5-55.1173.8000107.8L168 I172 V193 F239 I243 I255 V256 L257 Q258 V286L168-I170 HydrophobicContact CD1-CG1 4.23Å; L168-I170 HydrophobicContact CD2-CD1 3.9Å; L168-I170 HydrophobicContact CD2-CG1 4.01Å; L168-I170 HydrophobicContact CG-CD1 4.24Å; L168-I170 HydrophobicContact CG-CG1 3.82Å; I170-I172 HydrophobicContact CG2-CG2 4.41Å; I170-V193 CarbonylContact C-O 3.56Å; I170-V193 WeakPolarHBondContact CA-O 3.45Å; I170-F239 HydrophobicContact CG2-CE2 3.87Å; I170-F239 HydrophobicContact CG2-CZ 4.22Å; I170-I243 HydrophobicContact CD1-CD1 3.75Å; I170-I243 HydrophobicContact CD1-CG1 4.47Å; I170-I243 HydrophobicContact CD1-CG2 4.38Å; I170-I243 HydrophobicContact CG1-CD1 3.93Å; I170-I243 HydrophobicContact CG2-CD1 4Å; I170-I255 HydrophobicContact CD1-CG2 3.87Å; I170-I255 HydrophobicContact CG1-CG2 4.19Å; I170-V256 PolarHBondContact N-O 3.31Å; I170-L257 HydrophobicContact CB-CD1 3.78Å; I170-L257 HydrophobicContact CG2-CD1 3.71Å; I170-L257 WeakPolarHBondContact O-CA 3.36Å; I170-Q258 PolarHBondContact O-N 3.2Å; I170-V286 HydrophobicContact CD1-CG1 4.1Å; I170-V286 HydrophobicContact CD1-CG2 3.71Å
171D98.9Very high98.3Very high0 Ų015.5 Ų15.50%07%0.072CC..EExtended strand (participates in β ladder)trans-125.6118-177.2-164.8-29.9000110H137 Y169 D173 G177 V193 F195 Q258H137-D171 IonicContact CE1-OD2 2.88Å; H137-D171 IonicContact CG-OD2 2.75Å; H137-D171 IonicContact ND1-OD1 3.75Å; H137-D171 IonicContact ND1-OD2 3.93Å; H137-D171 PolarHBondContact ND1-OD2 3.32Å; Y169-D171 HydrophobicContact CD1-CB 4.48Å; Y169-D171 HydrophobicContact CE1-CB 3.62Å; Y169-D171 VanDerWaalsContact OH-CG 3.28Å; Y169-D171 PolarHBondContact OH-OD2 3.15Å; D171-D173 WeakPolarHBondContact OD1-CB 3.35Å; D171-D173 PolarHBondContact OD1-N 2.95Å; D171-G177 VanDerWaalsContact OD2-CA 3.23Å; D171-G177 WeakPolarHBondContact OD2-CA 3.48Å; D171-V193 PolarHBondContact N-O 3.31Å; D171-F195 PolarHBondContact O-N 3.25Å; D171-Q258 HydrophobicContact CB-CB 4.5Å; D171-Q258 PolarHBondContact OD1-OE1 2.67Å
172I98.9Very high98.3Very high0 Ų019.7 Ų19.70%09%0.091CC..  trans-112.313.5177.460.5174.4000112.8I170 Y235 F239 Q258 S263 H279 C282 V283I170-I172 HydrophobicContact CG2-CG2 4.41Å; I172-Y235 WeakPolarHBondContact CB-OH 3.08Å; I172-Y235 WeakPolarHBondContact CG2-OH 3.4Å; I172-F239 HydrophobicContact CG2-CD2 4.04Å; I172-F239 HydrophobicContact CG2-CE2 3.49Å; I172-F239 VanDerWaalsContact CG2-CE2 3.49Å; I172-F239 HydrophobicContact CG2-CZ 4.36Å; I172-Q258 VanDerWaalsContact CG1-O 3.24Å; I172-Q258 WeakPolarHBondContact CG1-O 3.48Å; I172-Q258 PolarHBondContact N-O 3.4Å; I172-S263 WeakPolarHBondContact O-CB 3.39Å; I172-S263 PolarHBondContact O-OG 3.19Å; I172-H279 WeakPolarHBondContact CD1-CE1 3.26Å; I172-H279 WeakPolarHBondContact CD1-NE2 3.32Å; I172-C282 HydrophobicContact CD1-CB 4.17Å; I172-V283 HydrophobicContact CD1-CG2 4.47Å
173D98.8Very high98.5Very high0 Ų017.2 Ų17.20%09%0.087CC..SBendtrans-61150164.4-157.4-77.6000110.7H137 D171 H175 Q258 G260 D262 G299H137-D173 VanDerWaalsContact CE1-CB 3.5Å; H137-D173 WeakPolarHBondContact CE1-CB 3.24Å; H137-D173 VanDerWaalsContact CE1-CG 3.41Å; H137-D173 IonicContact CE1-OD1 3.76Å; H137-D173 IonicContact CE1-OD2 3.71Å; H137-D173 IonicContact NE2-OD1 2.75Å; H137-D173 IonicContact NE2-OD2 3.6Å; D171-D173 WeakPolarHBondContact OD1-CB 3.35Å; D171-D173 PolarHBondContact OD1-N 2.95Å; D173-H175 PolarHBondContact O-N 2.93Å; D173-H175 WeakPolarHBondContact OD1-CB 3.1Å; D173-H175 IonicContact OD1-CG 3.72Å; D173-H175 PolarHBondContact OD1-N 2.79Å; D173-H175 IonicContact OD1-ND1 3.66Å; D173-H175 PolarHBondContact OD1-ND1 3.29Å; D173-Q258 PolarHBondContact OD2-NE2 2.89Å; D173-G260 WeakPolarHBondContact OD2-CA 3.34Å; D173-D262 VanDerWaalsContact OD1-OD1 3.07Å; D173-G299 WeakPolarHBondContact OD2-CA 3.23Å; D173-G299 PolarHBondContact OD2-N 3.3Å
174V98.7Very high98.6Very high0 Ų013.8 Ų13.80%07%0.073CC..SBendtrans-69.8-21.2175.7730000112.2H196 R197 F202 D262 F272V174-H196 CarbonylContact O-C 3.51Å; V174-H196 WeakPolarHBondContact O-CA 3.43Å; V174-H196 VanDerWaalsContact O-CB 3.28Å; V174-H196 WeakPolarHBondContact O-CB 3.34Å; V174-R197 HydrophobicContact CG2-CB 3.89Å; V174-R197 PolarHBondContact O-N 2.88Å; V174-F202 HydrophobicContact CG1-CZ 4.23Å; V174-F202 HydrophobicContact CG2-CE1 4.44Å; V174-F202 HydrophobicContact CG2-CZ 4.21Å; V174-D262 HydrophobicContact CG1-CB 3.86Å; V174-D262 VanDerWaalsContact CG1-CG 3.43Å; V174-D262 WeakPolarHBondContact CG1-OD1 3.35Å; V174-D262 PolarHBondContact N-OD1 3.24Å; V174-D262 VanDerWaalsContact N-OD1 3.15Å; V174-F272 HydrophobicContact CB-CD2 4.45Å; V174-F272 HydrophobicContact CG2-CD1 4.04Å; V174-F272 HydrophobicContact CG2-CD2 3.9Å; V174-F272 HydrophobicContact CG2-CE1 4.13Å; V174-F272 HydrophobicContact CG2-CE2 3.97Å; V174-F272 HydrophobicContact CG2-CG 3.91Å; V174-F272 HydrophobicContact CG2-CZ 4.07Å
175H98.9Very high98.6Very high11 Ų1116.1 Ų16.15%0.0518%0.081CC..SBendtrans-96146.5177.1-49.789.6000110.6H137 D173 G177 H196 F202 F203 D262H137-H175 PolarHBondContact CE1-O 3.29Å; D173-H175 PolarHBondContact O-N 2.93Å; D173-H175 WeakPolarHBondContact OD1-CB 3.1Å; D173-H175 IonicContact OD1-CG 3.72Å; D173-H175 PolarHBondContact OD1-N 2.79Å; D173-H175 IonicContact OD1-ND1 3.66Å; D173-H175 PolarHBondContact OD1-ND1 3.29Å; H175-G177 PolarHBondContact O-N 3.33Å; H175-H196 VanDerWaalsContact C-CB 3.48Å; H175-F202 AromaticContact CD2-CE1 3.43Å; H175-F202 VanDerWaalsContact CD2-CE1 3.43Å; H175-F202 WeakPolarHBondContact CD2-CE1 3.5Å; H175-F202 AromaticContact CD2-CZ 3.72Å; H175-F202 AromaticContact NE2-CE1 3.82Å; H175-F202 AromaticContact NE2-CZ 3.58Å; H175-F203 PolarHBondContact CD2-O 3.41Å; H175-D262 IonicContact CE1-OD2 3.72Å; H175-D262 PolarHBondContact CE1-OD2 3.05Å; H175-D262 IonicContact ND1-OD2 3.87Å; H175-D262 PolarHBondContact ND1-OD2 3.04Å
176H98.8Very high98.7Very high2 Ų218.4 Ų18.41%0.0099%0.091CC..  trans-63.4130177.3173.3-139.2000110.7H138 D178 Q181 H196 P204 T206 G207 N223H138-H176 PolarHBondContact CE1-O 2.94Å; H138-H176 PolarHBondContact ND1-O 2.8Å; H176-D178 WeakPolarHBondContact ND1-CB 3.42Å; H176-D178 PolarHBondContact O-N 2.91Å; H176-Q181 PolarHBondContact CE1-NE2 3.24Å; H176-Q181 VanDerWaalsContact CE1-NE2 3.34Å; H176-Q181 PolarHBondContact NE2-OE1 3.36Å; H176-H196 HydrophobicContact CB-CB 4.29Å; H176-H196 AromaticContact CD2-CE1 3.53Å; H176-H196 AromaticContact CD2-ND1 3.7Å; H176-H196 AromaticContact CG-CE1 3.77Å; H176-H196 AromaticContact CG-ND1 3.96Å; H176-P204 HydrophobicContact CB-CG 4.04Å; H176-T206 VanDerWaalsContact ND1-C 3.31Å; H176-T206 PolarHBondContact ND1-OG1 3.34Å; H176-G207 VanDerWaalsContact CE1-CA 3.48Å; H176-G207 WeakPolarHBondContact CE1-CA 3.14Å; H176-G207 PolarHBondContact CE1-N 3.12Å; H176-G207 VanDerWaalsContact ND1-CA 3.3Å; H176-G207 WeakPolarHBondContact ND1-CA 3.08Å; H176-G207 PolarHBondContact ND1-N 2.7Å; H176-G207 VanDerWaalsContact ND1-N 3.13Å; H176-N223 PolarHBondContact CD2-OD1 2.83Å; H176-N223 PolarHBondContact NE2-OD1 3.07Å
177G98.7Very high98.7Very high1 Ų118.5 Ų18.51%0.0110%0.096CC..  trans-69.456.1172.800000114H137 D171 H175 G179 V180 Q181H137-G177 WeakPolarHBondContact ND1-CA 3.29Å; D171-G177 VanDerWaalsContact OD2-CA 3.23Å; D171-G177 WeakPolarHBondContact OD2-CA 3.48Å; H175-G177 PolarHBondContact O-N 3.33Å; G177-G179 PolarHBondContact O-N 3.44Å; G177-V180 PolarHBondContact O-N 3.32Å; G177-Q181 PolarHBondContact O-N 2.68Å
178D98.7Very high98.6Very high14 Ų1420.9 Ų20.98%0.07511%0.109CC..Hα-helixtrans-67.7-33.5-167.173.3-42.4000113.5H138 K140 H176 E182 P204 T206H138-D178 WeakPolarHBondContact CA-OD1 3.35Å; H138-D178 IonicContact CE1-OD1 3.86Å; H138-D178 IonicContact CG-OD1 3.85Å; H138-D178 IonicContact ND1-OD1 2.83Å; H138-D178 PolarHBondContact ND1-OD1 2.89Å; K140-D178 WeakPolarHBondContact CE-OD2 3.43Å; K140-D178 VanDerWaalsContact NZ-CG 3.29Å; K140-D178 PolarHBondContact NZ-O 3.35Å; K140-D178 IonicContact NZ-OD1 2.83Å; K140-D178 IonicContact NZ-OD2 2.79Å; K140-D178 PolarHBondContact NZ-OD2 2.94Å; H176-D178 WeakPolarHBondContact ND1-CB 3.42Å; H176-D178 PolarHBondContact O-N 2.91Å; D178-E182 WeakPolarHBondContact O-CB 3.38Å; D178-E182 PolarHBondContact O-N 3.18Å; D178-P204 HydrophobicContact CB-CG 3.88Å; D178-T206 WeakPolarHBondContact CB-OG1 3.39Å
179G98.8Very high98.5Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-68.3-39175.500000112.7H137 G177 A183H137-G179 WeakPolarHBondContact O-CA 3.32Å; H137-G179 PolarHBondContact O-N 2.88Å; H137-G179 VanDerWaalsContact O-N 3.08Å; G177-G179 PolarHBondContact O-N 3.44Å; G179-A183 WeakPolarHBondContact O-CB 3.34Å; G179-A183 PolarHBondContact O-N 2.68Å; G179-A183 VanDerWaalsContact O-N 3.1Å
180V98.9Very high98.5Very high0 Ų023.9 Ų23.90%012%0.12CC..Hα-helixtrans-70.3-45.7175.4-174.10000110.7H137 I153 V154 Y169 G177 E182 A183 F184 T192H137-V180 HydrophobicContact CB-CG2 3.87Å; H137-V180 PolarHBondContact O-N 3.31Å; I153-V180 HydrophobicContact CB-CG2 3.93Å; I153-V180 HydrophobicContact CD1-CG2 4.03Å; I153-V180 HydrophobicContact CG2-CB 4.48Å; I153-V180 HydrophobicContact CG2-CG1 3.88Å; I153-V180 HydrophobicContact CG2-CG2 3.7Å; V154-V180 HydrophobicContact CG2-CB 4.48Å; V154-V180 HydrophobicContact CG2-CG1 4.44Å; V154-V180 HydrophobicContact CG2-CG2 4.35Å; Y169-V180 HydrophobicContact CD1-CB 4.22Å; Y169-V180 HydrophobicContact CD1-CG1 3.65Å; Y169-V180 HydrophobicContact CD2-CG1 4.19Å; Y169-V180 HydrophobicContact CE1-CB 3.84Å; Y169-V180 HydrophobicContact CE1-CG1 3.76Å; Y169-V180 HydrophobicContact CE1-CG2 4.16Å; Y169-V180 HydrophobicContact CE2-CG1 4.3Å; Y169-V180 HydrophobicContact CE2-CG2 4.39Å; Y169-V180 HydrophobicContact CG-CG1 3.87Å; G177-V180 PolarHBondContact O-N 3.32Å; V180-E182 VanDerWaalsContact C-N 3.33Å; V180-E182 PolarHBondContact O-N 3.49Å; V180-A183 PolarHBondContact O-N 2.82Å; V180-F184 HydrophobicContact CG1-CD2 4.02Å; V180-F184 HydrophobicContact CG1-CE2 4.2Å; V180-F184 WeakPolarHBondContact O-CD2 3.38Å; V180-F184 PolarHBondContact O-N 3.41Å; V180-T192 HydrophobicContact CG1-CG2 4.25Å
181Q98.8Very high98.5Very high7 Ų723.9 Ų23.93%0.03312%0.12CC..Hα-helixtrans-56.9-47.5175174.3171.6-75.800111.1H176 G177 A183 F184 Y185 E211 A221 N223H176-Q181 PolarHBondContact CE1-NE2 3.24Å; H176-Q181 VanDerWaalsContact CE1-NE2 3.34Å; H176-Q181 PolarHBondContact NE2-OE1 3.36Å; G177-Q181 PolarHBondContact O-N 2.68Å; Q181-A183 PolarHBondContact O-N 3.2Å; Q181-F184 CarbonylContact O-C 3.55Å; Q181-F184 PolarHBondContact O-N 3.23Å; Q181-Y185 HydrophobicContact CG-CD2 3.79Å; Q181-Y185 HydrophobicContact CG-CE2 4.22Å; Q181-Y185 WeakPolarHBondContact O-CA 3.1Å; Q181-Y185 WeakPolarHBondContact O-CB 3.18Å; Q181-Y185 PolarHBondContact O-N 2.99Å; Q181-E211 PolarHBondContact NE2-OE2 2.97Å; Q181-A221 HydrophobicContact CG-CB 4.12Å; Q181-N223 PolarHBondContact OE1-ND2 2.95Å; Q181-N223 PolarHBondContact OE1-OD1 2.85Å; Q181-N223 VanDerWaalsContact OE1-OD1 3.13Å
182E98.7Very high98.5Very high107 Ų10724.3 Ų24.350%0.512%0.122SC..Hα-helixtrans-61-45-179.9-175.2-175.6132.300112.1K140 D178 V180 F184 Y185K140-E182 WeakPolarHBondContact CD-OE2 3.5Å; K140-E182 WeakPolarHBondContact CE-OE2 3.38Å; K140-E182 IonicContact NZ-OE2 3.2Å; K140-E182 PolarHBondContact NZ-OE2 3.27Å; D178-E182 WeakPolarHBondContact O-CB 3.38Å; D178-E182 PolarHBondContact O-N 3.18Å; V180-E182 VanDerWaalsContact C-N 3.33Å; V180-E182 PolarHBondContact O-N 3.49Å; E182-F184 PolarHBondContact O-N 3.11Å; E182-Y185 PolarHBondContact O-N 3.05Å
183A98.7Very high98.5Very high36 Ų3624.3 Ų24.330%0.29812%0.122SC..Hα-helixtrans-58.9-31.5179.900000113.1F63 V154 G179 V180 Q181F63-A183 HydrophobicContact CD2-CB 4.48Å; F63-A183 HydrophobicContact CE2-CB 3.62Å; F63-A183 HydrophobicContact CZ-CB 3.84Å; V154-A183 HydrophobicContact CB-CB 4.34Å; V154-A183 HydrophobicContact CG1-CB 3.81Å; V154-A183 HydrophobicContact CG2-CB 3.49Å; V154-A183 VanDerWaalsContact CG2-CB 3.49Å; G179-A183 WeakPolarHBondContact O-CB 3.34Å; G179-A183 PolarHBondContact O-N 2.68Å; G179-A183 VanDerWaalsContact O-N 3.1Å; V180-A183 PolarHBondContact O-N 2.82Å; Q181-A183 PolarHBondContact O-N 3.2Å
184F98.7Very high98.5Very high14 Ų1424.5 Ų24.56%0.06112%0.124CC..Hα-helixtrans-113.29-176.7-61.5-61.3000114.5V154 T157 L158 L161 V180 Q181 E182 L186 T187 V190V154-F184 HydrophobicContact CB-CE2 4.28Å; V154-F184 HydrophobicContact CB-CZ 4.41Å; V154-F184 HydrophobicContact CG1-CE2 4.13Å; V154-F184 HydrophobicContact CG1-CZ 3.86Å; V154-F184 HydrophobicContact CG2-CE2 3.94Å; T157-F184 HydrophobicContact CG2-CE1 4.11Å; T157-F184 HydrophobicContact CG2-CE2 3.68Å; T157-F184 HydrophobicContact CG2-CZ 3.42Å; T157-F184 VanDerWaalsContact CG2-CZ 3.42Å; L158-F184 HydrophobicContact CD2-CE1 4.09Å; L158-F184 HydrophobicContact CD2-CZ 4.48Å; L158-F184 HydrophobicContact CG-CZ 4.45Å; L161-F184 HydrophobicContact CD1-CE1 4.22Å; V180-F184 HydrophobicContact CG1-CD2 4.02Å; V180-F184 HydrophobicContact CG1-CE2 4.2Å; V180-F184 WeakPolarHBondContact O-CD2 3.38Å; V180-F184 PolarHBondContact O-N 3.41Å; Q181-F184 CarbonylContact O-C 3.55Å; Q181-F184 PolarHBondContact O-N 3.23Å; E182-F184 PolarHBondContact O-N 3.11Å; F184-L186 PolarHBondContact O-N 3.04Å; F184-T187 HydrophobicContact CB-CG2 3.83Å; F184-T187 HydrophobicContact CD1-CG2 3.86Å; F184-T187 HydrophobicContact CG-CG2 4.31Å; F184-T187 VanDerWaalsContact O-CG2 3.3Å; F184-T187 WeakPolarHBondContact O-CG2 3.47Å; F184-T187 PolarHBondContact O-N 3.08Å; F184-T187 VanDerWaalsContact O-N 3.08Å; F184-V190 HydrophobicContact CB-CB 3.89Å; F184-V190 HydrophobicContact CB-CG1 4.12Å; F184-V190 HydrophobicContact CB-CG2 4.46Å; F184-V190 HydrophobicContact CD1-CB 3.98Å; F184-V190 HydrophobicContact CD1-CG1 4.45Å; F184-V190 HydrophobicContact CD1-CG2 3.58Å; F184-V190 HydrophobicContact CD2-CB 4.2Å; F184-V190 HydrophobicContact CD2-CG1 3.79Å; F184-V190 HydrophobicContact CD2-CG2 4.3Å; F184-V190 HydrophobicContact CE1-CG2 3.81Å; F184-V190 HydrophobicContact CE2-CG1 4.33Å; F184-V190 HydrophobicContact CE2-CG2 4.48Å; F184-V190 HydrophobicContact CG-CB 3.75Å; F184-V190 HydrophobicContact CG-CG1 3.86Å; F184-V190 HydrophobicContact CG-CG2 3.85Å; F184-V190 HydrophobicContact CZ-CG2 4.26Å
185Y98.5Very high98.5Very high68 Ų6824.5 Ų24.527%0.26712%0.124SC..THydrogen-bonded Turntrans-58.4-22.5-172.7-157.8-106.9000114.7Q181 E182 G213 A214 A221Q181-Y185 HydrophobicContact CG-CD2 3.79Å; Q181-Y185 HydrophobicContact CG-CE2 4.22Å; Q181-Y185 WeakPolarHBondContact O-CA 3.1Å; Q181-Y185 WeakPolarHBondContact O-CB 3.18Å; Q181-Y185 PolarHBondContact O-N 2.99Å; E182-Y185 PolarHBondContact O-N 3.05Å; Y185-G213 VanDerWaalsContact CE2-CA 3.46Å; Y185-G213 WeakPolarHBondContact O-CA 3.24Å; Y185-G213 PolarHBondContact OH-N 3.48Å; Y185-A214 HydrophobicContact CD1-CB 3.93Å; Y185-A214 HydrophobicContact CE1-CB 3.75Å; Y185-A214 PolarHBondContact O-N 3.28Å; Y185-A221 HydrophobicContact CE2-CB 4.42Å
186L98.2Very high98.5Very high88 Ų8824 Ų2446%0.46112%0.121SC..THydrogen-bonded Turntrans-105.8-0.8-174.7-57.3-176000114.4F184 A214 K215 G217F184-L186 PolarHBondContact O-N 3.04Å; L186-A214 WeakPolarHBondContact CA-O 3.13Å; L186-A214 HydrophobicContact CD2-CB 3.75Å; L186-K215 HydrophobicContact CD1-CD 4.35Å; L186-K215 HydrophobicContact CD2-CB 4.35Å; L186-K215 HydrophobicContact CD2-CD 4.14Å; L186-K215 HydrophobicContact CD2-CG 4.15Å; L186-G217 VanDerWaalsContact C-N 3.34Å; L186-G217 PolarHBondContact O-N 3.03Å; L186-G217 VanDerWaalsContact O-N 3.17Å
187T96.9Very high98.5Very high39 Ų3924.8 Ų24.824%0.23912%0.124CC..  trans-114.4147.4-176.3-173.30000112.1F184 R189 V190 G217F184-T187 HydrophobicContact CB-CG2 3.83Å; F184-T187 HydrophobicContact CD1-CG2 3.86Å; F184-T187 HydrophobicContact CG-CG2 4.31Å; F184-T187 VanDerWaalsContact O-CG2 3.3Å; F184-T187 WeakPolarHBondContact O-CG2 3.47Å; F184-T187 PolarHBondContact O-N 3.08Å; F184-T187 VanDerWaalsContact O-N 3.08Å; T187-R189 PolarHBondContact OG1-N 3.16Å; T187-R189 VanDerWaalsContact OG1-N 3.17Å; T187-V190 HydrophobicContact CG2-CB 4.29Å; T187-V190 HydrophobicContact CG2-CG2 4.39Å; T187-G217 VanDerWaalsContact C-CA 3.44Å; T187-G217 WeakPolarHBondContact O-CA 3.44Å
188D96.6Very high98.5Very high50 Ų5028.1 Ų28.127%0.26714%0.137SC..SBendtrans-91.4-9.5171.558.8-0.2000112.4V190 Y220 Y250 P378D188-V190 VanDerWaalsContact C-N 3.29Å; D188-V190 PolarHBondContact O-N 3.21Å; D188-Y220 HydrophobicContact CB-CD1 4.21Å; D188-Y220 HydrophobicContact CB-CD2 3.88Å; D188-Y220 HydrophobicContact CB-CE1 3.86Å; D188-Y220 HydrophobicContact CB-CE2 3.45Å; D188-Y220 VanDerWaalsContact CB-CE2 3.45Å; D188-Y220 HydrophobicContact CB-CG 4.24Å; D188-Y220 VanDerWaalsContact CB-CZ 3.44Å; D188-Y220 WeakPolarHBondContact O-CD1 3.32Å; D188-Y220 WeakPolarHBondContact O-CE1 3.38Å; D188-Y250 VanDerWaalsContact O-CE2 3.24Å; D188-Y250 WeakPolarHBondContact O-CE2 3.42Å; D188-Y250 PolarHBondContact O-OH 3.27Å; D188-P378 HydrophobicContact CB-CB 4.03Å; D188-P378 HydrophobicContact CB-CG 3.95Å; D188-P378 VanDerWaalsContact O-CG 3.29Å; D188-P378 WeakPolarHBondContact O-CG 3.4Å; D188-P378 WeakPolarHBondContact OD2-CB 3.21Å
189R97.8Very high98.4Very high64 Ų6428.8 Ų28.824%0.24215%0.147CC..SBendtrans-79.6-11.3-178.4-64-167.360.7-167-1.8114.6L161 N164 P165 R166 V167 T187 Y250 V380L161-R189 HydrophobicContact CD2-CB 3.81Å; L161-R189 WeakPolarHBondContact CD2-O 3.36Å; L161-R189 PolarHBondContact O-NH2 3.49Å; N164-R189 PolarHBondContact O-NH2 3.12Å; P165-R189 PolarHBondContact O-NE 3.34Å; R166-R189 WeakPolarHBondContact CA-O 3.32Å; V167-R189 PolarHBondContact N-O 2.89Å; T187-R189 PolarHBondContact OG1-N 3.16Å; T187-R189 VanDerWaalsContact OG1-N 3.17Å; R189-Y250 PolarHBondContact O-OH 2.85Å; R189-V380 HydrophobicContact CG-CG2 4.22Å
190V98.7Very high98.2Very high1 Ų135.4 Ų35.41%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-129127.3170.7-175.80000107.6T157 L161 V167 F184 T187 D188 T192 Y250T157-V190 HydrophobicContact CG2-CG1 4.17Å; T157-V190 HydrophobicContact CG2-CG2 3.67Å; L161-V190 HydrophobicContact CD1-CG2 3.73Å; L161-V190 HydrophobicContact CD2-CG2 4.08Å; L161-V190 HydrophobicContact CG-CG2 4.26Å; V167-V190 HydrophobicContact CB-CG2 4.4Å; V167-V190 VanDerWaalsContact O-CA 3.29Å; V167-V190 WeakPolarHBondContact O-CA 3.29Å; F184-V190 HydrophobicContact CB-CB 3.89Å; F184-V190 HydrophobicContact CB-CG1 4.12Å; F184-V190 HydrophobicContact CB-CG2 4.46Å; F184-V190 HydrophobicContact CD1-CB 3.98Å; F184-V190 HydrophobicContact CD1-CG1 4.45Å; F184-V190 HydrophobicContact CD1-CG2 3.58Å; F184-V190 HydrophobicContact CD2-CB 4.2Å; F184-V190 HydrophobicContact CD2-CG1 3.79Å; F184-V190 HydrophobicContact CD2-CG2 4.3Å; F184-V190 HydrophobicContact CE1-CG2 3.81Å; F184-V190 HydrophobicContact CE2-CG1 4.33Å; F184-V190 HydrophobicContact CE2-CG2 4.48Å; F184-V190 HydrophobicContact CG-CB 3.75Å; F184-V190 HydrophobicContact CG-CG1 3.86Å; F184-V190 HydrophobicContact CG-CG2 3.85Å; F184-V190 HydrophobicContact CZ-CG2 4.26Å; T187-V190 HydrophobicContact CG2-CB 4.29Å; T187-V190 HydrophobicContact CG2-CG2 4.39Å; D188-V190 VanDerWaalsContact C-N 3.29Å; D188-V190 PolarHBondContact O-N 3.21Å; V190-T192 HydrophobicContact CG1-CG2 4.39Å; V190-Y250 WeakPolarHBondContact CA-OH 3.31Å; V190-Y250 PolarHBondContact N-OH 3.13Å
191M98.7Very high98Very high0 Ų044.3 Ų44.30%023%0.226CC..EExtended strand (participates in β ladder)trans-104.9125.4168.3-176.5172.9-7600108.6V167 L168 Y169 V193 Y220 V222 V246 Y250 L371 L374V167-M191 PolarHBondContact O-N 2.89Å; L168-M191 HydrophobicContact CD1-CB 4.23Å; L168-M191 HydrophobicContact CD1-CG 4.34Å; Y169-M191 PolarHBondContact N-O 2.75Å; M191-V193 HydrophobicContact CG-CG2 4.4Å; M191-Y220 CarbonylContact C-O 3.6Å; M191-Y220 VanDerWaalsContact CA-O 3.24Å; M191-Y220 WeakPolarHBondContact CA-O 3.47Å; M191-Y220 HydrophobicContact CB-CD1 4.36Å; M191-Y220 HydrophobicContact CE-CD1 3.57Å; M191-Y220 HydrophobicContact CE-CE1 4.03Å; M191-Y220 HydrophobicContact CE-CG 4.3Å; M191-Y220 WeakPolarHBondContact CG-O 3.49Å; M191-V222 HydrophobicContact CG-CG2 4.37Å; M191-V222 HydrophobicContact SD-CG2 4.28Å; M191-V246 HydrophobicContact SD-CB 4.45Å; M191-V246 HydrophobicContact SD-CG1 3.73Å; M191-V246 HydrophobicContact SD-CG2 4.28Å; M191-Y250 HydrophobicContact CB-CD1 3.61Å; M191-Y250 HydrophobicContact CB-CD2 4.19Å; M191-Y250 HydrophobicContact CB-CE1 3.47Å; M191-Y250 VanDerWaalsContact CB-CE1 3.47Å; M191-Y250 HydrophobicContact CB-CE2 4.08Å; M191-Y250 HydrophobicContact CB-CG 3.97Å; M191-Y250 HydrophobicContact CE-CD1 4.48Å; M191-Y250 HydrophobicContact CE-CD2 3.58Å; M191-Y250 HydrophobicContact CE-CE2 4.32Å; M191-Y250 HydrophobicContact CE-CG 3.68Å; M191-Y250 HydrophobicContact CG-CD1 4.47Å; M191-Y250 PolarHBondContact N-OH 3.4Å; M191-Y250 HydrophobicContact SD-CD1 4.16Å; M191-Y250 HydrophobicContact SD-CD2 4.31Å; M191-Y250 HydrophobicContact SD-CG 3.82Å; M191-L371 HydrophobicContact CE-CD2 4.13Å; M191-L371 HydrophobicContact SD-CD2 4.23Å; M191-L374 HydrophobicContact CE-CD1 3.56Å
192T98.9Very high97.9Very high8 Ų845.6 Ų45.65%0.04923%0.232CC..EExtended strand (participates in β ladder)trans-98.4135.5174.661.10000109.8Y169 V180 V190 Y220 V222Y169-T192 HydrophobicContact CD1-CG2 3.93Å; Y169-T192 CarbonylContact O-C 3.55Å; V180-T192 HydrophobicContact CG1-CG2 4.25Å; V190-T192 HydrophobicContact CG1-CG2 4.39Å; T192-Y220 PolarHBondContact N-O 3.04Å; T192-V222 WeakPolarHBondContact O-CB 3.38Å; T192-V222 PolarHBondContact O-N 3.26Å
193V98.9Very high97.9Very high0 Ų044.1 Ų44.10%022%0.224CC..EExtended strand (participates in β ladder)trans-131.5116.8174.7-170.20000108.3L168 Y169 I170 D171 M191 F195 V222 V242 I243 V246L168-V193 HydrophobicContact CD1-CG2 3.62Å; Y169-V193 PolarHBondContact O-N 3.36Å; I170-V193 CarbonylContact C-O 3.56Å; I170-V193 WeakPolarHBondContact CA-O 3.45Å; D171-V193 PolarHBondContact N-O 3.31Å; M191-V193 HydrophobicContact CG-CG2 4.4Å; V193-F195 HydrophobicContact CG1-CD2 4.31Å; V193-F195 HydrophobicContact CG1-CE2 3.52Å; V193-F195 HydrophobicContact CG1-CZ 3.92Å; V193-V222 VanDerWaalsContact CA-O 3.29Å; V193-V222 WeakPolarHBondContact CA-O 3.34Å; V193-V222 HydrophobicContact CB-CB 4.43Å; V193-V222 HydrophobicContact CG1-CB 4.26Å; V193-V222 HydrophobicContact CG1-CG1 4.12Å; V193-V222 HydrophobicContact CG2-CB 4.09Å; V193-V222 HydrophobicContact CG2-CG2 4.46Å; V193-V242 HydrophobicContact CG1-CG1 3.87Å; V193-I243 HydrophobicContact CB-CD1 4.42Å; V193-I243 HydrophobicContact CG1-CD1 4.04Å; V193-V246 HydrophobicContact CG2-CG1 3.98Å; V193-V246 HydrophobicContact CG2-CG2 3.85Å
194S98.9Very high97.9Very high4 Ų443.9 Ų43.93%0.02822%0.219CC..EExtended strand (participates in β ladder)trans-126.7132.2-177.8-177.50000111.6H196 V222 V224S194-H196 WeakPolarHBondContact CB-ND1 3.43Å; S194-H196 PolarHBondContact OG-ND1 3.41Å; S194-V222 PolarHBondContact N-O 2.95Å; S194-V224 PolarHBondContact O-N 2.78Å
195F98.9Very high97.8Very high0 Ų045.2 Ų45.20%024%0.237CC..EExtended strand (participates in β ladder)trans-113.284.9180-63.6-96.8000110D171 V193 V224 L226 Y235 F239 V242 I243D171-F195 PolarHBondContact O-N 3.25Å; V193-F195 HydrophobicContact CG1-CD2 4.31Å; V193-F195 HydrophobicContact CG1-CE2 3.52Å; V193-F195 HydrophobicContact CG1-CZ 3.92Å; F195-V224 HydrophobicContact CD1-CB 3.64Å; F195-V224 HydrophobicContact CD1-CG1 3.71Å; F195-V224 HydrophobicContact CD1-CG2 3.83Å; F195-V224 HydrophobicContact CE1-CB 3.99Å; F195-V224 HydrophobicContact CE1-CG1 4.01Å; F195-V224 HydrophobicContact CE1-CG2 3.66Å; F195-V224 HydrophobicContact CG-CB 4.22Å; F195-V224 HydrophobicContact CG-CG2 4.45Å; F195-V224 HydrophobicContact CZ-CG2 4.17Å; F195-L226 HydrophobicContact CB-CD1 4.38Å; F195-Y235 HydrophobicContact CB-CE2 3.97Å; F195-Y235 VanDerWaalsContact CB-OH 3.28Å; F195-Y235 WeakPolarHBondContact CB-OH 3.28Å; F195-F239 HydrophobicContact CD1-CD2 4.4Å; F195-F239 AromaticContact CD2-CD2 3.81Å; F195-F239 HydrophobicContact CD2-CD2 3.81Å; F195-F239 HydrophobicContact CD2-CE2 4.14Å; F195-F239 HydrophobicContact CE1-CB 4.22Å; F195-F239 HydrophobicContact CE1-CD2 4.16Å; F195-F239 AromaticContact CE2-CD2 3.51Å; F195-F239 HydrophobicContact CE2-CD2 3.51Å; F195-F239 AromaticContact CE2-CE2 3.81Å; F195-F239 HydrophobicContact CE2-CE2 3.81Å; F195-F239 HydrophobicContact CG-CD2 4.24Å; F195-F239 HydrophobicContact CZ-CB 4.39Å; F195-F239 AromaticContact CZ-CD2 3.7Å; F195-F239 HydrophobicContact CZ-CD2 3.7Å; F195-F239 HydrophobicContact CZ-CE2 4.36Å; F195-F239 HydrophobicContact CZ-CG 4.34Å; F195-V242 HydrophobicContact CE1-CB 4Å; F195-V242 HydrophobicContact CE1-CG1 4.18Å; F195-V242 HydrophobicContact CE1-CG2 4.27Å; F195-V242 HydrophobicContact CZ-CB 3.78Å; F195-V242 HydrophobicContact CZ-CG1 3.66Å; F195-I243 HydrophobicContact CE2-CD1 3.94Å; F195-I243 HydrophobicContact CE2-CG1 4.25Å; F195-I243 HydrophobicContact CZ-CD1 4.16Å; F195-I243 HydrophobicContact CZ-CG1 4.17Å
196H98.9Very high97.8Very high0 Ų044.1 Ų44.10%024%0.237CC..EExtended strand (participates in β ladder)trans-126.1165.6-167.952.8-96.9000111.3V174 H175 H176 S194 G207 V224 L226V174-H196 CarbonylContact O-C 3.51Å; V174-H196 WeakPolarHBondContact O-CA 3.43Å; V174-H196 VanDerWaalsContact O-CB 3.28Å; V174-H196 WeakPolarHBondContact O-CB 3.34Å; H175-H196 VanDerWaalsContact C-CB 3.48Å; H176-H196 HydrophobicContact CB-CB 4.29Å; H176-H196 AromaticContact CD2-CE1 3.53Å; H176-H196 AromaticContact CD2-ND1 3.7Å; H176-H196 AromaticContact CG-CE1 3.77Å; H176-H196 AromaticContact CG-ND1 3.96Å; S194-H196 WeakPolarHBondContact CB-ND1 3.43Å; S194-H196 PolarHBondContact OG-ND1 3.41Å; H196-G207 WeakPolarHBondContact NE2-CA 3.36Å; H196-G207 PolarHBondContact NE2-O 3.12Å; H196-V224 PolarHBondContact N-O 2.82Å; H196-L226 PolarHBondContact O-N 3.31Å
197R98.5Very high97.8Very high19 Ų1939.9 Ų39.97%0.07222%0.216CC..EExtended strand (participates in β ladder)trans-78.9130.1172.8-168.9-93.1-175.1-158.216.2109.6V174 G199 F202 L226 E228 V271 F272V174-R197 HydrophobicContact CG2-CB 3.89Å; V174-R197 PolarHBondContact O-N 2.88Å; R197-G199 PolarHBondContact NH1-O 3.42Å; R197-F202 HydrophobicContact CB-CD1 4.04Å; R197-F202 HydrophobicContact CB-CE1 3.85Å; R197-F202 HydrophobicContact CB-CZ 4.3Å; R197-F202 HydrophobicContact CG-CD1 4.43Å; R197-F202 WeakPolarHBondContact O-CD1 3.48Å; R197-L226 WeakPolarHBondContact CA-O 3.4Å; R197-E228 IonicContact CZ-OE2 3.57Å; R197-E228 IonicContact NE-OE2 3.77Å; R197-E228 IonicContact NH2-OE2 2.78Å; R197-E228 PolarHBondContact NH2-OE2 3.3Å; R197-E228 VanDerWaalsContact NH2-OE2 3.14Å; R197-V271 HydrophobicContact CB-CG2 4.26Å; R197-V271 HydrophobicContact CG-CG2 3.66Å; R197-F272 HydrophobicContact CB-CD1 4.42Å; R197-F272 HydrophobicContact CB-CE1 3.55Å; R197-F272 HydrophobicContact CB-CZ 3.82Å; R197-F272 HydrophobicContact CG-CE1 3.96Å
198Y98.4Very high97.8Very high71 Ų7140 Ų4028%0.27821%0.214SC..  trans-129.5155.9-178.3-176.7-102.4000113.1T206 D208 P225 L226Y198-T206 WeakPolarHBondContact CD2-O 3.49Å; Y198-D208 HydrophobicContact CE1-CB 4.02Å; Y198-D208 HydrophobicContact CE2-CB 4.15Å; Y198-D208 WeakPolarHBondContact OH-CB 3.43Å; Y198-P225 HydrophobicContact CD1-CB 3.85Å; Y198-P225 HydrophobicContact CG-CB 3.78Å; Y198-L226 PolarHBondContact N-O 2.64Å
199G96.3Very high97.8Very high28 Ų2839.8 Ų39.829%0.28921%0.213SC..SBendtrans103.2-177.7179.500000113.7R197 M201 F202R197-G199 PolarHBondContact NH1-O 3.42Å; G199-M201 PolarHBondContact O-N 3.04Å; G199-F202 PolarHBondContact O-N 3.23Å
200N95.1Very high97.7Very high140 Ų14044.5 Ų44.575%0.74923%0.232SC*.THydrogen-bonded Turntrans42.634.8171.3-58.7-23.3000116.3F202N200-F202 PolarHBondContact O-N 3.38Å
201M94.7Very high97.7Very high186 Ų18646.7 Ų46.792%0.91624%0.242SC*.THydrogen-bonded Turntrans56.124.8-176.3-52.4178.5-67.900115.3G199 F203G199-M201 PolarHBondContact O-N 3.04Å; M201-F203 PolarHBondContact O-N 3.42Å
202F97.7Very high97.7Very high35 Ų3548.2 Ų48.215%0.15425%0.249CC..  trans-66.9133.8173.3-175.3-93.9000109.9V174 H175 R197 G199 N200 G205 V271V174-F202 HydrophobicContact CG1-CZ 4.23Å; V174-F202 HydrophobicContact CG2-CE1 4.44Å; V174-F202 HydrophobicContact CG2-CZ 4.21Å; H175-F202 AromaticContact CD2-CE1 3.43Å; H175-F202 VanDerWaalsContact CD2-CE1 3.43Å; H175-F202 WeakPolarHBondContact CD2-CE1 3.5Å; H175-F202 AromaticContact CD2-CZ 3.72Å; H175-F202 AromaticContact NE2-CE1 3.82Å; H175-F202 AromaticContact NE2-CZ 3.58Å; R197-F202 HydrophobicContact CB-CD1 4.04Å; R197-F202 HydrophobicContact CB-CE1 3.85Å; R197-F202 HydrophobicContact CB-CZ 4.3Å; R197-F202 HydrophobicContact CG-CD1 4.43Å; R197-F202 WeakPolarHBondContact O-CD1 3.48Å; G199-F202 PolarHBondContact O-N 3.23Å; N200-F202 PolarHBondContact O-N 3.38Å; F202-G205 WeakPolarHBondContact O-CA 3.27Å; F202-G205 PolarHBondContact O-N 2.92Å; F202-V271 HydrophobicContact CE2-CG1 4.46Å; F202-V271 HydrophobicContact CE2-CG2 4.09Å; F202-V271 HydrophobicContact CZ-CG2 4.43Å
203F98.3Very high97.6Very high76 Ų7648.2 Ų48.233%0.33325%0.251SS..THydrogen-bonded Turntrans-57.9138.4-174.6-178.2-94.1000110.9H138 G146 H175 M201H138-F203 AromaticContact CD2-CE1 3.76Å; H138-F203 AromaticContact CE1-CE1 3.63Å; H138-F203 AromaticContact CG-CE1 3.99Å; H138-F203 AromaticContact ND1-CE1 3.9Å; H138-F203 AromaticContact NE2-CE1 3.49Å; H138-F203 WeakPolarHBondContact NE2-CE1 3.47Å; G146-F203 VanDerWaalsContact CA-CZ 3.47Å; H175-F203 PolarHBondContact CD2-O 3.41Å; M201-F203 PolarHBondContact O-N 3.42Å
204P98.1Very high97.6Very high30 Ų3049.9 Ų49.920%0.19527%0.265CS..THydrogen-bonded Turncis-88.17.71.534.7-35.9000115H176 D178 T206H176-P204 HydrophobicContact CB-CG 4.04Å; D178-P204 HydrophobicContact CB-CG 3.88Å; P204-T206 VanDerWaalsContact C-N 3.25Å; P204-T206 WeakPolarHBondContact CG-OG1 3.49Å; P204-T206 PolarHBondContact O-N 3.24Å
205G97.4Very high97.5Very high42 Ų4258 Ų5843%0.43330%0.3SS..SBendtrans787.2-177.100000114.7F202F202-G205 WeakPolarHBondContact O-CA 3.27Å; F202-G205 PolarHBondContact O-N 2.92Å
206T98.2Very high97.3Very high45 Ų4560.8 Ų60.828%0.27632%0.323SS..  trans-116178.2174.562.40000110.2H176 D178 Y198 P204 E211H176-T206 VanDerWaalsContact ND1-C 3.31Å; H176-T206 PolarHBondContact ND1-OG1 3.34Å; D178-T206 WeakPolarHBondContact CB-OG1 3.39Å; Y198-T206 WeakPolarHBondContact CD2-O 3.49Å; P204-T206 VanDerWaalsContact C-N 3.25Å; P204-T206 WeakPolarHBondContact CG-OG1 3.49Å; P204-T206 PolarHBondContact O-N 3.24Å; T206-E211 WeakPolarHBondContact CA-OE1 3.42Å
207G98.1Very high97.2Very high0 Ų060.9 Ų60.90%032%0.323CS..  trans93.824.6-178.200000112.8H176 H196 E211 N223H176-G207 VanDerWaalsContact CE1-CA 3.48Å; H176-G207 WeakPolarHBondContact CE1-CA 3.14Å; H176-G207 PolarHBondContact CE1-N 3.12Å; H176-G207 VanDerWaalsContact ND1-CA 3.3Å; H176-G207 WeakPolarHBondContact ND1-CA 3.08Å; H176-G207 PolarHBondContact ND1-N 2.7Å; H176-G207 VanDerWaalsContact ND1-N 3.13Å; H196-G207 WeakPolarHBondContact NE2-CA 3.36Å; H196-G207 PolarHBondContact NE2-O 3.12Å; G207-E211 VanDerWaalsContact N-CD 3.34Å; G207-E211 PolarHBondContact N-OE1 3.45Å; G207-E211 PolarHBondContact N-OE2 2.98Å; G207-N223 WeakPolarHBondContact O-CB 3.35Å
208D97.1Very high97.1Very high40 Ų4064.7 Ų64.721%0.21434%0.34CS..  trans-60.1150.1169.1-161.9-10.8000110Y198 Y210 E211 N223Y198-D208 HydrophobicContact CE1-CB 4.02Å; Y198-D208 HydrophobicContact CE2-CB 4.15Å; Y198-D208 WeakPolarHBondContact OH-CB 3.43Å; D208-Y210 PolarHBondContact O-N 3.43Å; D208-Y210 WeakPolarHBondContact OD2-CD2 3.38Å; D208-E211 HydrophobicContact CB-CG 4.31Å; D208-E211 PolarHBondContact N-OE1 3.4Å; D208-E211 WeakPolarHBondContact O-CB 3.38Å; D208-E211 PolarHBondContact O-N 3.44Å; D208-N223 WeakPolarHBondContact O-CB 3.28Å; D208-N223 PolarHBondContact O-ND2 3.36Å
209M95.7Very high97.1Very high47 Ų4763.8 Ų63.823%0.23234%0.337CS..THydrogen-bonded Turntrans-60-16.4175.657.6168.5159.500113.3I212 P225 L363 T366M209-I212 WeakPolarHBondContact O-CG2 3.26Å; M209-P225 HydrophobicContact CB-CG 3.89Å; M209-P225 HydrophobicContact CG-CG 4.4Å; M209-L363 HydrophobicContact SD-CD2 4.34Å; M209-T366 HydrophobicContact SD-CG2 4.26Å
210Y96.5Very high97.2Very high163 Ų16363.5 Ų63.564%0.63933%0.327SS*.THydrogen-bonded Turntrans-88.4-10.3176.7-54.9-59.7000113.9D208 I212D208-Y210 PolarHBondContact O-N 3.43Å; D208-Y210 WeakPolarHBondContact OD2-CD2 3.38Å; Y210-I212 PolarHBondContact O-N 2.9Å
211E98.3Very high97.4Very high47 Ų4757 Ų5722%0.2229%0.293CS..  trans-78.473.6173.4-66.8177-131.400110.5Q181 T206 G207 D208 N223Q181-E211 PolarHBondContact NE2-OE2 2.97Å; T206-E211 WeakPolarHBondContact CA-OE1 3.42Å; G207-E211 VanDerWaalsContact N-CD 3.34Å; G207-E211 PolarHBondContact N-OE1 3.45Å; G207-E211 PolarHBondContact N-OE2 2.98Å; D208-E211 HydrophobicContact CB-CG 4.31Å; D208-E211 PolarHBondContact N-OE1 3.4Å; D208-E211 WeakPolarHBondContact O-CB 3.38Å; D208-E211 PolarHBondContact O-N 3.44Å; E211-N223 PolarHBondContact O-ND2 3.46Å
212I98.2Very high97.6Very high31 Ų3148.7 Ų48.716%0.15925%0.253CS..  trans-95.511.9-168.359.6168.5000114.8M209 Y210 K218 Y219 A221M209-I212 WeakPolarHBondContact O-CG2 3.26Å; Y210-I212 PolarHBondContact O-N 2.9Å; I212-K218 HydrophobicContact CD1-CG 4.18Å; I212-K218 CarbonylContact O-C 3.58Å; I212-Y219 HydrophobicContact CD1-CD1 3.89Å; I212-Y219 HydrophobicContact CD1-CE1 3.58Å; I212-Y219 WeakPolarHBondContact O-CA 3.28Å; I212-Y219 PolarHBondContact O-N 3.03Å; I212-A221 WeakPolarHBondContact CA-O 3.34Å
213G98Very high97.6Very high8 Ų847.3 Ų47.38%0.08225%0.247CC..  trans85.1171.6-17200000113.2Y185 G217Y185-G213 VanDerWaalsContact CE2-CA 3.46Å; Y185-G213 WeakPolarHBondContact O-CA 3.24Å; Y185-G213 PolarHBondContact OH-N 3.48Å; G213-G217 WeakPolarHBondContact CA-O 3.14Å
214A97.8Very high97.7Very high35 Ų3543.8 Ų43.829%0.28923%0.231SC..  trans-142.8165.2-17700000112.7Y185 L186 A216 G217 K218Y185-A214 HydrophobicContact CD1-CB 3.93Å; Y185-A214 HydrophobicContact CE1-CB 3.75Å; Y185-A214 PolarHBondContact O-N 3.28Å; L186-A214 WeakPolarHBondContact CA-O 3.13Å; L186-A214 HydrophobicContact CD2-CB 3.75Å; A214-A216 PolarHBondContact O-N 2.91Å; A214-G217 CarbonylContact O-C 3.53Å; A214-G217 WeakPolarHBondContact O-CA 3.44Å; A214-G217 PolarHBondContact O-N 3.03Å; A214-K218 PolarHBondContact O-N 2.6Å
215K96.6Very high97.7Very high176 Ų17642.4 Ų42.477%0.76522%0.223SC*.G310 helixtrans52.1-125.4-175.9-58-178.2-178.61750110.5L186 G217 K218L186-K215 HydrophobicContact CD1-CD 4.35Å; L186-K215 HydrophobicContact CD2-CB 4.35Å; L186-K215 HydrophobicContact CD2-CD 4.14Å; L186-K215 HydrophobicContact CD2-CG 4.15Å; K215-G217 VanDerWaalsContact C-N 3.28Å; K215-G217 PolarHBondContact O-N 3.41Å; K215-K218 PolarHBondContact O-N 3.27Å
216A95.2Very high97.7Very high58 Ų5840.4 Ų40.448%0.47920%0.202SC..G310 helixtrans-67.2-30.2177.500000112.2A214 K218 Y220A214-A216 PolarHBondContact O-N 2.91Å; A216-K218 VanDerWaalsContact C-N 3.26Å; A216-K218 PolarHBondContact O-N 2.99Å; A216-Y220 WeakPolarHBondContact O-CE2 3.2Å
217G96.8Very high97.8Very high1 Ų142.1 Ų42.11%0.0121%0.206CC..G310 helixtrans-79.65.717800000115.6L186 T187 G213 A214 K215 Y219 Y220L186-G217 VanDerWaalsContact C-N 3.34Å; L186-G217 PolarHBondContact O-N 3.03Å; L186-G217 VanDerWaalsContact O-N 3.17Å; T187-G217 VanDerWaalsContact C-CA 3.44Å; T187-G217 WeakPolarHBondContact O-CA 3.44Å; G213-G217 WeakPolarHBondContact CA-O 3.14Å; A214-G217 CarbonylContact O-C 3.53Å; A214-G217 WeakPolarHBondContact O-CA 3.44Å; A214-G217 PolarHBondContact O-N 3.03Å; K215-G217 VanDerWaalsContact C-N 3.28Å; K215-G217 PolarHBondContact O-N 3.41Å; G217-Y219 PolarHBondContact O-N 2.79Å; G217-Y220 WeakPolarHBondContact O-CB 3.21Å; G217-Y220 PolarHBondContact O-N 2.89Å
218K97.6Very high97.7Very high100 Ų10045.5 Ų45.544%0.43522%0.222SC..THydrogen-bonded Turntrans-62.6130.3175.4-169.3-176.9178.6-175.40110.5I212 A214 K215 A216 Y220I212-K218 HydrophobicContact CD1-CG 4.18Å; I212-K218 CarbonylContact O-C 3.58Å; A214-K218 PolarHBondContact O-N 2.6Å; K215-K218 PolarHBondContact O-N 3.27Å; A216-K218 VanDerWaalsContact C-N 3.26Å; A216-K218 PolarHBondContact O-N 2.99Å; K218-Y220 VanDerWaalsContact C-N 3.3Å; K218-Y220 VanDerWaalsContact O-CD2 3.28Å; K218-Y220 WeakPolarHBondContact O-CD2 3.23Å
219Y98Very high97.8Very high51 Ų5143.6 Ų43.620%0.221%0.211CC..THydrogen-bonded Turntrans71.47.8-169.8-52.8-72.8000116.2I212 G217 N370 Q373I212-Y219 HydrophobicContact CD1-CD1 3.89Å; I212-Y219 HydrophobicContact CD1-CE1 3.58Å; I212-Y219 WeakPolarHBondContact O-CA 3.28Å; I212-Y219 PolarHBondContact O-N 3.03Å; G217-Y219 PolarHBondContact O-N 2.79Å; Y219-N370 HydrophobicContact CD1-CB 3.91Å; Y219-N370 HydrophobicContact CE1-CB 4.36Å; Y219-Q373 HydrophobicContact CD1-CB 4.2Å; Y219-Q373 HydrophobicContact CD1-CG 4.24Å; Y219-Q373 HydrophobicContact CD2-CB 3.66Å; Y219-Q373 HydrophobicContact CD2-CG 4.37Å; Y219-Q373 HydrophobicContact CE1-CB 4.1Å; Y219-Q373 HydrophobicContact CE1-CG 3.76Å; Y219-Q373 HydrophobicContact CE2-CB 3.54Å; Y219-Q373 HydrophobicContact CE2-CG 3.92Å; Y219-Q373 HydrophobicContact CG-CB 3.99Å
220Y98.2Very high97.9Very high22 Ų2241.4 Ų41.49%0.08620%0.2CC..  trans-101-1.1176.1-64.8-93.2000113.5D188 M191 T192 A216 G217 K218 Y250 L374 P378D188-Y220 HydrophobicContact CB-CD1 4.21Å; D188-Y220 HydrophobicContact CB-CD2 3.88Å; D188-Y220 HydrophobicContact CB-CE1 3.86Å; D188-Y220 HydrophobicContact CB-CE2 3.45Å; D188-Y220 VanDerWaalsContact CB-CE2 3.45Å; D188-Y220 HydrophobicContact CB-CG 4.24Å; D188-Y220 VanDerWaalsContact CB-CZ 3.44Å; D188-Y220 WeakPolarHBondContact O-CD1 3.32Å; D188-Y220 WeakPolarHBondContact O-CE1 3.38Å; M191-Y220 CarbonylContact C-O 3.6Å; M191-Y220 VanDerWaalsContact CA-O 3.24Å; M191-Y220 WeakPolarHBondContact CA-O 3.47Å; M191-Y220 HydrophobicContact CB-CD1 4.36Å; M191-Y220 HydrophobicContact CE-CD1 3.57Å; M191-Y220 HydrophobicContact CE-CE1 4.03Å; M191-Y220 HydrophobicContact CE-CG 4.3Å; M191-Y220 WeakPolarHBondContact CG-O 3.49Å; T192-Y220 PolarHBondContact N-O 3.04Å; A216-Y220 WeakPolarHBondContact O-CE2 3.2Å; G217-Y220 WeakPolarHBondContact O-CB 3.21Å; G217-Y220 PolarHBondContact O-N 2.89Å; K218-Y220 VanDerWaalsContact C-N 3.3Å; K218-Y220 VanDerWaalsContact O-CD2 3.28Å; K218-Y220 WeakPolarHBondContact O-CD2 3.23Å; Y220-Y250 AromaticContact CD1-CD2 3.92Å; Y220-Y250 HydrophobicContact CD1-CD2 3.92Å; Y220-Y250 AromaticContact CD1-CE2 3.57Å; Y220-Y250 HydrophobicContact CD1-CE2 3.57Å; Y220-Y250 AromaticContact CE1-CD2 3.64Å; Y220-Y250 HydrophobicContact CE1-CD2 3.64Å; Y220-Y250 AromaticContact CE1-CE2 3.43Å; Y220-Y250 HydrophobicContact CE1-CE2 3.43Å; Y220-Y250 VanDerWaalsContact CE1-CE2 3.43Å; Y220-L374 HydrophobicContact CD2-CD2 4.31Å; Y220-L374 HydrophobicContact CE1-CD2 4.15Å; Y220-L374 HydrophobicContact CE2-CD2 3.75Å; Y220-P378 HydrophobicContact CE1-CG 3.93Å; Y220-P378 WeakPolarHBondContact OH-CD 3.48Å
221A98.7Very high97.9Very high5 Ų536.5 Ų36.54%0.04119%0.186CC..EExtended strand (participates in β ladder)trans-104.3114.5163.800000109.4Q181 Y185 I212Q181-A221 HydrophobicContact CG-CB 4.12Å; Y185-A221 HydrophobicContact CE2-CB 4.42Å; I212-A221 WeakPolarHBondContact CA-O 3.34Å
222V98.8Very high97.9Very high11 Ų1136.2 Ų36.27%0.06719%0.185CC..EExtended strand (participates in β ladder)trans-111.7101.5-178.3-178.40000108.7M191 T192 V193 S194 V242 V367 L371M191-V222 HydrophobicContact CG-CG2 4.37Å; M191-V222 HydrophobicContact SD-CG2 4.28Å; T192-V222 WeakPolarHBondContact O-CB 3.38Å; T192-V222 PolarHBondContact O-N 3.26Å; V193-V222 VanDerWaalsContact CA-O 3.29Å; V193-V222 WeakPolarHBondContact CA-O 3.34Å; V193-V222 HydrophobicContact CB-CB 4.43Å; V193-V222 HydrophobicContact CG1-CB 4.26Å; V193-V222 HydrophobicContact CG1-CG1 4.12Å; V193-V222 HydrophobicContact CG2-CB 4.09Å; V193-V222 HydrophobicContact CG2-CG2 4.46Å; S194-V222 PolarHBondContact N-O 2.95Å; V222-V242 HydrophobicContact CG1-CG1 4.24Å; V222-V367 HydrophobicContact CG1-CB 4.5Å; V222-V367 HydrophobicContact CG1-CG1 3.58Å; V222-V367 HydrophobicContact CG1-CG2 4.11Å; V222-L371 HydrophobicContact CG2-CD2 4.25Å
223N98.9Very high97.9Very high6 Ų640.2 Ų40.23%0.03221%0.207CC..EExtended strand (participates in β ladder)trans-96.6130.6175.3-68.6-49.9000111H176 Q181 G207 D208 E211 P225H176-N223 PolarHBondContact CD2-OD1 2.83Å; H176-N223 PolarHBondContact NE2-OD1 3.07Å; Q181-N223 PolarHBondContact OE1-ND2 2.95Å; Q181-N223 PolarHBondContact OE1-OD1 2.85Å; Q181-N223 VanDerWaalsContact OE1-OD1 3.13Å; G207-N223 WeakPolarHBondContact O-CB 3.35Å; D208-N223 WeakPolarHBondContact O-CB 3.28Å; D208-N223 PolarHBondContact O-ND2 3.36Å; E211-N223 PolarHBondContact O-ND2 3.46Å; N223-P225 VanDerWaalsContact C-CD 3.41Å; N223-P225 WeakPolarHBondContact O-CD 3.49Å
224V98.8Very high97.9Very high1 Ų141.4 Ų41.41%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-113.782.3174.2-171.20000107.8S194 F195 H196 L226 V238 V242 L363 V367S194-V224 PolarHBondContact O-N 2.78Å; F195-V224 HydrophobicContact CD1-CB 3.64Å; F195-V224 HydrophobicContact CD1-CG1 3.71Å; F195-V224 HydrophobicContact CD1-CG2 3.83Å; F195-V224 HydrophobicContact CE1-CB 3.99Å; F195-V224 HydrophobicContact CE1-CG1 4.01Å; F195-V224 HydrophobicContact CE1-CG2 3.66Å; F195-V224 HydrophobicContact CG-CB 4.22Å; F195-V224 HydrophobicContact CG-CG2 4.45Å; F195-V224 HydrophobicContact CZ-CG2 4.17Å; H196-V224 PolarHBondContact N-O 2.82Å; V224-L226 HydrophobicContact CG1-CD2 4.01Å; V224-L226 HydrophobicContact CG1-CG 4.33Å; V224-L226 PolarHBondContact O-N 3.08Å; V224-L226 VanDerWaalsContact O-N 3.16Å; V224-V238 HydrophobicContact CG1-CG2 3.85Å; V224-V242 HydrophobicContact CG2-CG1 4.14Å; V224-V242 HydrophobicContact CG2-CG2 4.2Å; V224-L363 HydrophobicContact CG1-CD1 4.41Å; V224-V367 HydrophobicContact CG2-CG2 4.35Å
225P98.6Very high98Very high2 Ų239.8 Ų39.81%0.01320%0.197CC..EExtended strand (participates in β ladder)trans-72.7106.3-177.527.3-34.6000110.7Y198 M209 N223 Y359 L363Y198-P225 HydrophobicContact CD1-CB 3.85Å; Y198-P225 HydrophobicContact CG-CB 3.78Å; M209-P225 HydrophobicContact CB-CG 3.89Å; M209-P225 HydrophobicContact CG-CG 4.4Å; N223-P225 VanDerWaalsContact C-CD 3.41Å; N223-P225 WeakPolarHBondContact O-CD 3.49Å; P225-Y359 PolarHBondContact O-OH 2.97Å; P225-L363 HydrophobicContact CG-CD2 3.93Å; P225-L363 WeakPolarHBondContact O-CD1 3.42Å
226L98.7Very high98.1Very high0 Ų032.4 Ų32.40%017%0.165CC..EExtended strand (participates in β ladder)trans-97165.3179.1-58.4172000111.3F195 H196 R197 Y198 V224 I230 Y235 V238 F272 I360 L363F195-L226 HydrophobicContact CB-CD1 4.38Å; H196-L226 PolarHBondContact O-N 3.31Å; R197-L226 WeakPolarHBondContact CA-O 3.4Å; Y198-L226 PolarHBondContact N-O 2.64Å; V224-L226 HydrophobicContact CG1-CD2 4.01Å; V224-L226 HydrophobicContact CG1-CG 4.33Å; V224-L226 PolarHBondContact O-N 3.08Å; V224-L226 VanDerWaalsContact O-N 3.16Å; L226-I230 HydrophobicContact CD1-CD1 3.91Å; L226-I230 HydrophobicContact CD2-CD1 3.95Å; L226-I230 HydrophobicContact CG-CD1 4.39Å; L226-Y235 HydrophobicContact CD1-CD2 3.68Å; L226-Y235 HydrophobicContact CD1-CE2 3.65Å; L226-V238 HydrophobicContact CD2-CG1 4.3Å; L226-F272 HydrophobicContact CB-CE1 4.11Å; L226-F272 HydrophobicContact CB-CZ 3.72Å; L226-F272 HydrophobicContact CD1-CE2 4.11Å; L226-F272 HydrophobicContact CD1-CZ 3.95Å; L226-F272 HydrophobicContact CG-CZ 4.45Å; L226-I360 HydrophobicContact CD2-CD1 3.73Å; L226-L363 HydrophobicContact CD2-CD1 4.13Å
227K98.3Very high98.2Very high81 Ų8132.2 Ų32.235%0.35216%0.16SC..PPolyproline II helixtrans-102.3164.7173.2-58.2177.1180-178.50110.3F272 A354 N355 Y359K227-F272 WeakPolarHBondContact O-CE1 3.33Å; K227-A354 HydrophobicContact CB-CB 3.86Å; K227-A354 HydrophobicContact CD-CB 4.33Å; K227-A354 WeakPolarHBondContact CD-O 3.32Å; K227-N355 WeakPolarHBondContact CB-OD1 3.5Å; K227-N355 PolarHBondContact N-OD1 3.38Å; K227-N355 PolarHBondContact O-ND2 3.41Å; K227-Y359 HydrophobicContact CD-CD1 4.45Å; K227-Y359 HydrophobicContact CD-CE1 4.3Å; K227-Y359 HydrophobicContact CG-CE1 4.07Å
228E97.6Very high98.3Very high71 Ų7132.1 Ų32.133%0.33216%0.16SC..THydrogen-bonded Turntrans-57.1156.7175.760.3-142.9-154.900114R197 I230 V271 A354 N355R197-E228 IonicContact CZ-OE2 3.57Å; R197-E228 IonicContact NE-OE2 3.77Å; R197-E228 IonicContact NH2-OE2 2.78Å; R197-E228 PolarHBondContact NH2-OE2 3.3Å; R197-E228 VanDerWaalsContact NH2-OE2 3.14Å; E228-I230 VanDerWaalsContact C-N 3.3Å; E228-I230 PolarHBondContact O-N 2.7Å; E228-V271 CarbonylContact C-O 3.57Å; E228-V271 WeakPolarHBondContact CA-O 3.4Å; E228-V271 HydrophobicContact CB-CB 4Å; E228-V271 HydrophobicContact CB-CG2 3.81Å; E228-A354 HydrophobicContact CG-CB 4.14Å; E228-A354 WeakPolarHBondContact O-CB 3.34Å; E228-A354 PolarHBondContact O-N 3.05Å; E228-N355 PolarHBondContact O-ND2 3.24Å
229G97.8Very high98.4Very high0 Ų027.4 Ų27.40%014%0.139CC..THydrogen-bonded Turntrans74.6817500000115.7D231 V271 N273 N353G229-D231 PolarHBondContact O-N 3.25Å; G229-V271 PolarHBondContact N-O 3.18Å; G229-N273 WeakPolarHBondContact CA-ND2 3.41Å; G229-N273 PolarHBondContact O-ND2 2.84Å; G229-N353 WeakPolarHBondContact O-CA 3.31Å; G229-N353 WeakPolarHBondContact O-CB 3.38Å
230I98.4Very high98.4Very high0 Ų031.7 Ų31.70%016%0.155CC..  trans-58.3130.8179.1-159.4169.5000111.3L226 E228 M234 Y235 F272 N273 L274 N355 I360L226-I230 HydrophobicContact CD1-CD1 3.91Å; L226-I230 HydrophobicContact CD2-CD1 3.95Å; L226-I230 HydrophobicContact CG-CD1 4.39Å; E228-I230 VanDerWaalsContact C-N 3.3Å; E228-I230 PolarHBondContact O-N 2.7Å; I230-M234 HydrophobicContact CD1-CB 4.41Å; I230-M234 HydrophobicContact CD1-CG 4.19Å; I230-M234 HydrophobicContact CG1-CB 4.02Å; I230-M234 HydrophobicContact CG1-CG 4.18Å; I230-M234 HydrophobicContact CG1-SD 4.44Å; I230-Y235 HydrophobicContact CD1-CD2 4.18Å; I230-Y235 HydrophobicContact CG2-CD2 3.88Å; I230-F272 HydrophobicContact CG2-CB 4.08Å; I230-F272 HydrophobicContact CG2-CD1 3.67Å; I230-F272 HydrophobicContact CG2-CD2 3.79Å; I230-F272 HydrophobicContact CG2-CE1 3.99Å; I230-F272 HydrophobicContact CG2-CE2 4.14Å; I230-F272 HydrophobicContact CG2-CG 3.57Å; I230-F272 HydrophobicContact CG2-CZ 4.23Å; I230-N273 CarbonylContact O-C 3.55Å; I230-N273 WeakPolarHBondContact O-CA 3.41Å; I230-N273 WeakPolarHBondContact O-CB 3.36Å; I230-N273 PolarHBondContact O-N 3.04Å; I230-L274 HydrophobicContact CG2-CD2 4.48Å; I230-N355 WeakPolarHBondContact CB-ND2 3.22Å; I230-I360 HydrophobicContact CD1-CD1 4.22Å
231D97.5Very high98.4Very high61 Ų6131.4 Ų31.433%0.32616%0.157SC..BIsolated β-bridgetrans-93.5170179.859.552000112.8G229 D233 M234 Y235 N353G229-D231 PolarHBondContact O-N 3.25Å; D231-D233 VanDerWaalsContact C-N 3.35Å; D231-D233 PolarHBondContact O-N 3Å; D231-D233 PolarHBondContact OD1-N 2.9Å; D231-M234 PolarHBondContact O-N 2.85Å; D231-M234 VanDerWaalsContact OD1-CB 3.29Å; D231-M234 WeakPolarHBondContact OD1-CB 3.42Å; D231-M234 PolarHBondContact OD1-N 2.79Å; D231-Y235 WeakPolarHBondContact O-CB 3.47Å; D231-Y235 PolarHBondContact O-N 3.27Å; D231-N353 PolarHBondContact OD2-ND2 2.84Å
232D98.1Very high98.4Very high40 Ų4031.3 Ų31.321%0.21416%0.156CC..Hα-helixtrans-52.5-45.7-178-73.7-8.3000114F236 L274 S275 G278D232-F236 WeakPolarHBondContact O-CB 3.24Å; D232-F236 PolarHBondContact O-N 3.18Å; D232-L274 VanDerWaalsContact OD1-CA 3.28Å; D232-L274 WeakPolarHBondContact OD1-CA 3.33Å; D232-S275 PolarHBondContact OD1-N 3.27Å; D232-S275 VanDerWaalsContact OD2-CB 3.28Å; D232-S275 WeakPolarHBondContact OD2-CB 3.42Å; D232-S275 PolarHBondContact OD2-OG 3.1Å; D232-G278 VanDerWaalsContact CG-CA 3.49Å; D232-G278 WeakPolarHBondContact OD1-CA 3.39Å
233D98.1Very high98.4Very high115 Ų11530.8 Ų30.862%0.61515%0.153SC*.Hα-helixtrans-74.6-42.9-172.9-82.2-30.6000111.1D231 S237 R281D231-D233 VanDerWaalsContact C-N 3.35Å; D231-D233 PolarHBondContact O-N 3Å; D231-D233 PolarHBondContact OD1-N 2.9Å; D233-S237 VanDerWaalsContact O-CB 3.31Å; D233-S237 WeakPolarHBondContact O-CB 3.42Å; D233-S237 PolarHBondContact O-N 3.19Å; D233-R281 IonicContact OD1-NH1 3.44Å; D233-R281 PolarHBondContact OD1-NH1 3.22Å
234M98.4Very high98.4Very high33 Ų3333.9 Ų33.916%0.16317%0.169CC..Hα-helixtrans-68.2-45.3177.2-168.1172.9-64.900111.2I230 D231 S237 V238 N355 I360I230-M234 HydrophobicContact CD1-CB 4.41Å; I230-M234 HydrophobicContact CD1-CG 4.19Å; I230-M234 HydrophobicContact CG1-CB 4.02Å; I230-M234 HydrophobicContact CG1-CG 4.18Å; I230-M234 HydrophobicContact CG1-SD 4.44Å; D231-M234 PolarHBondContact O-N 2.85Å; D231-M234 VanDerWaalsContact OD1-CB 3.29Å; D231-M234 WeakPolarHBondContact OD1-CB 3.42Å; D231-M234 PolarHBondContact OD1-N 2.79Å; M234-S237 PolarHBondContact O-N 2.87Å; M234-S237 PolarHBondContact O-OG 3.4Å; M234-V238 PolarHBondContact O-N 3.18Å; M234-N355 WeakPolarHBondContact CE-O 3.42Å; M234-N355 HydrophobicContact SD-CB 3.51Å; M234-N355 VanDerWaalsContact SD-CB 3.51Å; M234-I360 HydrophobicContact CG-CD1 4.38Å; M234-I360 HydrophobicContact CG-CG1 3.85Å; M234-I360 HydrophobicContact SD-CD1 4.38Å; M234-I360 HydrophobicContact SD-CG1 3.68Å
235Y98.7Very high98.3Very high1 Ų135.9 Ų35.90%0.00418%0.18CC..Hα-helixtrans-59.3-49.9176.2-173-87.9000111.2I172 F195 L226 I230 D231 S237 V238 F239 F272 L274 C282I172-Y235 WeakPolarHBondContact CB-OH 3.08Å; I172-Y235 WeakPolarHBondContact CG2-OH 3.4Å; F195-Y235 HydrophobicContact CB-CE2 3.97Å; F195-Y235 VanDerWaalsContact CB-OH 3.28Å; F195-Y235 WeakPolarHBondContact CB-OH 3.28Å; L226-Y235 HydrophobicContact CD1-CD2 3.68Å; L226-Y235 HydrophobicContact CD1-CE2 3.65Å; I230-Y235 HydrophobicContact CD1-CD2 4.18Å; I230-Y235 HydrophobicContact CG2-CD2 3.88Å; D231-Y235 WeakPolarHBondContact O-CB 3.47Å; D231-Y235 PolarHBondContact O-N 3.27Å; Y235-S237 VanDerWaalsContact C-N 3.26Å; Y235-S237 PolarHBondContact O-N 3.03Å; Y235-V238 WeakPolarHBondContact O-CG1 3.25Å; Y235-V238 PolarHBondContact O-N 3.43Å; Y235-F239 HydrophobicContact CD1-CB 4.41Å; Y235-F239 HydrophobicContact CE1-CB 4.36Å; Y235-F239 HydrophobicContact CE1-CD2 4.3Å; Y235-F239 VanDerWaalsContact O-CB 3.24Å; Y235-F239 WeakPolarHBondContact O-CB 3.45Å; Y235-F239 PolarHBondContact O-N 3.22Å; Y235-F272 HydrophobicContact CD2-CE2 4.46Å; Y235-F272 HydrophobicContact CE2-CD2 4.32Å; Y235-F272 HydrophobicContact CE2-CE2 4.02Å; Y235-L274 HydrophobicContact CD1-CD1 3.89Å; Y235-L274 HydrophobicContact CD1-CD2 4.27Å; Y235-L274 HydrophobicContact CD2-CD1 4.05Å; Y235-L274 HydrophobicContact CD2-CD2 4.17Å; Y235-L274 HydrophobicContact CE1-CD1 3.96Å; Y235-L274 HydrophobicContact CE2-CD1 4.12Å; Y235-L274 HydrophobicContact CG-CD1 3.94Å; Y235-L274 HydrophobicContact CG-CD2 3.76Å; Y235-L274 HydrophobicContact CG-CG 4.48Å; Y235-C282 VanDerWaalsContact CE1-SG 3.57Å
236F98.7Very high98.3Very high21 Ų2135.8 Ų35.89%0.09218%0.18CC..Hα-helixtrans-65.3-30.8179.6-171.7-104.7000112.6D232 F239 R240 R281 M285D232-F236 WeakPolarHBondContact O-CB 3.24Å; D232-F236 PolarHBondContact O-N 3.18Å; F236-F239 HydrophobicContact CD2-CD1 4.32Å; F236-F239 HydrophobicContact CE2-CD1 4.34Å; F236-R240 HydrophobicContact CE1-CB 4.23Å; F236-R240 HydrophobicContact CZ-CB 4.31Å; F236-R240 WeakPolarHBondContact O-CB 3.46Å; F236-R240 PolarHBondContact O-N 2.89Å; F236-R281 HydrophobicContact CD1-CG 4.33Å; F236-R281 HydrophobicContact CD2-CB 4.15Å; F236-R281 HydrophobicContact CD2-CG 3.65Å; F236-R281 HydrophobicContact CE1-CG 4.22Å; F236-R281 HydrophobicContact CE2-CB 4.29Å; F236-R281 HydrophobicContact CE2-CG 3.56Å; F236-R281 WeakPolarHBondContact CE2-O 3.24Å; F236-R281 VanDerWaalsContact CG-CD 3.47Å; F236-R281 HydrophobicContact CG-CG 4.04Å; F236-R281 HydrophobicContact CZ-CG 3.84Å; F236-M285 HydrophobicContact CE2-CB 4.03Å; F236-M285 HydrophobicContact CE2-SD 4.14Å; F236-M285 HydrophobicContact CZ-CB 4.26Å; F236-M285 HydrophobicContact CZ-SD 4.19Å
237S98.3Very high98.3Very high54 Ų5437.4 Ų37.438%0.37819%0.189SC..Hα-helixtrans-63.6-44.3177780000112.6D233 M234 Y235 A241D233-S237 VanDerWaalsContact O-CB 3.31Å; D233-S237 WeakPolarHBondContact O-CB 3.42Å; D233-S237 PolarHBondContact O-N 3.19Å; M234-S237 PolarHBondContact O-N 2.87Å; M234-S237 PolarHBondContact O-OG 3.4Å; Y235-S237 VanDerWaalsContact C-N 3.26Å; Y235-S237 PolarHBondContact O-N 3.03Å; S237-A241 PolarHBondContact O-N 3.42Å
238V98.6Very high98.2Very high0 Ų036.4 Ų36.40%020%0.196CC..Hα-helixtrans-74-44.5177.160.80000111.1V224 L226 M234 Y235 R240 A241 V242 I360 R364V224-V238 HydrophobicContact CG1-CG2 3.85Å; L226-V238 HydrophobicContact CD2-CG1 4.3Å; M234-V238 PolarHBondContact O-N 3.18Å; Y235-V238 WeakPolarHBondContact O-CG1 3.25Å; Y235-V238 PolarHBondContact O-N 3.43Å; V238-R240 VanDerWaalsContact C-N 3.33Å; V238-R240 PolarHBondContact O-N 3.29Å; V238-A241 PolarHBondContact O-N 3.06Å; V238-V242 HydrophobicContact CG2-CG2 4.11Å; V238-V242 WeakPolarHBondContact O-CB 3.39Å; V238-V242 WeakPolarHBondContact O-CG2 3.21Å; V238-V242 PolarHBondContact O-N 3.18Å; V238-I360 HydrophobicContact CB-CG2 3.89Å; V238-I360 HydrophobicContact CG2-CG2 4.36Å; V238-R364 HydrophobicContact CB-CG 4.46Å; V238-R364 HydrophobicContact CG2-CG 3.89Å
239F98.9Very high98.2Very high0 Ų036 Ų360%019%0.194CC..Hα-helixtrans-53-51.9176.1-178.4-93.1000111.1I170 I172 F195 Y235 F236 A241 V242 I243 C282 M285 V286I170-F239 HydrophobicContact CG2-CE2 3.87Å; I170-F239 HydrophobicContact CG2-CZ 4.22Å; I172-F239 HydrophobicContact CG2-CD2 4.04Å; I172-F239 HydrophobicContact CG2-CE2 3.49Å; I172-F239 VanDerWaalsContact CG2-CE2 3.49Å; I172-F239 HydrophobicContact CG2-CZ 4.36Å; F195-F239 HydrophobicContact CD1-CD2 4.4Å; F195-F239 AromaticContact CD2-CD2 3.81Å; F195-F239 HydrophobicContact CD2-CD2 3.81Å; F195-F239 HydrophobicContact CD2-CE2 4.14Å; F195-F239 HydrophobicContact CE1-CB 4.22Å; F195-F239 HydrophobicContact CE1-CD2 4.16Å; F195-F239 AromaticContact CE2-CD2 3.51Å; F195-F239 HydrophobicContact CE2-CD2 3.51Å; F195-F239 AromaticContact CE2-CE2 3.81Å; F195-F239 HydrophobicContact CE2-CE2 3.81Å; F195-F239 HydrophobicContact CG-CD2 4.24Å; F195-F239 HydrophobicContact CZ-CB 4.39Å; F195-F239 AromaticContact CZ-CD2 3.7Å; F195-F239 HydrophobicContact CZ-CD2 3.7Å; F195-F239 HydrophobicContact CZ-CE2 4.36Å; F195-F239 HydrophobicContact CZ-CG 4.34Å; Y235-F239 HydrophobicContact CD1-CB 4.41Å; Y235-F239 HydrophobicContact CE1-CB 4.36Å; Y235-F239 HydrophobicContact CE1-CD2 4.3Å; Y235-F239 VanDerWaalsContact O-CB 3.24Å; Y235-F239 WeakPolarHBondContact O-CB 3.45Å; Y235-F239 PolarHBondContact O-N 3.22Å; F236-F239 HydrophobicContact CD2-CD1 4.32Å; F236-F239 HydrophobicContact CE2-CD1 4.34Å; F239-A241 PolarHBondContact O-N 3.02Å; F239-V242 PolarHBondContact O-N 3.35Å; F239-I243 HydrophobicContact CD1-CG1 4.28Å; F239-I243 HydrophobicContact CD2-CG1 4.18Å; F239-I243 HydrophobicContact CE1-CG1 3.99Å; F239-I243 HydrophobicContact CE2-CD1 4.42Å; F239-I243 HydrophobicContact CE2-CG1 3.88Å; F239-I243 HydrophobicContact CG-CG1 4.37Å; F239-I243 HydrophobicContact CZ-CG1 3.79Å; F239-I243 WeakPolarHBondContact O-CB 3.42Å; F239-I243 VanDerWaalsContact O-CG1 3.32Å; F239-I243 WeakPolarHBondContact O-CG1 3.29Å; F239-I243 PolarHBondContact O-N 3.05Å; F239-C282 HydrophobicContact CD1-CB 4.03Å; F239-C282 HydrophobicContact CD2-CB 4.4Å; F239-C282 HydrophobicContact CE1-CB 3.67Å; F239-C282 HydrophobicContact CE2-CB 4.09Å; F239-C282 HydrophobicContact CG-CB 4.38Å; F239-C282 HydrophobicContact CZ-CB 3.7Å; F239-M285 HydrophobicContact CD1-SD 3.9Å; F239-M285 HydrophobicContact CE1-CB 4.37Å; F239-M285 HydrophobicContact CE1-SD 3.91Å; F239-V286 HydrophobicContact CE1-CG2 4.14Å; F239-V286 HydrophobicContact CZ-CG2 3.7Å
240R98.6Very high98.2Very high142 Ų14236.1 Ų36.154%0.53619%0.194SC..Hα-helixtrans-62.3-42.7-178.5-179.7176.8-175.9-167.12.5112.9F236 V238 N244 M285F236-R240 HydrophobicContact CE1-CB 4.23Å; F236-R240 HydrophobicContact CZ-CB 4.31Å; F236-R240 WeakPolarHBondContact O-CB 3.46Å; F236-R240 PolarHBondContact O-N 2.89Å; V238-R240 VanDerWaalsContact C-N 3.33Å; V238-R240 PolarHBondContact O-N 3.29Å; R240-N244 WeakPolarHBondContact O-CB 3.35Å; R240-N244 PolarHBondContact O-N 2.95Å; R240-N244 PolarHBondContact O-ND2 3.23Å; R240-M285 VanDerWaalsContact CA-SD 3.51Å; R240-M285 HydrophobicContact CB-CE 4.21Å; R240-M285 HydrophobicContact CB-SD 3.71Å; R240-M285 HydrophobicContact CG-CE 3.88Å; R240-M285 HydrophobicContact CG-SD 3.72Å; R240-M285 WeakPolarHBondContact O-CE 3.44Å
241A98.3Very high98.2Very high16 Ų1643.8 Ų43.813%0.13222%0.223CC..Hα-helixtrans-65.3-50.3179.700000111.3S237 V238 F239 N244 D245 R364S237-A241 PolarHBondContact O-N 3.42Å; V238-A241 PolarHBondContact O-N 3.06Å; F239-A241 PolarHBondContact O-N 3.02Å; A241-N244 PolarHBondContact O-N 2.75Å; A241-D245 PolarHBondContact O-N 2.83Å; A241-D245 VanDerWaalsContact O-N 3.15Å; A241-R364 HydrophobicContact CB-CG 4.39Å
242V98.8Very high98.2Very high2 Ų241.2 Ų41.21%0.01221%0.21CC..Hα-helixtrans-62.6-49-178.1168.70000111.1V193 F195 V222 V224 V238 F239 N244 D245 V246 V367V193-V242 HydrophobicContact CG1-CG1 3.87Å; F195-V242 HydrophobicContact CE1-CB 4Å; F195-V242 HydrophobicContact CE1-CG1 4.18Å; F195-V242 HydrophobicContact CE1-CG2 4.27Å; F195-V242 HydrophobicContact CZ-CB 3.78Å; F195-V242 HydrophobicContact CZ-CG1 3.66Å; V222-V242 HydrophobicContact CG1-CG1 4.24Å; V224-V242 HydrophobicContact CG2-CG1 4.14Å; V224-V242 HydrophobicContact CG2-CG2 4.2Å; V238-V242 HydrophobicContact CG2-CG2 4.11Å; V238-V242 WeakPolarHBondContact O-CB 3.39Å; V238-V242 WeakPolarHBondContact O-CG2 3.21Å; V238-V242 PolarHBondContact O-N 3.18Å; F239-V242 PolarHBondContact O-N 3.35Å; V242-N244 VanDerWaalsContact C-N 3.35Å; V242-N244 PolarHBondContact O-N 3.48Å; V242-D245 PolarHBondContact O-N 3.45Å; V242-V246 HydrophobicContact CG1-CG2 4.13Å; V242-V246 WeakPolarHBondContact O-CB 3.41Å; V242-V246 VanDerWaalsContact O-CG2 3.25Å; V242-V246 WeakPolarHBondContact O-CG2 3.45Å; V242-V246 PolarHBondContact O-N 3.39Å; V242-V367 HydrophobicContact CG1-CG1 4Å; V242-V367 HydrophobicContact CG2-CB 4.41Å; V242-V367 HydrophobicContact CG2-CG1 4.1Å
243I98.8Very high98.2Very high0 Ų041.2 Ų41.20%021%0.211CC..Hα-helixtrans-64.4-38.3-178.4-65.9-54.1000112I170 V193 F195 F239 V246 V247 M285 L289I170-I243 HydrophobicContact CD1-CD1 3.75Å; I170-I243 HydrophobicContact CD1-CG1 4.47Å; I170-I243 HydrophobicContact CD1-CG2 4.38Å; I170-I243 HydrophobicContact CG1-CD1 3.93Å; I170-I243 HydrophobicContact CG2-CD1 4Å; V193-I243 HydrophobicContact CB-CD1 4.42Å; V193-I243 HydrophobicContact CG1-CD1 4.04Å; F195-I243 HydrophobicContact CE2-CD1 3.94Å; F195-I243 HydrophobicContact CE2-CG1 4.25Å; F195-I243 HydrophobicContact CZ-CD1 4.16Å; F195-I243 HydrophobicContact CZ-CG1 4.17Å; F239-I243 HydrophobicContact CD1-CG1 4.28Å; F239-I243 HydrophobicContact CD2-CG1 4.18Å; F239-I243 HydrophobicContact CE1-CG1 3.99Å; F239-I243 HydrophobicContact CE2-CD1 4.42Å; F239-I243 HydrophobicContact CE2-CG1 3.88Å; F239-I243 HydrophobicContact CG-CG1 4.37Å; F239-I243 HydrophobicContact CZ-CG1 3.79Å; F239-I243 WeakPolarHBondContact O-CB 3.42Å; F239-I243 VanDerWaalsContact O-CG1 3.32Å; F239-I243 WeakPolarHBondContact O-CG1 3.29Å; F239-I243 PolarHBondContact O-N 3.05Å; I243-V246 PolarHBondContact O-N 3.38Å; I243-V247 HydrophobicContact CG2-CG2 4.24Å; I243-V247 WeakPolarHBondContact O-CB 3.36Å; I243-V247 VanDerWaalsContact O-CG2 3.24Å; I243-V247 WeakPolarHBondContact O-CG2 3.21Å; I243-V247 PolarHBondContact O-N 3.07Å; I243-M285 HydrophobicContact CB-CE 3.83Å; I243-M285 HydrophobicContact CG2-CE 3.8Å; I243-L289 HydrophobicContact CG2-CD1 4.12Å
244N98.4Very high98.3Very high71 Ų7135.8 Ų35.838%0.3818%0.182SC..Hα-helixtrans-62.6-44.6175.8-78.2-31.7000112R240 A241 V242 V247 A248 M285R240-N244 WeakPolarHBondContact O-CB 3.35Å; R240-N244 PolarHBondContact O-N 2.95Å; R240-N244 PolarHBondContact O-ND2 3.23Å; A241-N244 PolarHBondContact O-N 2.75Å; V242-N244 VanDerWaalsContact C-N 3.35Å; V242-N244 PolarHBondContact O-N 3.48Å; N244-V247 PolarHBondContact O-N 3.42Å; N244-A248 VanDerWaalsContact O-CB 3.32Å; N244-A248 WeakPolarHBondContact O-CB 3.34Å; N244-A248 PolarHBondContact O-N 3.23Å; N244-M285 WeakPolarHBondContact OD1-CE 3.24Å
245D97.7Very high98.3Very high44 Ų4434.3 Ų34.324%0.23518%0.175CC..Hα-helixtrans-64.8-48.6177.9-74.9-9.2000110.7A241 V242 V247 A248 F249 H368 L371A241-D245 PolarHBondContact O-N 2.83Å; A241-D245 VanDerWaalsContact O-N 3.15Å; V242-D245 PolarHBondContact O-N 3.45Å; D245-V247 VanDerWaalsContact C-N 3.32Å; D245-V247 PolarHBondContact O-N 3.41Å; D245-A248 PolarHBondContact O-N 2.96Å; D245-A248 VanDerWaalsContact O-N 3.09Å; D245-F249 HydrophobicContact CB-CD2 4.42Å; D245-F249 VanDerWaalsContact O-CD2 3.23Å; D245-F249 WeakPolarHBondContact O-CD2 3.37Å; D245-F249 PolarHBondContact O-N 3.16Å; D245-H368 IonicContact OD1-ND1 3.98Å; D245-H368 IonicContact OD2-CE1 2.61Å; D245-H368 IonicContact OD2-CG 3.69Å; D245-H368 IonicContact OD2-ND1 3.47Å; D245-H368 PolarHBondContact OD2-ND1 3.36Å; D245-L371 HydrophobicContact CB-CD1 3.67Å
246V98.6Very high98.3Very high0 Ų034.2 Ų34.20%017%0.174CC..Hα-helixtrans-51.2-51.8175.5161.30000110.7L168 M191 V193 V242 I243 A248 F249 Y250 L371L168-V246 HydrophobicContact CD1-CG1 3.54Å; L168-V246 HydrophobicContact CD2-CG1 3.74Å; L168-V246 HydrophobicContact CG-CG1 4.31Å; M191-V246 HydrophobicContact SD-CB 4.45Å; M191-V246 HydrophobicContact SD-CG1 3.73Å; M191-V246 HydrophobicContact SD-CG2 4.28Å; V193-V246 HydrophobicContact CG2-CG1 3.98Å; V193-V246 HydrophobicContact CG2-CG2 3.85Å; V242-V246 HydrophobicContact CG1-CG2 4.13Å; V242-V246 WeakPolarHBondContact O-CB 3.41Å; V242-V246 VanDerWaalsContact O-CG2 3.25Å; V242-V246 WeakPolarHBondContact O-CG2 3.45Å; V242-V246 PolarHBondContact O-N 3.39Å; I243-V246 PolarHBondContact O-N 3.38Å; V246-A248 VanDerWaalsContact C-N 3.33Å; V246-A248 PolarHBondContact O-N 3.47Å; V246-F249 PolarHBondContact O-N 3.28Å; V246-Y250 WeakPolarHBondContact O-CA 3.32Å; V246-Y250 WeakPolarHBondContact O-CB 3.28Å; V246-Y250 PolarHBondContact O-N 3.3Å; V246-L371 HydrophobicContact CG2-CD1 3.93Å; V246-L371 HydrophobicContact CG2-CD2 4.28Å
247V98.3Very high98.3Very high33 Ų3333.2 Ų33.220%0.217%0.17CC..Hα-helixtrans-64.5-38.3-179.4171.60000111.4L168 I243 N244 D245 R251 L289L168-V247 HydrophobicContact CD2-CG2 4.11Å; I243-V247 HydrophobicContact CG2-CG2 4.24Å; I243-V247 WeakPolarHBondContact O-CB 3.36Å; I243-V247 VanDerWaalsContact O-CG2 3.24Å; I243-V247 WeakPolarHBondContact O-CG2 3.21Å; I243-V247 PolarHBondContact O-N 3.07Å; N244-V247 PolarHBondContact O-N 3.42Å; D245-V247 VanDerWaalsContact C-N 3.32Å; D245-V247 PolarHBondContact O-N 3.41Å; V247-R251 VanDerWaalsContact O-CA 3.27Å; V247-R251 WeakPolarHBondContact O-CA 3.34Å; V247-R251 PolarHBondContact O-N 3.2Å; V247-L289 HydrophobicContact CG1-CD2 4.38Å; V247-L289 HydrophobicContact CG2-CD1 3.75Å; V247-L289 HydrophobicContact CG2-CD2 4.16Å
248A96.5Very high98.3Very high61 Ų6130.7 Ų30.750%0.50415%0.152SC..Hα-helixtrans-65.8-44.3179.600000112.9N244 D245 V246N244-A248 VanDerWaalsContact O-CB 3.32Å; N244-A248 WeakPolarHBondContact O-CB 3.34Å; N244-A248 PolarHBondContact O-N 3.23Å; D245-A248 PolarHBondContact O-N 2.96Å; D245-A248 VanDerWaalsContact O-N 3.09Å; V246-A248 VanDerWaalsContact C-N 3.33Å; V246-A248 PolarHBondContact O-N 3.47Å
249F97.3Very high98.4Very high63 Ų6330.7 Ų30.728%0.27615%0.152SC..Hα-helixtrans-79.8-49.1-179.9-75-77.6000112D245 V246 L371 K372 L374D245-F249 HydrophobicContact CB-CD2 4.42Å; D245-F249 VanDerWaalsContact O-CD2 3.23Å; D245-F249 WeakPolarHBondContact O-CD2 3.37Å; D245-F249 PolarHBondContact O-N 3.16Å; V246-F249 PolarHBondContact O-N 3.28Å; F249-L371 HydrophobicContact CD2-CB 3.75Å; F249-L371 HydrophobicContact CD2-CD1 4.37Å; F249-L371 HydrophobicContact CE2-CB 4.16Å; F249-L371 HydrophobicContact CG-CB 4.14Å; F249-K372 HydrophobicContact CZ-CG 4.1Å; F249-L374 HydrophobicContact CB-CD1 4.24Å
250Y98Very high98.4Very high1 Ų130.7 Ų30.70%0.00415%0.152CC..Hα-helixtrans-81.9-32.2-172.6-171.3-125.7000113.7R166 L168 D188 R189 V190 M191 Y220 V246 P252 P378R166-Y250 HydrophobicContact CB-CE1 3.82Å; R166-Y250 HydrophobicContact CB-CE2 4.26Å; R166-Y250 WeakPolarHBondContact CD-O 3.37Å; R166-Y250 HydrophobicContact CG-CE1 4.46Å; R166-Y250 HydrophobicContact CG-CE2 4Å; R166-Y250 PolarHBondContact NE-O 3Å; L168-Y250 HydrophobicContact CB-CD1 4.38Å; L168-Y250 HydrophobicContact CB-CE1 4.44Å; D188-Y250 VanDerWaalsContact O-CE2 3.24Å; D188-Y250 WeakPolarHBondContact O-CE2 3.42Å; D188-Y250 PolarHBondContact O-OH 3.27Å; R189-Y250 PolarHBondContact O-OH 2.85Å; V190-Y250 WeakPolarHBondContact CA-OH 3.31Å; V190-Y250 PolarHBondContact N-OH 3.13Å; M191-Y250 HydrophobicContact CB-CD1 3.61Å; M191-Y250 HydrophobicContact CB-CD2 4.19Å; M191-Y250 HydrophobicContact CB-CE1 3.47Å; M191-Y250 VanDerWaalsContact CB-CE1 3.47Å; M191-Y250 HydrophobicContact CB-CE2 4.08Å; M191-Y250 HydrophobicContact CB-CG 3.97Å; M191-Y250 HydrophobicContact CE-CD1 4.48Å; M191-Y250 HydrophobicContact CE-CD2 3.58Å; M191-Y250 HydrophobicContact CE-CE2 4.32Å; M191-Y250 HydrophobicContact CE-CG 3.68Å; M191-Y250 HydrophobicContact CG-CD1 4.47Å; M191-Y250 PolarHBondContact N-OH 3.4Å; M191-Y250 HydrophobicContact SD-CD1 4.16Å; M191-Y250 HydrophobicContact SD-CD2 4.31Å; M191-Y250 HydrophobicContact SD-CG 3.82Å; Y220-Y250 AromaticContact CD1-CD2 3.92Å; Y220-Y250 HydrophobicContact CD1-CD2 3.92Å; Y220-Y250 AromaticContact CD1-CE2 3.57Å; Y220-Y250 HydrophobicContact CD1-CE2 3.57Å; Y220-Y250 AromaticContact CE1-CD2 3.64Å; Y220-Y250 HydrophobicContact CE1-CD2 3.64Å; Y220-Y250 AromaticContact CE1-CE2 3.43Å; Y220-Y250 HydrophobicContact CE1-CE2 3.43Å; Y220-Y250 VanDerWaalsContact CE1-CE2 3.43Å; V246-Y250 WeakPolarHBondContact O-CA 3.32Å; V246-Y250 WeakPolarHBondContact O-CB 3.28Å; V246-Y250 PolarHBondContact O-N 3.3Å; Y250-P252 HydrophobicContact CD1-CB 4.03Å; Y250-P252 HydrophobicContact CD1-CG 4.42Å; Y250-P252 HydrophobicContact CE1-CB 4.22Å; Y250-P378 HydrophobicContact CE2-CG 3.97Å
251R97.5Very high98.4Very high162 Ų16224 Ų2461%0.61113%0.127SC*.  trans51.558.1179.7-54177.5-176.3176.4-0.2112.6R166 V247 A377R166-R251 PolarHBondContact NE-O 3.29Å; R166-R251 PolarHBondContact NH2-O 3.03Å; V247-R251 VanDerWaalsContact O-CA 3.27Å; V247-R251 WeakPolarHBondContact O-CA 3.34Å; V247-R251 PolarHBondContact O-N 3.2Å; R251-A377 HydrophobicContact CB-CB 4.4Å
252P98.3Very high98.4Very high7 Ų723.2 Ų23.25%0.04512%0.121CC..  trans-60.6155.9-179.928.2-35.7000112L168 Y250 L291L168-P252 HydrophobicContact CB-CB 3.5Å; L168-P252 HydrophobicContact CB-CG 3.7Å; L168-P252 HydrophobicContact CD2-CG 3.86Å; L168-P252 HydrophobicContact CG-CG 4.43Å; Y250-P252 HydrophobicContact CD1-CB 4.03Å; Y250-P252 HydrophobicContact CD1-CG 4.42Å; Y250-P252 HydrophobicContact CE1-CB 4.22Å; P252-L291 HydrophobicContact CB-CD1 4.38Å; P252-L291 HydrophobicContact CG-CD1 3.81Å; P252-L291 WeakPolarHBondContact O-CD1 3.31Å
253T98.2Very high98.3Very high40 Ų4023.1 Ų23.125%0.24512%0.12CC..SBendtrans-102.3-13.7173.759.10000112.8N164 P165 R166 P292N164-T253 VanDerWaalsContact CB-OG1 3.25Å; N164-T253 WeakPolarHBondContact CB-OG1 3.15Å; N164-T253 PolarHBondContact OD1-OG1 2.95Å; P165-T253 WeakPolarHBondContact CD-OG1 3.21Å; P165-T253 HydrophobicContact CG-CG2 3.8Å; R166-T253 PolarHBondContact O-N 2.84Å; R166-T253 PolarHBondContact O-OG1 2.98Å; T253-P292 WeakPolarHBondContact O-CD 3.44Å
254T98.8Very high98.3Very high0 Ų023.2 Ų23.20%012%0.121CC..EExtended strand (participates in β ladder)trans-152.9157.8171.9-173.50000109.6L160 N164 V167 L168 P292L160-T254 HydrophobicContact CB-CG2 4.19Å; L160-T254 HydrophobicContact CD1-CG2 4.13Å; L160-T254 HydrophobicContact CD2-CG2 4.24Å; L160-T254 HydrophobicContact CG-CG2 4.42Å; N164-T254 HydrophobicContact CB-CG2 3.8Å; N164-T254 VanDerWaalsContact CG-CG2 3.41Å; V167-T254 HydrophobicContact CB-CG2 4.24Å; V167-T254 HydrophobicContact CG1-CG2 4.1Å; V167-T254 HydrophobicContact CG2-CG2 3.73Å; L168-T254 PolarHBondContact N-O 2.57Å; T254-P292 WeakPolarHBondContact CA-O 3.25Å; T254-P292 PolarHBondContact OG1-O 2.84Å
255I98.9Very high98.3Very high2 Ų219.8 Ų19.81%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-123.9138.3-179.8-60.1177.4000109.6L168 I170 V286 L289 L291 P292 L293 L294L168-I255 HydrophobicContact CB-CG1 4.25Å; L168-I255 HydrophobicContact CD2-CD1 4.31Å; L168-I255 HydrophobicContact CD2-CG1 4.3Å; L168-I255 CarbonylContact O-C 3.59Å; L168-I255 VanDerWaalsContact O-CA 3.24Å; L168-I255 WeakPolarHBondContact O-CA 3.42Å; I170-I255 HydrophobicContact CD1-CG2 3.87Å; I170-I255 HydrophobicContact CG1-CG2 4.19Å; I255-V286 HydrophobicContact CD1-CG1 4.01Å; I255-V286 HydrophobicContact CG2-CG1 3.9Å; I255-L289 HydrophobicContact CD1-CB 4.43Å; I255-L289 HydrophobicContact CD1-CD1 3.48Å; I255-L289 VanDerWaalsContact CD1-CD1 3.48Å; I255-L291 HydrophobicContact CD1-CB 4.41Å; I255-L291 HydrophobicContact CD1-CD1 3.98Å; I255-L291 HydrophobicContact CG1-CB 4.41Å; I255-L291 HydrophobicContact CG1-CD1 4.06Å; I255-P292 PolarHBondContact N-O 3.03Å; I255-L293 HydrophobicContact CB-CD1 3.8Å; I255-L293 HydrophobicContact CG2-CD1 3.71Å; I255-L293 WeakPolarHBondContact O-CA 3.16Å; I255-L294 PolarHBondContact O-N 2.97Å
256V99Very high98.2Very high0 Ų020.8 Ų20.80%011%0.112CC..EExtended strand (participates in β ladder)trans-107.1120.1160.6-175.80000107.5I153 L160 V167 L168 Y169 I170 L294I153-V256 HydrophobicContact CG2-CG1 4.19Å; L160-V256 HydrophobicContact CD1-CG2 3.46Å; L160-V256 VanDerWaalsContact CD1-CG2 3.46Å; V167-V256 HydrophobicContact CG1-CG2 4.03Å; L168-V256 PolarHBondContact O-N 3.01Å; Y169-V256 CarbonylContact C-O 3.58Å; Y169-V256 WeakPolarHBondContact CA-O 3.24Å; Y169-V256 HydrophobicContact CD2-CB 4.11Å; Y169-V256 HydrophobicContact CD2-CG1 4.08Å; Y169-V256 HydrophobicContact CE2-CG1 4.44Å; I170-V256 PolarHBondContact N-O 3.31Å; V256-L294 CarbonylContact C-O 3.58Å; V256-L294 WeakPolarHBondContact CA-O 3.17Å; V256-L294 HydrophobicContact CG1-CB 4.44Å; V256-L294 HydrophobicContact CG1-CD2 4.14Å; V256-L294 HydrophobicContact CG1-CG 4.2Å; V256-L294 HydrophobicContact CG2-CB 4.25Å; V256-L294 HydrophobicContact CG2-CD2 4.18Å
257L99Very high98.2Very high0 Ų021.7 Ų21.70%012%0.117CC..EExtended strand (participates in β ladder)trans-110.7111.3178.4178.464.3000108.9I170 V283 V286 L293 L294 V295 V296I170-L257 HydrophobicContact CB-CD1 3.78Å; I170-L257 HydrophobicContact CG2-CD1 3.71Å; I170-L257 WeakPolarHBondContact O-CA 3.36Å; L257-V283 HydrophobicContact CD2-CB 4.34Å; L257-V283 HydrophobicContact CD2-CG1 4.24Å; L257-V283 HydrophobicContact CD2-CG2 4.07Å; L257-V286 HydrophobicContact CD1-CG2 4.29Å; L257-V286 HydrophobicContact CD2-CB 4.11Å; L257-V286 HydrophobicContact CD2-CG1 4.11Å; L257-V286 HydrophobicContact CD2-CG2 4.37Å; L257-L293 HydrophobicContact CB-CD1 3.9Å; L257-L294 PolarHBondContact N-O 3.13Å; L257-V295 WeakPolarHBondContact O-CA 3.42Å; L257-V296 PolarHBondContact O-N 2.91Å
258Q98.9Very high98.1Very high0 Ų026.9 Ų26.90%013%0.133CC..EExtended strand (participates in β ladder)trans-84.6126170.3-170.4-77.97.500107.9I153 Y169 I170 D171 I172 D173 V296 G297I153-Q258 HydrophobicContact CD1-CB 4.35Å; I153-Q258 HydrophobicContact CD1-CG 3.95Å; Y169-Q258 HydrophobicContact CE2-CB 3.8Å; Y169-Q258 WeakPolarHBondContact OH-CB 3.47Å; I170-Q258 PolarHBondContact O-N 3.2Å; D171-Q258 HydrophobicContact CB-CB 4.5Å; D171-Q258 PolarHBondContact OD1-OE1 2.67Å; I172-Q258 VanDerWaalsContact CG1-O 3.24Å; I172-Q258 WeakPolarHBondContact CG1-O 3.48Å; I172-Q258 PolarHBondContact N-O 3.4Å; D173-Q258 PolarHBondContact OD2-NE2 2.89Å; Q258-V296 HydrophobicContact CB-CG2 3.96Å; Q258-V296 HydrophobicContact CG-CG2 4.12Å; Q258-G297 WeakPolarHBondContact CG-O 3.45Å
259C98.9Very high98.1Very high0 Ų027 Ų270%013%0.125CC..  trans-115.852-174.7-69.80000111.5W132 A261 V296 G297 W310W132-C259 HydrophobicContact CZ3-CB 3.9Å; C259-A261 PolarHBondContact O-N 3.17Å; C259-V296 WeakPolarHBondContact CB-O 3.33Å; C259-V296 PolarHBondContact N-O 2.78Å; C259-G297 CarbonylContact C-O 3.21Å; C259-G297 PolarHBondContact N-O 2.9Å; C259-W310 PolarHBondContact O-NE1 3.15Å
260G98.8Very high98.1Very high0 Ų024.5 Ų24.50%012%0.117CC..  trans-53.2119.7171.700000111.6D173 D262 S263 H279D173-G260 WeakPolarHBondContact OD2-CA 3.34Å; G260-D262 VanDerWaalsContact C-N 3.31Å; G260-D262 PolarHBondContact O-N 3.29Å; G260-S263 PolarHBondContact O-OG 2.9Å; G260-H279 PolarHBondContact O-NE2 2.89Å; G260-H279 VanDerWaalsContact O-NE2 3.07Å
261A98.7Very high98.1Very high1 Ų126.2 Ų26.21%0.00813%0.127CC..G310 helixtrans-91.410.3-173.700000113C259 S263 L264 G299 V306 C309C259-A261 PolarHBondContact O-N 3.17Å; A261-S263 VanDerWaalsContact C-N 3.31Å; A261-L264 HydrophobicContact CB-CD1 4.07Å; A261-L264 WeakPolarHBondContact O-CB 3.3Å; A261-L264 WeakPolarHBondContact O-CD1 3.28Å; A261-L264 WeakPolarHBondContact O-CG 3.29Å; A261-L264 PolarHBondContact O-N 3.18Å; A261-G299 PolarHBondContact N-O 3.19Å; A261-V306 HydrophobicContact CB-CB 4.36Å; A261-V306 HydrophobicContact CB-CG1 4.19Å; A261-V306 HydrophobicContact CB-CG2 4.12Å; A261-C309 HydrophobicContact CB-CB 4.3Å
262D98.6Very high98.1Very high0 Ų018.6 Ų18.60%010%0.099CC..G310 helixtrans-81.8-6.9172.449.612.1000113.4D173 V174 H175 G260 L264 D267 G270 G299 Y301D173-D262 VanDerWaalsContact OD1-OD1 3.07Å; V174-D262 HydrophobicContact CG1-CB 3.86Å; V174-D262 VanDerWaalsContact CG1-CG 3.43Å; V174-D262 WeakPolarHBondContact CG1-OD1 3.35Å; V174-D262 PolarHBondContact N-OD1 3.24Å; V174-D262 VanDerWaalsContact N-OD1 3.15Å; H175-D262 IonicContact CE1-OD2 3.72Å; H175-D262 PolarHBondContact CE1-OD2 3.05Å; H175-D262 IonicContact ND1-OD2 3.87Å; H175-D262 PolarHBondContact ND1-OD2 3.04Å; G260-D262 VanDerWaalsContact C-N 3.31Å; G260-D262 PolarHBondContact O-N 3.29Å; D262-L264 PolarHBondContact O-N 3.44Å; D262-D267 HydrophobicContact CB-CB 4.36Å; D262-D267 WeakPolarHBondContact CB-OD2 3.49Å; D262-G270 VanDerWaalsContact O-CA 3.29Å; D262-G270 WeakPolarHBondContact O-CA 3.27Å; D262-G299 WeakPolarHBondContact OD2-CA 3.3Å; D262-Y301 HydrophobicContact CB-CD2 4Å; D262-Y301 HydrophobicContact CB-CE2 3.89Å; D262-Y301 VanDerWaalsContact OD2-CE2 3.23Å; D262-Y301 WeakPolarHBondContact OD2-CE2 3.41Å
263S98.3Very high98.1Very high0 Ų019.7 Ų19.70%010%0.104CC..G310 helixtrans-71-10.4164.360.90000113.1I172 G260 A261 F272 L274 H279I172-S263 WeakPolarHBondContact O-CB 3.39Å; I172-S263 PolarHBondContact O-OG 3.19Å; G260-S263 PolarHBondContact O-OG 2.9Å; A261-S263 VanDerWaalsContact C-N 3.31Å; S263-F272 WeakPolarHBondContact O-CB 3.48Å; S263-L274 VanDerWaalsContact O-CB 3.32Å; S263-L274 WeakPolarHBondContact O-CB 3.36Å; S263-L274 WeakPolarHBondContact O-CG 3.27Å; S263-L274 PolarHBondContact O-N 3.27Å; S263-H279 PolarHBondContact OG-CD2 3.02Å; S263-H279 PolarHBondContact OG-NE2 3.25Å
264L98.6Very high98.1Very high2 Ų217.9 Ų17.91%0.019%0.093CC..BIsolated β-bridgetrans-69146.6175.9-63176.8000112.2A261 D262 D267 L274 I276 H279 N305 C309 L347A261-L264 HydrophobicContact CB-CD1 4.07Å; A261-L264 WeakPolarHBondContact O-CB 3.3Å; A261-L264 WeakPolarHBondContact O-CD1 3.28Å; A261-L264 WeakPolarHBondContact O-CG 3.29Å; A261-L264 PolarHBondContact O-N 3.18Å; D262-L264 PolarHBondContact O-N 3.44Å; L264-D267 WeakPolarHBondContact O-CB 3.44Å; L264-D267 PolarHBondContact O-N 3.4Å; L264-L274 CarbonylContact C-O 3.54Å; L264-L274 WeakPolarHBondContact CA-O 3.27Å; L264-L274 HydrophobicContact CD2-CB 4.45Å; L264-I276 HydrophobicContact CD1-CG1 4.12Å; L264-I276 HydrophobicContact CD2-CG1 4.18Å; L264-H279 HydrophobicContact CD2-CB 3.9Å; L264-N305 HydrophobicContact CD1-CB 4.27Å; L264-C309 HydrophobicContact CD1-CB 3.76Å; L264-L347 HydrophobicContact CB-CD1 4.2Å; L264-L347 HydrophobicContact CD1-CD1 4.44Å; L264-L347 HydrophobicContact CD2-CD1 4.44Å
265G97.9Very high98.1Very high0 Ų019.3 Ų19.30%010%0.103CC..THydrogen-bonded Turntrans-57.7146.8166.500000111.9D267 F272 L274 L347G265-D267 PolarHBondContact O-N 2.82Å; G265-F272 WeakPolarHBondContact CA-O 3.36Å; G265-L274 PolarHBondContact N-O 2.9Å; G265-L347 WeakPolarHBondContact CA-O 3.3Å
266C96.4Very high98.1Very high65 Ų6519.4 Ų19.444%0.43910%0.103SC..THydrogen-bonded Turntrans62.119.6-175.6-58.70000114.8T302 T349C266-T302 PolarHBondContact O-OG1 3.4Å; C266-T349 VanDerWaalsContact N-CG2 3.34Å
267D97.9Very high98.1Very high18 Ų1825.1 Ų25.110%0.09613%0.125CC..  trans-66.6156.4162.3-170.568.9000111.2D262 L264 G265 L269 G270 Y301 T302D262-D267 HydrophobicContact CB-CB 4.36Å; D262-D267 WeakPolarHBondContact CB-OD2 3.49Å; L264-D267 WeakPolarHBondContact O-CB 3.44Å; L264-D267 PolarHBondContact O-N 3.4Å; G265-D267 PolarHBondContact O-N 2.82Å; D267-L269 PolarHBondContact OD2-N 3.05Å; D267-G270 PolarHBondContact OD2-N 3.29Å; D267-Y301 PolarHBondContact OD1-N 2.93Å; D267-Y301 WeakPolarHBondContact OD2-CD2 3.19Å; D267-T302 PolarHBondContact OD1-N 2.83Å
268R96.5Very high98.1Very high143 Ų14325.2 Ų25.254%0.5413%0.126SC..SBendtrans-79.6-29.2-177.8-65.9175.262-163.9-3.7113.6Y301R268-Y301 VanDerWaalsContact CD-O 3.24Å; R268-Y301 WeakPolarHBondContact CD-O 3.4Å
269L96.9Very high98.1Very high63 Ų6325.2 Ų25.233%0.3313%0.126SC..SBendtrans-119.2-21.3-176.1-56.6-174.9000112.4P25 F147 D267 Y301P25-L269 HydrophobicContact CB-CD1 3.99Å; P25-L269 HydrophobicContact CB-CG 4.46Å; P25-L269 HydrophobicContact CG-CD1 3.85Å; F147-L269 HydrophobicContact CE2-CD1 3.67Å; F147-L269 HydrophobicContact CZ-CD1 3.86Å; D267-L269 PolarHBondContact OD2-N 3.05Å; L269-Y301 HydrophobicContact CB-CD2 3.64Å; L269-Y301 HydrophobicContact CB-CE2 3.91Å; L269-Y301 HydrophobicContact CB-CG 4.49Å; L269-Y301 HydrophobicContact CD1-CD1 4.23Å; L269-Y301 HydrophobicContact CD1-CD2 3.62Å; L269-Y301 HydrophobicContact CD1-CE1 4.26Å; L269-Y301 HydrophobicContact CD1-CE2 3.66Å; L269-Y301 HydrophobicContact CD1-CG 3.91Å; L269-Y301 HydrophobicContact CG-CD2 3.67Å; L269-Y301 HydrophobicContact CG-CE2 4.12Å; L269-Y301 HydrophobicContact CG-CG 4.06Å
270G97.3Very high98.1Very high11 Ų1125.2 Ų25.211%0.11313%0.126CC..  trans-80.2156.5171.300000114.5D262 D267D262-G270 VanDerWaalsContact O-CA 3.29Å; D262-G270 WeakPolarHBondContact O-CA 3.27Å; D267-G270 PolarHBondContact OD2-N 3.29Å
271V97.4Very high98.1Very high37 Ų3729.3 Ų29.322%0.22414%0.142CC..  trans-132.221-176.3-63.80000112.5R197 F202 E228 G229 L351R197-V271 HydrophobicContact CB-CG2 4.26Å; R197-V271 HydrophobicContact CG-CG2 3.66Å; F202-V271 HydrophobicContact CE2-CG1 4.46Å; F202-V271 HydrophobicContact CE2-CG2 4.09Å; F202-V271 HydrophobicContact CZ-CG2 4.43Å; E228-V271 CarbonylContact C-O 3.57Å; E228-V271 WeakPolarHBondContact CA-O 3.4Å; E228-V271 HydrophobicContact CB-CB 4Å; E228-V271 HydrophobicContact CB-CG2 3.81Å; G229-V271 PolarHBondContact N-O 3.18Å; V271-L351 HydrophobicContact CB-CD1 4.19Å
272F98.2Very high98.1Very high2 Ų229.2 Ų29.21%0.00914%0.141CC..  trans-93.1168.2171.3-73.7-2.8000110.8V174 R197 L226 K227 I230 Y235 S263 G265 L274V174-F272 HydrophobicContact CB-CD2 4.45Å; V174-F272 HydrophobicContact CG2-CD1 4.04Å; V174-F272 HydrophobicContact CG2-CD2 3.9Å; V174-F272 HydrophobicContact CG2-CE1 4.13Å; V174-F272 HydrophobicContact CG2-CE2 3.97Å; V174-F272 HydrophobicContact CG2-CG 3.91Å; V174-F272 HydrophobicContact CG2-CZ 4.07Å; R197-F272 HydrophobicContact CB-CD1 4.42Å; R197-F272 HydrophobicContact CB-CE1 3.55Å; R197-F272 HydrophobicContact CB-CZ 3.82Å; R197-F272 HydrophobicContact CG-CE1 3.96Å; L226-F272 HydrophobicContact CB-CE1 4.11Å; L226-F272 HydrophobicContact CB-CZ 3.72Å; L226-F272 HydrophobicContact CD1-CE2 4.11Å; L226-F272 HydrophobicContact CD1-CZ 3.95Å; L226-F272 HydrophobicContact CG-CZ 4.45Å; K227-F272 WeakPolarHBondContact O-CE1 3.33Å; I230-F272 HydrophobicContact CG2-CB 4.08Å; I230-F272 HydrophobicContact CG2-CD1 3.67Å; I230-F272 HydrophobicContact CG2-CD2 3.79Å; I230-F272 HydrophobicContact CG2-CE1 3.99Å; I230-F272 HydrophobicContact CG2-CE2 4.14Å; I230-F272 HydrophobicContact CG2-CG 3.57Å; I230-F272 HydrophobicContact CG2-CZ 4.23Å; Y235-F272 HydrophobicContact CD2-CE2 4.46Å; Y235-F272 HydrophobicContact CE2-CD2 4.32Å; Y235-F272 HydrophobicContact CE2-CE2 4.02Å; S263-F272 WeakPolarHBondContact O-CB 3.48Å; G265-F272 WeakPolarHBondContact CA-O 3.36Å; F272-L274 HydrophobicContact CB-CG 4.45Å
273N97.8Very high98.1Very high30 Ų3029.2 Ų29.216%0.1614%0.141CC..BIsolated β-bridgetrans-117.235.2-179.2-75.9-27.4000111.6G229 I230 T349 L351G229-N273 WeakPolarHBondContact CA-ND2 3.41Å; G229-N273 PolarHBondContact O-ND2 2.84Å; I230-N273 CarbonylContact O-C 3.55Å; I230-N273 WeakPolarHBondContact O-CA 3.41Å; I230-N273 WeakPolarHBondContact O-CB 3.36Å; I230-N273 PolarHBondContact O-N 3.04Å; N273-T349 WeakPolarHBondContact OD1-CB 3.28Å; N273-T349 VanDerWaalsContact OD1-CG2 3.24Å; N273-T349 WeakPolarHBondContact OD1-CG2 3.39Å; N273-T349 PolarHBondContact OD1-OG1 3.11Å; N273-L351 PolarHBondContact ND2-O 2.98Å
274L98.6Very high98.1Very high1 Ų131.8 Ų31.81%0.00515%0.151CC..BIsolated β-bridgetrans-74.4138179.2-54.6-170.7000111I230 D232 Y235 S263 L264 G265 F272I230-L274 HydrophobicContact CG2-CD2 4.48Å; D232-L274 VanDerWaalsContact OD1-CA 3.28Å; D232-L274 WeakPolarHBondContact OD1-CA 3.33Å; Y235-L274 HydrophobicContact CD1-CD1 3.89Å; Y235-L274 HydrophobicContact CD1-CD2 4.27Å; Y235-L274 HydrophobicContact CD2-CD1 4.05Å; Y235-L274 HydrophobicContact CD2-CD2 4.17Å; Y235-L274 HydrophobicContact CE1-CD1 3.96Å; Y235-L274 HydrophobicContact CE2-CD1 4.12Å; Y235-L274 HydrophobicContact CG-CD1 3.94Å; Y235-L274 HydrophobicContact CG-CD2 3.76Å; Y235-L274 HydrophobicContact CG-CG 4.48Å; S263-L274 VanDerWaalsContact O-CB 3.32Å; S263-L274 WeakPolarHBondContact O-CB 3.36Å; S263-L274 WeakPolarHBondContact O-CG 3.27Å; S263-L274 PolarHBondContact O-N 3.27Å; L264-L274 CarbonylContact C-O 3.54Å; L264-L274 WeakPolarHBondContact CA-O 3.27Å; L264-L274 HydrophobicContact CD2-CB 4.45Å; G265-L274 PolarHBondContact N-O 2.9Å; F272-L274 HydrophobicContact CB-CG 4.45Å
275S98.5Very high98.1Very high31 Ų3132.4 Ų32.422%0.21715%0.154CC..  trans-83.1163.3164.683.30000110.1D232 R277 G278 H279D232-S275 PolarHBondContact OD1-N 3.27Å; D232-S275 VanDerWaalsContact OD2-CB 3.28Å; D232-S275 WeakPolarHBondContact OD2-CB 3.42Å; D232-S275 PolarHBondContact OD2-OG 3.1Å; S275-R277 PolarHBondContact O-N 3.4Å; S275-R277 PolarHBondContact OG-N 2.99Å; S275-G278 PolarHBondContact O-N 3.15Å; S275-G278 VanDerWaalsContact O-N 3.08Å; S275-G278 PolarHBondContact OG-N 2.92Å; S275-H279 PolarHBondContact O-N 3.22Å
276I98.6Very high98.1Very high3 Ų332.5 Ų32.52%0.01516%0.155CC..Hα-helixtrans-57.6-33.3171.8-69.9165.8000111.4L264 G280 R308 C309 Y312 L343 L347L264-I276 HydrophobicContact CD1-CG1 4.12Å; L264-I276 HydrophobicContact CD2-CG1 4.18Å; I276-G280 PolarHBondContact O-N 3.11Å; I276-R308 HydrophobicContact CD1-CB 3.49Å; I276-R308 VanDerWaalsContact CD1-CB 3.49Å; I276-R308 HydrophobicContact CD1-CG 4.48Å; I276-C309 HydrophobicContact CG1-CB 4.1Å; I276-Y312 HydrophobicContact CG2-CD1 3.55Å; I276-Y312 HydrophobicContact CG2-CE1 4.44Å; I276-Y312 HydrophobicContact CG2-CG 3.8Å; I276-Y312 WeakPolarHBondContact O-CD1 3.26Å; I276-L343 WeakPolarHBondContact CD1-O 3.38Å; I276-L347 HydrophobicContact CD1-CD1 4.33Å; I276-L347 HydrophobicContact CG1-CD1 4.08Å
277R98.4Very high98.2Very high120 Ų12030.5 Ų30.545%0.45314%0.138SC..Hα-helixtrans-71.2-39.9176.7-65.7-171.7-176.9-77.73.5111.6S275 R281 H344S275-R277 PolarHBondContact O-N 3.4Å; S275-R277 PolarHBondContact OG-N 2.99Å; R277-R281 WeakPolarHBondContact O-CB 3.3Å; R277-R281 PolarHBondContact O-N 3.48Å; R277-H344 VanDerWaalsContact CZ-NE2 3.35Å; R277-H344 PolarHBondContact NH1-NE2 3.36Å; R277-H344 PolarHBondContact NH2-CD2 3.1Å; R277-H344 PolarHBondContact NH2-NE2 3.11Å
278G98.5Very high98.2Very high3 Ų336.4 Ų36.43%0.03117%0.165CC..Hα-helixtrans-63.4-45.3175.200000112.3D232 S275 R281 C282D232-G278 VanDerWaalsContact CG-CA 3.49Å; D232-G278 WeakPolarHBondContact OD1-CA 3.39Å; S275-G278 PolarHBondContact O-N 3.15Å; S275-G278 VanDerWaalsContact O-N 3.08Å; S275-G278 PolarHBondContact OG-N 2.92Å; G278-R281 VanDerWaalsContact O-CB 3.25Å; G278-R281 WeakPolarHBondContact O-CB 3.46Å; G278-R281 PolarHBondContact O-N 3.33Å; G278-C282 PolarHBondContact O-N 2.66Å
279H98.8Very high98.3Very high0 Ų031.8 Ų31.80%015%0.151CC..Hα-helixtrans-61-52.6175.3-156.8-92.9000111.3I172 G260 S263 L264 S275 R281 C282 V283 E313I172-H279 WeakPolarHBondContact CD1-CE1 3.26Å; I172-H279 WeakPolarHBondContact CD1-NE2 3.32Å; G260-H279 PolarHBondContact O-NE2 2.89Å; G260-H279 VanDerWaalsContact O-NE2 3.07Å; S263-H279 PolarHBondContact OG-CD2 3.02Å; S263-H279 PolarHBondContact OG-NE2 3.25Å; L264-H279 HydrophobicContact CD2-CB 3.9Å; S275-H279 PolarHBondContact O-N 3.22Å; H279-R281 PolarHBondContact O-N 2.92Å; H279-R281 VanDerWaalsContact O-N 3.13Å; H279-C282 VanDerWaalsContact O-CB 3.29Å; H279-C282 WeakPolarHBondContact O-CB 3.45Å; H279-C282 PolarHBondContact O-N 3.19Å; H279-V283 PolarHBondContact O-N 2.83Å; H279-E313 IonicContact CE1-OE1 2.69Å; H279-E313 PolarHBondContact CE1-OE1 3.03Å; H279-E313 IonicContact CG-OE1 2.67Å; H279-E313 IonicContact ND1-OE1 2.72Å; H279-E313 PolarHBondContact ND1-OE1 2.96Å
280G98.8Very high98.3Very high0 Ų030.6 Ų30.60%015%0.154CC..Hα-helixtrans-63.2-20.8175.900000114.4I276 C282 V283 R284I276-G280 PolarHBondContact O-N 3.11Å; G280-C282 VanDerWaalsContact C-N 3.3Å; G280-V283 PolarHBondContact O-N 2.81Å; G280-R284 WeakPolarHBondContact O-CB 3.34Å; G280-R284 PolarHBondContact O-N 3.02Å
281R98.7Very high98.4Very high85 Ų8532.3 Ų32.332%0.32116%0.16SC..Hα-helixtrans-65.9-34.3172.1-165.9-174.3-178.8176.60.2111.8D233 F236 R277 G278 H279 M285D233-R281 IonicContact OD1-NH1 3.44Å; D233-R281 PolarHBondContact OD1-NH1 3.22Å; F236-R281 HydrophobicContact CD1-CG 4.33Å; F236-R281 HydrophobicContact CD2-CB 4.15Å; F236-R281 HydrophobicContact CD2-CG 3.65Å; F236-R281 HydrophobicContact CE1-CG 4.22Å; F236-R281 HydrophobicContact CE2-CB 4.29Å; F236-R281 HydrophobicContact CE2-CG 3.56Å; F236-R281 WeakPolarHBondContact CE2-O 3.24Å; F236-R281 VanDerWaalsContact CG-CD 3.47Å; F236-R281 HydrophobicContact CG-CG 4.04Å; F236-R281 HydrophobicContact CZ-CG 3.84Å; R277-R281 WeakPolarHBondContact O-CB 3.3Å; R277-R281 PolarHBondContact O-N 3.48Å; G278-R281 VanDerWaalsContact O-CB 3.25Å; G278-R281 WeakPolarHBondContact O-CB 3.46Å; G278-R281 PolarHBondContact O-N 3.33Å; H279-R281 PolarHBondContact O-N 2.92Å; H279-R281 VanDerWaalsContact O-N 3.13Å; R281-M285 PolarHBondContact O-N 3.35Å; R281-M285 VanDerWaalsContact O-N 3.16Å
282C98.9Very high98.4Very high0 Ų032.8 Ų32.80%016%0.164CC..Hα-helixtrans-67.9-46.3174.2-57.20000110.4I172 Y235 F239 G278 H279 G280 R284 M285 V286I172-C282 HydrophobicContact CD1-CB 4.17Å; Y235-C282 VanDerWaalsContact CE1-SG 3.57Å; F239-C282 HydrophobicContact CD1-CB 4.03Å; F239-C282 HydrophobicContact CD2-CB 4.4Å; F239-C282 HydrophobicContact CE1-CB 3.67Å; F239-C282 HydrophobicContact CE2-CB 4.09Å; F239-C282 HydrophobicContact CG-CB 4.38Å; F239-C282 HydrophobicContact CZ-CB 3.7Å; G278-C282 PolarHBondContact O-N 2.66Å; H279-C282 VanDerWaalsContact O-CB 3.29Å; H279-C282 WeakPolarHBondContact O-CB 3.45Å; H279-C282 PolarHBondContact O-N 3.19Å; G280-C282 VanDerWaalsContact C-N 3.3Å; C282-R284 VanDerWaalsContact C-N 3.34Å; C282-R284 PolarHBondContact O-N 3.16Å; C282-M285 PolarHBondContact O-N 3.14Å; C282-V286 WeakPolarHBondContact O-CG2 3.29Å; C282-V286 PolarHBondContact O-N 3.32Å
283V98.9Very high98.5Very high0 Ų032.8 Ų32.80%016%0.164CC..Hα-helixtrans-57.6-45.6174.9-178.50000111.7I172 L257 H279 G280 M285 V286 K287 E313 V316 L317I172-V283 HydrophobicContact CD1-CG2 4.47Å; L257-V283 HydrophobicContact CD2-CB 4.34Å; L257-V283 HydrophobicContact CD2-CG1 4.24Å; L257-V283 HydrophobicContact CD2-CG2 4.07Å; H279-V283 PolarHBondContact O-N 2.83Å; G280-V283 PolarHBondContact O-N 2.81Å; V283-M285 PolarHBondContact O-N 2.88Å; V283-V286 PolarHBondContact O-N 3.21Å; V283-K287 WeakPolarHBondContact O-CB 3.43Å; V283-K287 PolarHBondContact O-N 2.81Å; V283-E313 HydrophobicContact CB-CG 4.5Å; V283-E313 HydrophobicContact CG2-CB 4.47Å; V283-E313 HydrophobicContact CG2-CG 3.89Å; V283-E313 WeakPolarHBondContact CG2-OE1 3.15Å; V283-V316 HydrophobicContact CB-CG1 4.48Å; V283-V316 HydrophobicContact CG1-CG1 4.29Å; V283-L317 HydrophobicContact CG1-CD1 4.39Å; V283-L317 HydrophobicContact CG1-CD2 3.71Å; V283-L317 HydrophobicContact CG1-CG 3.9Å
284R98.7Very high98.5Very high54 Ų5431.4 Ų31.420%0.20416%0.156CC..Hα-helixtrans-57.3-48.7177.1-170.3-171.3-55.4100.38.5111.7G280 C282 V286 K287 E288 Y312 V316 E321G280-R284 WeakPolarHBondContact O-CB 3.34Å; G280-R284 PolarHBondContact O-N 3.02Å; C282-R284 VanDerWaalsContact C-N 3.34Å; C282-R284 PolarHBondContact O-N 3.16Å; R284-V286 VanDerWaalsContact C-N 3.34Å; R284-V286 PolarHBondContact O-N 2.98Å; R284-K287 WeakPolarHBondContact O-CB 3.33Å; R284-K287 PolarHBondContact O-N 2.99Å; R284-E288 VanDerWaalsContact O-CG 3.31Å; R284-E288 WeakPolarHBondContact O-CG 3.36Å; R284-E288 PolarHBondContact O-N 2.85Å; R284-Y312 PolarHBondContact NH2-OH 3.1Å; R284-V316 HydrophobicContact CB-CG1 3.64Å; R284-V316 HydrophobicContact CG-CG1 4.2Å; R284-E321 IonicContact CZ-OE1 3.84Å; R284-E321 IonicContact CZ-OE2 3.48Å; R284-E321 IonicContact NE-OE1 3.95Å; R284-E321 PolarHBondContact NE-OE1 3.2Å; R284-E321 IonicContact NE-OE2 3.93Å; R284-E321 PolarHBondContact NE-OE2 3.11Å; R284-E321 VanDerWaalsContact NH2-CD 3.32Å; R284-E321 IonicContact NH2-OE1 3.73Å; R284-E321 PolarHBondContact NH2-OE1 2.85Å; R284-E321 IonicContact NH2-OE2 2.83Å; R284-E321 PolarHBondContact NH2-OE2 3.49Å
285M98.7Very high98.5Very high14 Ų1431.3 Ų31.37%0.06916%0.156CC..Hα-helixtrans-60.3-44.6179.9176.5-177.1167.200111.6F236 F239 R240 I243 N244 R281 C282 V283 E288 L289F236-M285 HydrophobicContact CE2-CB 4.03Å; F236-M285 HydrophobicContact CE2-SD 4.14Å; F236-M285 HydrophobicContact CZ-CB 4.26Å; F236-M285 HydrophobicContact CZ-SD 4.19Å; F239-M285 HydrophobicContact CD1-SD 3.9Å; F239-M285 HydrophobicContact CE1-CB 4.37Å; F239-M285 HydrophobicContact CE1-SD 3.91Å; R240-M285 VanDerWaalsContact CA-SD 3.51Å; R240-M285 HydrophobicContact CB-CE 4.21Å; R240-M285 HydrophobicContact CB-SD 3.71Å; R240-M285 HydrophobicContact CG-CE 3.88Å; R240-M285 HydrophobicContact CG-SD 3.72Å; R240-M285 WeakPolarHBondContact O-CE 3.44Å; I243-M285 HydrophobicContact CB-CE 3.83Å; I243-M285 HydrophobicContact CG2-CE 3.8Å; N244-M285 WeakPolarHBondContact OD1-CE 3.24Å; R281-M285 PolarHBondContact O-N 3.35Å; R281-M285 VanDerWaalsContact O-N 3.16Å; C282-M285 PolarHBondContact O-N 3.14Å; V283-M285 PolarHBondContact O-N 2.88Å; M285-E288 PolarHBondContact O-N 2.79Å; M285-L289 PolarHBondContact O-N 3.44Å
286V98.8Very high98.5Very high3 Ų329.9 Ų29.92%0.01815%0.146CC..Hα-helixtrans-64.8-42.2179.2174.10000110.8I170 F239 I255 L257 C282 V283 R284 E288 L289 L293I170-V286 HydrophobicContact CD1-CG1 4.1Å; I170-V286 HydrophobicContact CD1-CG2 3.71Å; F239-V286 HydrophobicContact CE1-CG2 4.14Å; F239-V286 HydrophobicContact CZ-CG2 3.7Å; I255-V286 HydrophobicContact CD1-CG1 4.01Å; I255-V286 HydrophobicContact CG2-CG1 3.9Å; L257-V286 HydrophobicContact CD1-CG2 4.29Å; L257-V286 HydrophobicContact CD2-CB 4.11Å; L257-V286 HydrophobicContact CD2-CG1 4.11Å; L257-V286 HydrophobicContact CD2-CG2 4.37Å; C282-V286 WeakPolarHBondContact O-CG2 3.29Å; C282-V286 PolarHBondContact O-N 3.32Å; V283-V286 PolarHBondContact O-N 3.21Å; R284-V286 VanDerWaalsContact C-N 3.34Å; R284-V286 PolarHBondContact O-N 2.98Å; V286-E288 VanDerWaalsContact C-N 3.3Å; V286-E288 PolarHBondContact O-N 3Å; V286-L289 VanDerWaalsContact O-CB 3.25Å; V286-L289 WeakPolarHBondContact O-CB 3.48Å; V286-L289 WeakPolarHBondContact O-CG 3.5Å; V286-L289 PolarHBondContact O-N 3.28Å; V286-L293 HydrophobicContact CG1-CD1 3.79Å; V286-L293 HydrophobicContact CG1-CD2 4.39Å
287K98.3Very high98.6Very high22 Ų2229.7 Ų29.710%0.09615%0.145CC..Hα-helixtrans-58.7-41.1174.3-174.3-157.9178.3-171.30112.2I128 V283 R284 L289 G290 L293 V316 L317 D319I128-K287 HydrophobicContact CD1-CD 4.48Å; I128-K287 HydrophobicContact CD1-CG 3.95Å; V283-K287 WeakPolarHBondContact O-CB 3.43Å; V283-K287 PolarHBondContact O-N 2.81Å; R284-K287 WeakPolarHBondContact O-CB 3.33Å; R284-K287 PolarHBondContact O-N 2.99Å; K287-L289 PolarHBondContact O-N 2.91Å; K287-G290 PolarHBondContact O-N 2.93Å; K287-L293 HydrophobicContact CB-CD2 4.46Å; K287-V316 PolarHBondContact NZ-O 3.39Å; K287-L317 HydrophobicContact CB-CD2 4.43Å; K287-L317 WeakPolarHBondContact CE-O 3.48Å; K287-L317 HydrophobicContact CG-CD2 4.4Å; K287-L317 PolarHBondContact NZ-O 3.09Å; K287-L317 VanDerWaalsContact NZ-O 3.12Å; K287-D319 IonicContact NZ-OD1 3.09Å; K287-D319 PolarHBondContact NZ-OD1 2.85Å; K287-D319 IonicContact NZ-OD2 2.61Å; K287-D319 PolarHBondContact NZ-OD2 3.35Å
288E97.8Very high98.6Very high142 Ų14224.1 Ų24.166%0.66413%0.125SC*.Hα-helixtrans-65.2-17.2179.3-76171.817700113.7R284 M285 V286 G290R284-E288 VanDerWaalsContact O-CG 3.31Å; R284-E288 WeakPolarHBondContact O-CG 3.36Å; R284-E288 PolarHBondContact O-N 2.85Å; M285-E288 PolarHBondContact O-N 2.79Å; V286-E288 VanDerWaalsContact C-N 3.3Å; V286-E288 PolarHBondContact O-N 3Å; E288-G290 PolarHBondContact O-N 3.27Å
289L98.1Very high98.5Very high47 Ų4724.1 Ų24.125%0.24613%0.125CC..THydrogen-bonded Turntrans-62.9-20.8170.1-59.1173.2000112.2I243 V247 I255 M285 V286 K287 L291I243-L289 HydrophobicContact CG2-CD1 4.12Å; V247-L289 HydrophobicContact CG1-CD2 4.38Å; V247-L289 HydrophobicContact CG2-CD1 3.75Å; V247-L289 HydrophobicContact CG2-CD2 4.16Å; I255-L289 HydrophobicContact CD1-CB 4.43Å; I255-L289 HydrophobicContact CD1-CD1 3.48Å; I255-L289 VanDerWaalsContact CD1-CD1 3.48Å; M285-L289 PolarHBondContact O-N 3.44Å; V286-L289 VanDerWaalsContact O-CB 3.25Å; V286-L289 WeakPolarHBondContact O-CB 3.48Å; V286-L289 WeakPolarHBondContact O-CG 3.5Å; V286-L289 PolarHBondContact O-N 3.28Å; K287-L289 PolarHBondContact O-N 2.91Å; L289-L291 VanDerWaalsContact C-N 3.26Å; L289-L291 PolarHBondContact O-N 3.48Å
290G97Very high98.5Very high37 Ų3724.2 Ų24.238%0.38113%0.126SC..  trans76.45.3170.700000115.6K5 K287 E288K5-G290 PolarHBondContact NZ-O 3.28Å; K287-G290 PolarHBondContact O-N 2.93Å; E288-G290 PolarHBondContact O-N 3.27Å
291L98.2Very high98.5Very high48 Ų4824.7 Ų24.725%0.25113%0.127SC..SBendtrans-79.3155.6177.2-63.1177.8000112P252 I255 L289 L293P252-L291 HydrophobicContact CB-CD1 4.38Å; P252-L291 HydrophobicContact CG-CD1 3.81Å; P252-L291 WeakPolarHBondContact O-CD1 3.31Å; I255-L291 HydrophobicContact CD1-CB 4.41Å; I255-L291 HydrophobicContact CD1-CD1 3.98Å; I255-L291 HydrophobicContact CG1-CB 4.41Å; I255-L291 HydrophobicContact CG1-CD1 4.06Å; L289-L291 VanDerWaalsContact C-N 3.26Å; L289-L291 PolarHBondContact O-N 3.48Å; L291-L293 PolarHBondContact O-N 3.15Å
292P98.7Very high98.4Very high46 Ų4621.5 Ų21.530%0.29912%0.117SC..  trans-52.2124.5167.6-23.832.8000110.7L121 D127 T253 T254 I255L121-P292 HydrophobicContact CD2-CB 4.04Å; D127-P292 WeakPolarHBondContact O-CA 3.24Å; T253-P292 WeakPolarHBondContact O-CD 3.44Å; T254-P292 WeakPolarHBondContact CA-O 3.25Å; T254-P292 PolarHBondContact OG1-O 2.84Å; I255-P292 PolarHBondContact N-O 3.03Å
293L98.9Very high98.4Very high3 Ų323 Ų232%0.01613%0.126CC..EExtended strand (participates in β ladder)trans-125.8118.9-167.3179.363.2000111.4D127 I128 A129 I255 L257 V286 K287 L291 V295 L317D127-L293 PolarHBondContact O-N 2.83Å; I128-L293 CarbonylContact C-O 3.57Å; I128-L293 VanDerWaalsContact CA-O 3.3Å; I128-L293 WeakPolarHBondContact CA-O 3.35Å; I128-L293 HydrophobicContact CG1-CB 4.35Å; A129-L293 PolarHBondContact N-O 2.61Å; I255-L293 HydrophobicContact CB-CD1 3.8Å; I255-L293 HydrophobicContact CG2-CD1 3.71Å; I255-L293 WeakPolarHBondContact O-CA 3.16Å; L257-L293 HydrophobicContact CB-CD1 3.9Å; V286-L293 HydrophobicContact CG1-CD1 3.79Å; V286-L293 HydrophobicContact CG1-CD2 4.39Å; K287-L293 HydrophobicContact CB-CD2 4.46Å; L291-L293 PolarHBondContact O-N 3.15Å; L293-V295 HydrophobicContact CD1-CG2 4.3Å; L293-V295 HydrophobicContact CD2-CG2 3.73Å; L293-V295 HydrophobicContact CG-CG2 3.67Å; L293-L317 HydrophobicContact CD2-CD2 3.94Å
294L98.9Very high98.3Very high0 Ų027.6 Ų27.60%014%0.144CC..EExtended strand (participates in β ladder)trans-93120.6163.5173.654.9000108.3A117 L121 A129 A156 I255 V256 L257 V296A117-L294 HydrophobicContact CB-CD1 3.52Å; L121-L294 HydrophobicContact CD1-CB 3.73Å; A129-L294 HydrophobicContact CB-CD1 4.37Å; A129-L294 CarbonylContact O-C 3.52Å; A129-L294 WeakPolarHBondContact O-CA 3.28Å; A156-L294 HydrophobicContact CB-CD2 3.82Å; I255-L294 PolarHBondContact O-N 2.97Å; V256-L294 CarbonylContact C-O 3.58Å; V256-L294 WeakPolarHBondContact CA-O 3.17Å; V256-L294 HydrophobicContact CG1-CB 4.44Å; V256-L294 HydrophobicContact CG1-CD2 4.14Å; V256-L294 HydrophobicContact CG1-CG 4.2Å; V256-L294 HydrophobicContact CG2-CB 4.25Å; V256-L294 HydrophobicContact CG2-CD2 4.18Å; L257-L294 PolarHBondContact N-O 3.13Å; L294-V296 HydrophobicContact CD1-CG1 4.05Å; L294-V296 HydrophobicContact CD2-CG1 4.36Å; L294-V296 HydrophobicContact CG-CG1 3.98Å
295V99Very high98.3Very high0 Ų025.3 Ų25.30%014%0.136CC..EExtended strand (participates in β ladder)trans-107.5125.2173.2-172.80000108.4I128 A129 I130 N131 W132 L257 L293 L317I128-V295 HydrophobicContact CG2-CG2 4.39Å; A129-V295 PolarHBondContact O-N 3.29Å; I130-V295 CarbonylContact C-O 3.54Å; I130-V295 WeakPolarHBondContact CA-O 3.46Å; N131-V295 PolarHBondContact N-O 3.27Å; W132-V295 HydrophobicContact CH2-CG1 3.69Å; W132-V295 HydrophobicContact CZ3-CG1 3.72Å; L257-V295 WeakPolarHBondContact O-CA 3.42Å; L293-V295 HydrophobicContact CD1-CG2 4.3Å; L293-V295 HydrophobicContact CD2-CG2 3.73Å; L293-V295 HydrophobicContact CG-CG2 3.67Å; V295-L317 HydrophobicContact CB-CD1 4.19Å; V295-L317 HydrophobicContact CG1-CD1 4.18Å; V295-L317 HydrophobicContact CG2-CD1 3.8Å; V295-L317 HydrophobicContact CG2-CD2 3.92Å
296V99Very high98.3Very high0 Ų024.7 Ų24.70%013%0.133CC..EExtended strand (participates in β ladder)trans-119.3163.3176.3-610000110.6N131 G135 I153 L257 Q258 C259 L294N131-V296 VanDerWaalsContact O-CA 3.27Å; N131-V296 WeakPolarHBondContact O-CA 3.35Å; G135-V296 VanDerWaalsContact CA-CG2 3.49Å; I153-V296 HydrophobicContact CD1-CG2 4.23Å; I153-V296 HydrophobicContact CG1-CG2 4.04Å; L257-V296 PolarHBondContact O-N 2.91Å; Q258-V296 HydrophobicContact CB-CG2 3.96Å; Q258-V296 HydrophobicContact CG-CG2 4.12Å; C259-V296 WeakPolarHBondContact CB-O 3.33Å; C259-V296 PolarHBondContact N-O 2.78Å; L294-V296 HydrophobicContact CD1-CG1 4.05Å; L294-V296 HydrophobicContact CD2-CG1 4.36Å; L294-V296 HydrophobicContact CG-CG1 3.98Å
297G98.8Very high98.3Very high0 Ų024.6 Ų24.60%013%0.132CC..  trans-70.3-134.3172.800000112.2N131 G134 Q258 C259 W310N131-G297 PolarHBondContact O-N 2.96Å; N131-G297 VanDerWaalsContact O-N 3.14Å; G134-G297 CarbonylContact O-C 3.6Å; G134-G297 VanDerWaalsContact O-C 3.29Å; G134-G297 VanDerWaalsContact O-CA 3.31Å; G134-G297 WeakPolarHBondContact O-CA 3.47Å; G134-G297 PolarHBondContact O-N 3.44Å; Q258-G297 WeakPolarHBondContact CG-O 3.45Å; C259-G297 CarbonylContact C-O 3.21Å; C259-G297 PolarHBondContact N-O 2.9Å; G297-W310 VanDerWaalsContact CA-CZ2 3.46Å
298G98.5Very high98.3Very high2 Ų223.6 Ų23.62%0.02113%0.128CC..  trans152.8-151.9-174.300000112.9R30 G134R30-G298 VanDerWaalsContact CZ-O 3.32Å; R30-G298 PolarHBondContact NH1-O 3.03Å; R30-G298 PolarHBondContact NH2-O 2.9Å; G134-G298 PolarHBondContact O-N 3.08Å
299G98Very high98.3Very high4 Ų416.8 Ų16.84%0.04110%0.096CC..  trans-62.7177.4170.300000113.7R30 D173 A261 D262R30-G299 VanDerWaalsContact NH1-C 3.29Å; R30-G299 PolarHBondContact NH1-O 3.21Å; D173-G299 WeakPolarHBondContact OD2-CA 3.23Å; D173-G299 PolarHBondContact OD2-N 3.3Å; A261-G299 PolarHBondContact N-O 3.19Å; D262-G299 WeakPolarHBondContact OD2-CA 3.3Å
300G98.3Very high98.4Very high1 Ų114.6 Ų14.61%0.018%0.084CC..  trans129.2112.1-175.900000112.3R30 V306R30-G300 PolarHBondContact NH1-O 2.77Å; G300-V306 VanDerWaalsContact C-CG2 3.46Å; G300-V306 WeakPolarHBondContact O-CG2 3.48Å
301Y98.2Very high98.4Very high10 Ų1012.8 Ų12.84%0.0397%0.066CC..  trans-123-6.5-164.1-51.6-69.7000112.9P25 M26 F147 D262 D267 R268 L269 V303P25-Y301 HydrophobicContact CB-CD1 3.91Å; P25-Y301 HydrophobicContact CB-CG 4.21Å; P25-Y301 HydrophobicContact CG-CD1 4.5Å; M26-Y301 HydrophobicContact CE-CE1 3.89Å; F147-Y301 AromaticContact CD2-CE1 3.48Å; F147-Y301 HydrophobicContact CD2-CE1 3.48Å; F147-Y301 VanDerWaalsContact CD2-CE1 3.48Å; F147-Y301 AromaticContact CD2-CZ 3.74Å; F147-Y301 WeakPolarHBondContact CD2-OH 3.44Å; F147-Y301 HydrophobicContact CE2-CD1 4.24Å; F147-Y301 AromaticContact CE2-CE1 3.41Å; F147-Y301 HydrophobicContact CE2-CE1 3.41Å; F147-Y301 VanDerWaalsContact CE2-CE1 3.41Å; F147-Y301 AromaticContact CE2-CZ 3.57Å; D262-Y301 HydrophobicContact CB-CD2 4Å; D262-Y301 HydrophobicContact CB-CE2 3.89Å; D262-Y301 VanDerWaalsContact OD2-CE2 3.23Å; D262-Y301 WeakPolarHBondContact OD2-CE2 3.41Å; D267-Y301 PolarHBondContact OD1-N 2.93Å; D267-Y301 WeakPolarHBondContact OD2-CD2 3.19Å; R268-Y301 VanDerWaalsContact CD-O 3.24Å; R268-Y301 WeakPolarHBondContact CD-O 3.4Å; L269-Y301 HydrophobicContact CB-CD2 3.64Å; L269-Y301 HydrophobicContact CB-CE2 3.91Å; L269-Y301 HydrophobicContact CB-CG 4.49Å; L269-Y301 HydrophobicContact CD1-CD1 4.23Å; L269-Y301 HydrophobicContact CD1-CD2 3.62Å; L269-Y301 HydrophobicContact CD1-CE1 4.26Å; L269-Y301 HydrophobicContact CD1-CE2 3.66Å; L269-Y301 HydrophobicContact CD1-CG 3.91Å; L269-Y301 HydrophobicContact CG-CD2 3.67Å; L269-Y301 HydrophobicContact CG-CE2 4.12Å; L269-Y301 HydrophobicContact CG-CG 4.06Å; Y301-V303 PolarHBondContact O-N 3.25Å
302T97.7Very high98.5Very high18 Ų1810.8 Ų10.811%0.116%0.055CC..SBendtrans-92.285.8161.3-62.90000109.9C266 D267 R304 N305 V306C266-T302 PolarHBondContact O-OG1 3.4Å; D267-T302 PolarHBondContact OD1-N 2.83Å; T302-R304 VanDerWaalsContact C-N 3.29Å; T302-R304 HydrophobicContact CG2-CG 4.06Å; T302-R304 PolarHBondContact O-N 3.28Å; T302-N305 HydrophobicContact CG2-CB 4.04Å; T302-N305 WeakPolarHBondContact CG2-ND2 3.5Å; T302-N305 PolarHBondContact O-N 2.55Å; T302-V306 PolarHBondContact O-N 2.62Å; T302-V306 VanDerWaalsContact O-N 3.15Å
303V97.5Very high98.5Very high31 Ų318.6 Ų8.619%0.1884%0.041CC..Hα-helixtrans-39.4-49.9-171-175.70000114.2K27 R30 L33 Y301 N305 V306 A307K27-V303 HydrophobicContact CB-CG2 3.77Å; K27-V303 HydrophobicContact CG-CG2 4.09Å; R30-V303 HydrophobicContact CB-CB 4.43Å; R30-V303 HydrophobicContact CB-CG1 3.71Å; L33-V303 HydrophobicContact CD1-CG1 3.63Å; Y301-V303 PolarHBondContact O-N 3.25Å; V303-N305 PolarHBondContact O-N 3.25Å; V303-V306 PolarHBondContact O-N 3.06Å; V303-A307 PolarHBondContact O-N 2.88Å; V303-A307 VanDerWaalsContact O-N 3.11Å
304R97.4Very high98.5Very high98 Ų988.5 Ų8.537%0.374%0.04SC..Hα-helixtrans-64-36.3-179.463.1-176.8178.8-140-5.1113.5T302 R308 F336 F337 Y338T302-R304 VanDerWaalsContact C-N 3.29Å; T302-R304 HydrophobicContact CG2-CG 4.06Å; T302-R304 PolarHBondContact O-N 3.28Å; R304-R308 VanDerWaalsContact O-CG 3.3Å; R304-R308 WeakPolarHBondContact O-CG 3.5Å; R304-R308 PolarHBondContact O-N 2.9Å; R304-R308 VanDerWaalsContact O-N 3.11Å; R304-F336 WeakPolarHBondContact CB-O 3.14Å; R304-F337 HydrophobicContact CB-CD1 3.95Å; R304-F337 HydrophobicContact CB-CE1 4.2Å; R304-Y338 PolarHBondContact NH1-O 2.82Å
305N98.2Very high98.5Very high6 Ų68.5 Ų8.53%0.0324%0.04CC..Hα-helixtrans-76.2-36.4-179.8-70.2-9000111L264 T302 V303 A307 R308 C309 L347L264-N305 HydrophobicContact CD1-CB 4.27Å; T302-N305 HydrophobicContact CG2-CB 4.04Å; T302-N305 WeakPolarHBondContact CG2-ND2 3.5Å; T302-N305 PolarHBondContact O-N 2.55Å; V303-N305 PolarHBondContact O-N 3.25Å; N305-A307 VanDerWaalsContact C-N 3.34Å; N305-A307 PolarHBondContact O-N 2.74Å; N305-R308 PolarHBondContact O-N 3.16Å; N305-R308 PolarHBondContact OD1-NH1 3.45Å; N305-C309 VanDerWaalsContact O-CB 3.29Å; N305-C309 WeakPolarHBondContact O-CB 3.49Å; N305-C309 PolarHBondContact O-N 3.02Å; N305-L347 WeakPolarHBondContact ND2-CD2 3.34Å
306V98.7Very high98.5Very high1 Ų18.6 Ų8.61%0.0064%0.041CC..Hα-helixtrans-57-50.1171.1-177.60000110.3R30 A261 G300 T302 V303 R308 C309 W310R30-V306 HydrophobicContact CB-CB 4.41Å; R30-V306 HydrophobicContact CB-CG1 4.37Å; R30-V306 HydrophobicContact CG-CG1 4.3Å; A261-V306 HydrophobicContact CB-CB 4.36Å; A261-V306 HydrophobicContact CB-CG1 4.19Å; A261-V306 HydrophobicContact CB-CG2 4.12Å; G300-V306 VanDerWaalsContact C-CG2 3.46Å; G300-V306 WeakPolarHBondContact O-CG2 3.48Å; T302-V306 PolarHBondContact O-N 2.62Å; T302-V306 VanDerWaalsContact O-N 3.15Å; V303-V306 PolarHBondContact O-N 3.06Å; V306-R308 PolarHBondContact O-N 3.18Å; V306-C309 PolarHBondContact O-N 2.89Å; V306-C309 VanDerWaalsContact O-N 3.16Å; V306-W310 HydrophobicContact CG1-CD2 3.64Å; V306-W310 HydrophobicContact CG1-CE3 3.51Å; V306-W310 HydrophobicContact CG1-CG 4.45Å; V306-W310 HydrophobicContact CG1-CH2 3.66Å; V306-W310 HydrophobicContact CG1-CZ2 3.75Å; V306-W310 HydrophobicContact CG1-CZ3 3.52Å; V306-W310 PolarHBondContact O-N 3.41Å
307A98.5Very high98.4Very high0 Ų08.6 Ų8.60%04%0.041CC..Hα-helixtrans-60.3-44.3179.900000112.8L33 T34 L37 V303 N305 A311 F337L33-A307 HydrophobicContact CB-CB 3.65Å; T34-A307 WeakPolarHBondContact OG1-CA 3.47Å; L37-A307 HydrophobicContact CD1-CB 4.14Å; V303-A307 PolarHBondContact O-N 2.88Å; V303-A307 VanDerWaalsContact O-N 3.11Å; N305-A307 VanDerWaalsContact C-N 3.34Å; N305-A307 PolarHBondContact O-N 2.74Å; A307-A311 WeakPolarHBondContact O-CB 3.47Å; A307-A311 PolarHBondContact O-N 3.37Å; A307-F337 HydrophobicContact CB-CE1 4.06Å; A307-F337 HydrophobicContact CB-CZ 4.08Å
308R98.6Very high98.4Very high1 Ų19.4 Ų9.40%0.0045%0.045CC..Hα-helixtrans-61.7-43.8174.7-69.7171.2178123.53.9111.8L37 I276 R304 N305 V306 Y312 L328 F337 D340 T342 L343L37-R308 HydrophobicContact CD1-CG 4.47Å; I276-R308 HydrophobicContact CD1-CB 3.49Å; I276-R308 VanDerWaalsContact CD1-CB 3.49Å; I276-R308 HydrophobicContact CD1-CG 4.48Å; R304-R308 VanDerWaalsContact O-CG 3.3Å; R304-R308 WeakPolarHBondContact O-CG 3.5Å; R304-R308 PolarHBondContact O-N 2.9Å; R304-R308 VanDerWaalsContact O-N 3.11Å; N305-R308 PolarHBondContact O-N 3.16Å; N305-R308 PolarHBondContact OD1-NH1 3.45Å; V306-R308 PolarHBondContact O-N 3.18Å; R308-Y312 WeakPolarHBondContact O-CB 3.45Å; R308-Y312 PolarHBondContact O-N 3Å; R308-L328 HydrophobicContact CG-CD2 4.5Å; R308-F337 HydrophobicContact CG-CD1 4.13Å; R308-F337 HydrophobicContact CG-CE1 4.05Å; R308-F337 PolarHBondContact NH2-O 3.35Å; R308-D340 PolarHBondContact NH2-O 3.5Å; R308-T342 WeakPolarHBondContact CD-O 3.48Å; R308-T342 PolarHBondContact NE-O 2.65Å; R308-L343 HydrophobicContact CB-CD1 4.14Å; R308-L343 WeakPolarHBondContact O-CD1 3.39Å
309C98.8Very high98.4Very high0 Ų014.3 Ų14.30%07%0.071CC..Hα-helixtrans-62.5-56.2-178.2-165.80000111.7A261 L264 I276 N305 V306 A311 Y312 E313A261-C309 HydrophobicContact CB-CB 4.3Å; L264-C309 HydrophobicContact CD1-CB 3.76Å; I276-C309 HydrophobicContact CG1-CB 4.1Å; N305-C309 VanDerWaalsContact O-CB 3.29Å; N305-C309 WeakPolarHBondContact O-CB 3.49Å; N305-C309 PolarHBondContact O-N 3.02Å; V306-C309 PolarHBondContact O-N 2.89Å; V306-C309 VanDerWaalsContact O-N 3.16Å; C309-A311 VanDerWaalsContact C-N 3.3Å; C309-A311 PolarHBondContact O-N 2.66Å; C309-Y312 WeakPolarHBondContact O-CB 3.48Å; C309-Y312 PolarHBondContact O-N 3.33Å; C309-Y312 VanDerWaalsContact O-N 3.11Å; C309-E313 WeakPolarHBondContact O-CG 3.42Å; C309-E313 PolarHBondContact O-N 2.88Å
310W98.9Very high98.3Very high0 Ų015.8 Ų15.80%08%0.077CC..Hα-helixtrans-66.9-30.1-178.5-67.3-16.2000112.9R30 L31 T34 W132 C259 G297 V306 T314R30-W310 HydrophobicContact CG-CZ3 4.38Å; L31-W310 HydrophobicContact CD2-CE3 4.44Å; L31-W310 HydrophobicContact CD2-CH2 4.47Å; L31-W310 HydrophobicContact CD2-CZ3 3.65Å; T34-W310 HydrophobicContact CG2-CB 3.55Å; T34-W310 HydrophobicContact CG2-CE3 4.2Å; W132-W310 HydrophobicContact CB-CD2 4.23Å; W132-W310 HydrophobicContact CB-CE3 3.74Å; W132-W310 HydrophobicContact CB-CZ3 4.09Å; W132-W310 HydrophobicContact CD2-CB 3.73Å; W132-W310 HydrophobicContact CD2-CD2 4.08Å; W132-W310 HydrophobicContact CD2-CE3 4.45Å; W132-W310 AromaticContact CD2-CG 3.79Å; W132-W310 HydrophobicContact CD2-CG 3.79Å; W132-W310 HydrophobicContact CE3-CB 3.94Å; W132-W310 AromaticContact CE3-CD1 3.59Å; W132-W310 AromaticContact CE3-CD2 3.77Å; W132-W310 HydrophobicContact CE3-CD2 3.77Å; W132-W310 HydrophobicContact CE3-CE3 4.45Å; W132-W310 AromaticContact CE3-CG 3.51Å; W132-W310 HydrophobicContact CE3-CG 3.51Å; W132-W310 AromaticContact CE3-NE1 3.89Å; W132-W310 HydrophobicContact CG-CB 4.16Å; W132-W310 HydrophobicContact CG-CD2 4.3Å; W132-W310 HydrophobicContact CG-CE3 4.19Å; W132-W310 HydrophobicContact CG-CG 4.33Å; W132-W310 HydrophobicContact CH2-CB 4.38Å; W132-W310 HydrophobicContact CH2-CG 4.42Å; W132-W310 HydrophobicContact CZ2-CB 4.18Å; W132-W310 WeakPolarHBondContact CZ2-O 3.44Å; W132-W310 HydrophobicContact CZ3-CB 4.25Å; W132-W310 AromaticContact CZ3-CD1 3.52Å; W132-W310 HydrophobicContact CZ3-CD2 4.47Å; W132-W310 AromaticContact CZ3-CG 3.86Å; W132-W310 HydrophobicContact CZ3-CG 3.86Å; W132-W310 AromaticContact CZ3-NE1 3.98Å; W132-W310 WeakPolarHBondContact O-CH2 3.49Å; W132-W310 WeakPolarHBondContact O-CZ3 3.4Å; C259-W310 PolarHBondContact O-NE1 3.15Å; G297-W310 VanDerWaalsContact CA-CZ2 3.46Å; V306-W310 HydrophobicContact CG1-CD2 3.64Å; V306-W310 HydrophobicContact CG1-CE3 3.51Å; V306-W310 HydrophobicContact CG1-CG 4.45Å; V306-W310 HydrophobicContact CG1-CH2 3.66Å; V306-W310 HydrophobicContact CG1-CZ2 3.75Å; V306-W310 HydrophobicContact CG1-CZ3 3.52Å; V306-W310 PolarHBondContact O-N 3.41Å; W310-T314 WeakPolarHBondContact O-CB 3.41Å; W310-T314 PolarHBondContact O-N 3.39Å; W310-T314 PolarHBondContact O-OG1 3.09Å
311A98.7Very high98.3Very high0 Ų017.4 Ų17.40%08%0.084CC..Hα-helixtrans-66.1-45.1170.200000112L37 V38 L43 A307 C309 T314 A315L37-A311 HydrophobicContact CB-CB 3.64Å; L37-A311 HydrophobicContact CD1-CB 4.04Å; V38-A311 HydrophobicContact CG2-CB 4.28Å; L43-A311 WeakPolarHBondContact CD1-O 3.3Å; A307-A311 WeakPolarHBondContact O-CB 3.47Å; A307-A311 PolarHBondContact O-N 3.37Å; C309-A311 VanDerWaalsContact C-N 3.3Å; C309-A311 PolarHBondContact O-N 2.66Å; A311-T314 WeakPolarHBondContact O-CB 3.4Å; A311-T314 PolarHBondContact O-N 3.02Å; A311-A315 PolarHBondContact O-N 2.83Å; A311-A315 VanDerWaalsContact O-N 3.14Å
312Y98.9Very high98.1Very high6 Ų625.4 Ų25.42%0.02412%0.119CC..Hα-helixtrans-62.4-44.1175177.3-114.4000111.7I276 R284 R308 C309 T314 A315 V316 E321 I324 L343 H344I276-Y312 HydrophobicContact CG2-CD1 3.55Å; I276-Y312 HydrophobicContact CG2-CE1 4.44Å; I276-Y312 HydrophobicContact CG2-CG 3.8Å; I276-Y312 WeakPolarHBondContact O-CD1 3.26Å; R284-Y312 PolarHBondContact NH2-OH 3.1Å; R308-Y312 WeakPolarHBondContact O-CB 3.45Å; R308-Y312 PolarHBondContact O-N 3Å; C309-Y312 WeakPolarHBondContact O-CB 3.48Å; C309-Y312 PolarHBondContact O-N 3.33Å; C309-Y312 VanDerWaalsContact O-N 3.11Å; Y312-T314 VanDerWaalsContact C-N 3.31Å; Y312-T314 PolarHBondContact O-N 3.02Å; Y312-A315 CarbonylContact O-C 3.32Å; Y312-A315 WeakPolarHBondContact O-CA 3.23Å; Y312-A315 VanDerWaalsContact O-CB 3.24Å; Y312-A315 WeakPolarHBondContact O-CB 3.49Å; Y312-A315 PolarHBondContact O-N 2.89Å; Y312-V316 HydrophobicContact CD1-CG2 4.15Å; Y312-V316 HydrophobicContact CE1-CG2 3.83Å; Y312-V316 HydrophobicContact CE2-CG2 4.44Å; Y312-V316 WeakPolarHBondContact O-CG2 3.34Å; Y312-V316 PolarHBondContact O-N 2.87Å; Y312-E321 HydrophobicContact CE2-CB 4.03Å; Y312-I324 HydrophobicContact CD2-CG2 4.38Å; Y312-L343 HydrophobicContact CD2-CD2 4Å; Y312-H344 AromaticContact CD1-CE1 3.84Å; Y312-H344 AromaticContact CD2-CE1 3.37Å; Y312-H344 WeakPolarHBondContact CD2-CE1 3.48Å; Y312-H344 AromaticContact CD2-NE2 3.55Å; Y312-H344 AromaticContact CE1-CE1 3.95Å; Y312-H344 AromaticContact CE2-CE1 3.52Å; Y312-H344 AromaticContact CE2-NE2 3.57Å; Y312-H344 AromaticContact CG-CE1 3.54Å; Y312-H344 AromaticContact CZ-CE1 3.81Å
313E98.9Very high98Very high0 Ų030.3 Ų30.30%014%0.141CC..Hα-helixtrans-65.5-34.2177.7-70.3-179.5154.100112.8W132 H279 V283 C309 A315 V316 L317W132-E313 HydrophobicContact CH2-CB 3.75Å; W132-E313 WeakPolarHBondContact CH2-OE2 3.19Å; W132-E313 HydrophobicContact CZ2-CB 4.12Å; H279-E313 IonicContact CE1-OE1 2.69Å; H279-E313 PolarHBondContact CE1-OE1 3.03Å; H279-E313 IonicContact CG-OE1 2.67Å; H279-E313 IonicContact ND1-OE1 2.72Å; H279-E313 PolarHBondContact ND1-OE1 2.96Å; V283-E313 HydrophobicContact CB-CG 4.5Å; V283-E313 HydrophobicContact CG2-CB 4.47Å; V283-E313 HydrophobicContact CG2-CG 3.89Å; V283-E313 WeakPolarHBondContact CG2-OE1 3.15Å; C309-E313 WeakPolarHBondContact O-CG 3.42Å; C309-E313 PolarHBondContact O-N 2.88Å; E313-A315 VanDerWaalsContact C-N 3.26Å; E313-A315 PolarHBondContact O-N 2.7Å; E313-V316 WeakPolarHBondContact O-CB 3.38Å; E313-V316 PolarHBondContact O-N 2.88Å; E313-L317 WeakPolarHBondContact O-CB 3.47Å; E313-L317 VanDerWaalsContact O-CG 3.23Å; E313-L317 WeakPolarHBondContact O-CG 3.42Å; E313-L317 PolarHBondContact O-N 2.88Å
314T98.9Very high98Very high0 Ų030 Ų300%014%0.137CC..Hα-helixtrans-58.3-42.7168.6-57.10000110.1V38 L43 M47 I130 W132 W310 A311 Y312 L317 L318V38-T314 HydrophobicContact CG1-CG2 4.15Å; V38-T314 HydrophobicContact CG2-CG2 4.19Å; L43-T314 HydrophobicContact CB-CG2 4.27Å; L43-T314 HydrophobicContact CD1-CG2 3.9Å; M47-T314 HydrophobicContact CE-CG2 3.85Å; M47-T314 HydrophobicContact SD-CG2 4.13Å; I130-T314 HydrophobicContact CD1-CG2 4.37Å; W132-T314 WeakPolarHBondContact CZ2-OG1 3.35Å; W132-T314 PolarHBondContact NE1-OG1 3.26Å; W310-T314 WeakPolarHBondContact O-CB 3.41Å; W310-T314 PolarHBondContact O-N 3.39Å; W310-T314 PolarHBondContact O-OG1 3.09Å; A311-T314 WeakPolarHBondContact O-CB 3.4Å; A311-T314 PolarHBondContact O-N 3.02Å; Y312-T314 VanDerWaalsContact C-N 3.31Å; Y312-T314 PolarHBondContact O-N 3.02Å; T314-L317 PolarHBondContact O-N 3.46Å; T314-L318 HydrophobicContact CG2-CD1 3.86Å; T314-L318 WeakPolarHBondContact O-CB 3.43Å; T314-L318 WeakPolarHBondContact O-CD1 3.3Å; T314-L318 VanDerWaalsContact O-CG 3.22Å; T314-L318 WeakPolarHBondContact O-CG 3.12Å; T314-L318 PolarHBondContact O-N 2.94Å; T314-L318 VanDerWaalsContact O-N 3.08Å
315A98.6Very high98Very high0 Ų028.1 Ų28.10%014%0.14CC..Hα-helixtrans-64.9-39.5174.400000112.6L43 A311 Y312 E313 L317 L318 D319 Q320 E321 I324L43-A315 HydrophobicContact CD1-CB 4.06Å; L43-A315 HydrophobicContact CD2-CB 3.95Å; A311-A315 PolarHBondContact O-N 2.83Å; A311-A315 VanDerWaalsContact O-N 3.14Å; Y312-A315 CarbonylContact O-C 3.32Å; Y312-A315 WeakPolarHBondContact O-CA 3.23Å; Y312-A315 VanDerWaalsContact O-CB 3.24Å; Y312-A315 WeakPolarHBondContact O-CB 3.49Å; Y312-A315 PolarHBondContact O-N 2.89Å; E313-A315 VanDerWaalsContact C-N 3.26Å; E313-A315 PolarHBondContact O-N 2.7Å; A315-L317 PolarHBondContact O-N 2.84Å; A315-L318 CarbonylContact O-C 3.55Å; A315-L318 PolarHBondContact O-N 3.16Å; A315-D319 PolarHBondContact O-N 2.84Å; A315-D319 VanDerWaalsContact O-N 3.14Å; A315-Q320 HydrophobicContact CB-CB 4.21Å; A315-Q320 PolarHBondContact O-N 2.96Å; A315-E321 PolarHBondContact O-N 2.79Å; A315-I324 HydrophobicContact CB-CB 4.28Å; A315-I324 HydrophobicContact CB-CD1 3.77Å; A315-I324 HydrophobicContact CB-CG2 4.12Å
316V98.6Very high98Very high2 Ų230.9 Ų30.91%0.01216%0.155CC..Hα-helixtrans-58.2-48.5173177.70000110.8V283 R284 K287 Y312 E313 L318 D319 E321V283-V316 HydrophobicContact CB-CG1 4.48Å; V283-V316 HydrophobicContact CG1-CG1 4.29Å; R284-V316 HydrophobicContact CB-CG1 3.64Å; R284-V316 HydrophobicContact CG-CG1 4.2Å; K287-V316 PolarHBondContact NZ-O 3.39Å; Y312-V316 HydrophobicContact CD1-CG2 4.15Å; Y312-V316 HydrophobicContact CE1-CG2 3.83Å; Y312-V316 HydrophobicContact CE2-CG2 4.44Å; Y312-V316 WeakPolarHBondContact O-CG2 3.34Å; Y312-V316 PolarHBondContact O-N 2.87Å; E313-V316 WeakPolarHBondContact O-CB 3.38Å; E313-V316 PolarHBondContact O-N 2.88Å; V316-L318 PolarHBondContact O-N 3.07Å; V316-D319 PolarHBondContact O-N 2.92Å; V316-D319 VanDerWaalsContact O-N 3.1Å; V316-E321 HydrophobicContact CG2-CB 4.11Å; V316-E321 WeakPolarHBondContact CG2-OE2 3.39Å
317L98.7Very high97.9Very high1 Ų137.9 Ų37.91%0.00519%0.187CC..Hα-helixtrans-63.6-25.3179.8-67.2166.3000112.6I128 I130 W132 V283 K287 L293 V295 E313 T314 A315I128-L317 HydrophobicContact CD1-CD2 4.35Å; I128-L317 HydrophobicContact CG2-CD2 4.09Å; I130-L317 HydrophobicContact CD1-CB 4.23Å; I130-L317 HydrophobicContact CD1-CD1 3.56Å; I130-L317 HydrophobicContact CG1-CD1 3.85Å; W132-L317 HydrophobicContact CH2-CD1 4.44Å; W132-L317 HydrophobicContact CZ2-CD1 4.39Å; V283-L317 HydrophobicContact CG1-CD1 4.39Å; V283-L317 HydrophobicContact CG1-CD2 3.71Å; V283-L317 HydrophobicContact CG1-CG 3.9Å; K287-L317 HydrophobicContact CB-CD2 4.43Å; K287-L317 WeakPolarHBondContact CE-O 3.48Å; K287-L317 HydrophobicContact CG-CD2 4.4Å; K287-L317 PolarHBondContact NZ-O 3.09Å; K287-L317 VanDerWaalsContact NZ-O 3.12Å; L293-L317 HydrophobicContact CD2-CD2 3.94Å; V295-L317 HydrophobicContact CB-CD1 4.19Å; V295-L317 HydrophobicContact CG1-CD1 4.18Å; V295-L317 HydrophobicContact CG2-CD1 3.8Å; V295-L317 HydrophobicContact CG2-CD2 3.92Å; E313-L317 WeakPolarHBondContact O-CB 3.47Å; E313-L317 VanDerWaalsContact O-CG 3.23Å; E313-L317 WeakPolarHBondContact O-CG 3.42Å; E313-L317 PolarHBondContact O-N 2.88Å; T314-L317 PolarHBondContact O-N 3.46Å; A315-L317 PolarHBondContact O-N 2.84Å
318L98.1Very high97.9Very high16 Ų1638.7 Ų38.78%0.08419%0.192CC..THydrogen-bonded Turntrans-95.74.7177-63.8167.2000114.6V7 L43 R46 M47 T314 A315 V316 Q320V7-L318 HydrophobicContact CB-CD2 3.77Å; V7-L318 HydrophobicContact CG1-CD2 3.98Å; V7-L318 HydrophobicContact CG2-CD2 3.75Å; L43-L318 HydrophobicContact CB-CD1 3.8Å; L43-L318 HydrophobicContact CD2-CD1 4.28Å; L43-L318 WeakPolarHBondContact O-CD1 3.47Å; R46-L318 HydrophobicContact CB-CD1 4.24Å; R46-L318 HydrophobicContact CB-CD2 3.98Å; R46-L318 HydrophobicContact CB-CG 4.48Å; M47-L318 HydrophobicContact CB-CD2 3.87Å; M47-L318 HydrophobicContact CG-CD1 4.49Å; M47-L318 HydrophobicContact CG-CD2 4.41Å; M47-L318 HydrophobicContact SD-CD1 4.09Å; M47-L318 HydrophobicContact SD-CD2 4.42Å; T314-L318 HydrophobicContact CG2-CD1 3.86Å; T314-L318 WeakPolarHBondContact O-CB 3.43Å; T314-L318 WeakPolarHBondContact O-CD1 3.3Å; T314-L318 VanDerWaalsContact O-CG 3.22Å; T314-L318 WeakPolarHBondContact O-CG 3.12Å; T314-L318 PolarHBondContact O-N 2.94Å; T314-L318 VanDerWaalsContact O-N 3.08Å; A315-L318 CarbonylContact O-C 3.55Å; A315-L318 PolarHBondContact O-N 3.16Å; V316-L318 PolarHBondContact O-N 3.07Å; L318-Q320 HydrophobicContact CB-CB 4.48Å; L318-Q320 HydrophobicContact CB-CG 3.94Å; L318-Q320 PolarHBondContact O-N 3.12Å
319D97.3Very high97.8Very high105 Ų10540 Ų4056%0.56120%0.2SC*.THydrogen-bonded Turntrans55.936.1-172.5-61.5-62000112.5K287 A315 V316K287-D319 IonicContact NZ-OD1 3.09Å; K287-D319 PolarHBondContact NZ-OD1 2.85Å; K287-D319 IonicContact NZ-OD2 2.61Å; K287-D319 PolarHBondContact NZ-OD2 3.35Å; A315-D319 PolarHBondContact O-N 2.84Å; A315-D319 VanDerWaalsContact O-N 3.14Å; V316-D319 PolarHBondContact O-N 2.92Å; V316-D319 VanDerWaalsContact O-N 3.1Å
320Q97.6Very high97.6Very high35 Ų3549 Ų4916%0.16424%0.235CC..  trans-113.98.4179.7-62-58.8-89.600113.2L43 R46 A315 L318 K322 E323 I324L43-Q320 HydrophobicContact CD2-CB 4.12Å; L43-Q320 HydrophobicContact CD2-CG 4.45Å; R46-Q320 HydrophobicContact CG-CG 4.37Å; A315-Q320 HydrophobicContact CB-CB 4.21Å; A315-Q320 PolarHBondContact O-N 2.96Å; L318-Q320 HydrophobicContact CB-CB 4.48Å; L318-Q320 HydrophobicContact CB-CG 3.94Å; L318-Q320 PolarHBondContact O-N 3.12Å; Q320-K322 PolarHBondContact O-N 2.92Å; Q320-E323 WeakPolarHBondContact CA-OE2 3.43Å; Q320-E323 PolarHBondContact O-N 3.04Å; Q320-I324 WeakPolarHBondContact O-CB 3.37Å; Q320-I324 PolarHBondContact O-N 3.24Å
321E96.6Very high97.4Very high36 Ų3649 Ų4917%0.16824%0.236CC..THydrogen-bonded Turntrans-64.9-20.3-175.666.4179.1-167.700115R284 Y312 A315 V316R284-E321 IonicContact CZ-OE1 3.84Å; R284-E321 IonicContact CZ-OE2 3.48Å; R284-E321 IonicContact NE-OE1 3.95Å; R284-E321 PolarHBondContact NE-OE1 3.2Å; R284-E321 IonicContact NE-OE2 3.93Å; R284-E321 PolarHBondContact NE-OE2 3.11Å; R284-E321 VanDerWaalsContact NH2-CD 3.32Å; R284-E321 IonicContact NH2-OE1 3.73Å; R284-E321 PolarHBondContact NH2-OE1 2.85Å; R284-E321 IonicContact NH2-OE2 2.83Å; R284-E321 PolarHBondContact NH2-OE2 3.49Å; Y312-E321 HydrophobicContact CE2-CB 4.03Å; A315-E321 PolarHBondContact O-N 2.79Å; V316-E321 HydrophobicContact CG2-CB 4.11Å; V316-E321 WeakPolarHBondContact CG2-OE2 3.39Å
322K95.5Very high97.1Very high178 Ų17854.5 Ų54.577%0.77427%0.271SS*.THydrogen-bonded Turntrans-92.1-21.1178.3-64.6-179.2-177.2170.70111.4Q320Q320-K322 PolarHBondContact O-N 2.92Å
323E95.1Very high96.9Very high120 Ų12058.1 Ų58.156%0.56129%0.285SS*.THydrogen-bonded Turntrans-95.4-30.3-174.8-63.870.8-161.700111.7Q320 S325Q320-E323 WeakPolarHBondContact CA-OE2 3.43Å; Q320-E323 PolarHBondContact O-N 3.04Å; E323-S325 PolarHBondContact O-N 3.45Å
324I96.8Very high96.7Very high24 Ų2459 Ų5912%0.12329%0.29CS..SBendtrans-65.5130.1179.2-165.4168.6000111.3Y41 L43 Y312 A315 Q320 L343Y41-I324 HydrophobicContact CD1-CD1 3.7Å; Y41-I324 HydrophobicContact CD1-CG1 3.37Å; Y41-I324 HydrophobicContact CD2-CD1 3.83Å; Y41-I324 HydrophobicContact CD2-CG1 4.41Å; Y41-I324 HydrophobicContact CE1-CD1 3.97Å; Y41-I324 HydrophobicContact CE1-CG1 3.49Å; Y41-I324 VanDerWaalsContact CE1-CG1 3.49Å; Y41-I324 HydrophobicContact CE2-CD1 4.11Å; Y41-I324 HydrophobicContact CG-CD1 3.61Å; Y41-I324 HydrophobicContact CG-CG1 3.86Å; L43-I324 HydrophobicContact CD1-CD1 4.25Å; L43-I324 HydrophobicContact CD2-CD1 4.48Å; Y312-I324 HydrophobicContact CD2-CG2 4.38Å; A315-I324 HydrophobicContact CB-CB 4.28Å; A315-I324 HydrophobicContact CB-CD1 3.77Å; A315-I324 HydrophobicContact CB-CG2 4.12Å; Q320-I324 WeakPolarHBondContact O-CB 3.37Å; Q320-I324 PolarHBondContact O-N 3.24Å; I324-L343 HydrophobicContact CD1-CD2 3.84Å; I324-L343 HydrophobicContact CG1-CD2 4.1Å; I324-L343 HydrophobicContact CG2-CD2 4.15Å
325S97.3Very high96.6Very high60 Ų6065.1 Ų65.142%0.4232%0.318SS..  trans-68.6143178.7-175.40000111.3Y41 E323 E327Y41-S325 WeakPolarHBondContact CE1-O 3.2Å; Y41-S325 PolarHBondContact OH-O 3.32Å; Y41-S325 VanDerWaalsContact OH-O 3.08Å; E323-S325 PolarHBondContact O-N 3.45Å; S325-E327 PolarHBondContact O-N 2.71Å; S325-E327 PolarHBondContact OG-N 2.93Å
326N98Very high96.6Very high64 Ų6469.9 Ų69.934%0.34234%0.339SS..SBendtrans-73.1-16.8168.3-169.847.4000112.4T342 L343 H344N326-T342 CarbonylContact O-C 3.4Å; N326-T342 WeakPolarHBondContact O-CA 3.44Å; N326-T342 WeakPolarHBondContact O-CB 3.46Å; N326-L343 PolarHBondContact O-N 3.12Å; N326-H344 WeakPolarHBondContact OD1-CB 3.32Å; N326-H344 PolarHBondContact OD1-CD2 3.42Å; N326-H344 PolarHBondContact OD1-N 2.89Å
327E97.7Very high96.5Very high148 Ų14869.8 Ų69.869%0.69234%0.339SS*.BIsolated β-bridgetrans-78132.7170.7-65178178.600109.2Y41 S325Y41-E327 PolarHBondContact OH-O 2.7Å; S325-E327 PolarHBondContact O-N 2.71Å; S325-E327 PolarHBondContact OG-N 2.93Å
328L97.8Very high96.3Very high17 Ų1776.8 Ų76.89%0.08937%0.366CS..PPolyproline II helixtrans-71133.9175.6-66-179.5000109.9L37 Y41 R308 I334 F337 Y341 L343L37-L328 HydrophobicContact CD1-CD2 4.37Å; L37-L328 HydrophobicContact CD2-CD2 4Å; Y41-L328 HydrophobicContact CE2-CD2 4.19Å; Y41-L328 WeakPolarHBondContact OH-CA 3.24Å; Y41-L328 WeakPolarHBondContact OH-CD2 3.44Å; R308-L328 HydrophobicContact CG-CD2 4.5Å; L328-I334 HydrophobicContact CB-CD1 3.91Å; L328-I334 HydrophobicContact CD1-CD1 4.43Å; L328-F337 HydrophobicContact CD1-CB 3.45Å; L328-F337 VanDerWaalsContact CD1-CB 3.45Å; L328-F337 HydrophobicContact CD1-CD1 3.6Å; L328-F337 HydrophobicContact CD1-CD2 4.02Å; L328-F337 HydrophobicContact CD1-CE1 4.35Å; L328-F337 HydrophobicContact CD1-CG 3.4Å; L328-Y341 PolarHBondContact N-O 3.17Å; L328-L343 HydrophobicContact CD2-CB 4.18Å; L328-L343 HydrophobicContact CD2-CD1 4.19Å
329P96.5Very high96.1Very high29 Ų2979.1 Ų79.119%0.18838%0.382CS..PPolyproline II helixtrans-68147.3175.230.7-36.6000110.2N40 Y41 S331N40-P329 HydrophobicContact CB-CB 3.82Å; N40-P329 HydrophobicContact CB-CG 3.51Å; Y41-P329 HydrophobicContact CD1-CG 4.21Å; Y41-P329 HydrophobicContact CD2-CG 4.06Å; Y41-P329 HydrophobicContact CE1-CG 4.29Å; Y41-P329 VanDerWaalsContact CE2-CD 3.49Å; Y41-P329 HydrophobicContact CE2-CG 4.12Å; Y41-P329 HydrophobicContact CG-CG 4.11Å; P329-S331 PolarHBondContact O-N 3.06Å
330Y95Very high95.9Very high188 Ų18877.6 Ų77.674%0.73737%0.374SS*.PPolyproline II helixtrans-60.4135.1175.9179.6-97.9000110.7I334Y330-I334 HydrophobicContact CD2-CG2 4.17Å; Y330-I334 HydrophobicContact CE2-CG2 4.06Å
331S93.9Very high95.8Very high1 Ų180.4 Ų80.41%0.00738%0.384CS..  trans-150.7163.8171.871.70000109.6T36 P329 Y333 I334T36-S331 VanDerWaalsContact CG2-CB 3.43Å; T36-S331 WeakPolarHBondContact CG2-OG 3.41Å; P329-S331 PolarHBondContact O-N 3.06Å; S331-Y333 PolarHBondContact O-N 3.16Å; S331-Y333 PolarHBondContact OG-N 3.41Å; S331-I334 WeakPolarHBondContact O-CB 3.48Å; S331-I334 WeakPolarHBondContact O-CG2 3.44Å; S331-I334 PolarHBondContact O-N 3.34Å; S331-I334 PolarHBondContact OG-N 2.96Å
332P93Very high95.9Very high115 Ų11580.6 Ų80.675%0.74739%0.387SS*.THydrogen-bonded Turntrans-57.3-18.5173.4-25.935.8000114.2
333Y94.8Very high96Very high81 Ų8172.1 Ų72.132%0.31835%0.351SS..THydrogen-bonded Turntrans-1008.9179.2-61.3-76.6000113.6H29 T32 L33 T36 S331 E335 F336H29-Y333 AromaticContact CE1-CE1 3.73Å; H29-Y333 AromaticContact NE2-CE1 4Å; T32-Y333 HydrophobicContact CG2-CE2 4.01Å; L33-Y333 VanDerWaalsContact CD2-CB 3.5Å; L33-Y333 HydrophobicContact CD2-CD1 3.74Å; L33-Y333 HydrophobicContact CD2-CD2 4.41Å; L33-Y333 HydrophobicContact CD2-CG 3.64Å; T36-Y333 HydrophobicContact CG2-CD2 3.92Å; T36-Y333 WeakPolarHBondContact OG1-CD2 3.3Å; S331-Y333 PolarHBondContact O-N 3.16Å; S331-Y333 PolarHBondContact OG-N 3.41Å; Y333-E335 PolarHBondContact O-N 2.71Å; Y333-E335 VanDerWaalsContact O-N 3.09Å; Y333-F336 HydrophobicContact CD1-CD2 4.09Å; Y333-F336 AromaticContact CD1-CE2 3.81Å; Y333-F336 HydrophobicContact CD1-CE2 3.81Å; Y333-F336 WeakPolarHBondContact O-CB 3.24Å; Y333-F336 PolarHBondContact O-N 3.08Å
334I96Very high96.1Very high19 Ų1967.8 Ų67.810%0.09733%0.331CS..G310 helixtrans-56.6-30.8-174.2-167.458.9000113.3L328 Y330 S331 F336 F337 Y341L328-I334 HydrophobicContact CB-CD1 3.91Å; L328-I334 HydrophobicContact CD1-CD1 4.43Å; Y330-I334 HydrophobicContact CD2-CG2 4.17Å; Y330-I334 HydrophobicContact CE2-CG2 4.06Å; S331-I334 WeakPolarHBondContact O-CB 3.48Å; S331-I334 WeakPolarHBondContact O-CG2 3.44Å; S331-I334 PolarHBondContact O-N 3.34Å; S331-I334 PolarHBondContact OG-N 2.96Å; I334-F336 PolarHBondContact O-N 3.21Å; I334-F337 WeakPolarHBondContact O-CB 3.32Å; I334-F337 PolarHBondContact O-N 3.23Å; I334-Y341 HydrophobicContact CD1-CD1 4.03Å; I334-Y341 HydrophobicContact CG1-CD1 3.87Å; I334-Y341 HydrophobicContact CG1-CE1 4.14Å
335E96.7Very high96.2Very high128 Ų12867.3 Ų67.360%0.59833%0.329SS*.G310 helixtrans-65.2-22.8179.3-62.5-57.3159.100113.9Y333 F337 Y338 Y341Y333-E335 PolarHBondContact O-N 2.71Å; Y333-E335 VanDerWaalsContact O-N 3.09Å; E335-F337 PolarHBondContact O-N 2.92Å; E335-F337 VanDerWaalsContact O-N 3.12Å; E335-Y338 PolarHBondContact O-N 3.35Å; E335-Y341 PolarHBondContact OE2-OH 3.42Å
336F96.6Very high96.1Very high100 Ų10070.5 Ų70.544%0.43934%0.341SS..G310 helixtrans-62.9-18.6173.6-79.9-96.3000112.8H29 L33 R304 Y333 I334H29-F336 AromaticContact CD2-CE1 3.83Å; H29-F336 AromaticContact CD2-CZ 3.98Å; H29-F336 AromaticContact NE2-CE1 3.81Å; H29-F336 AromaticContact NE2-CE2 4Å; H29-F336 AromaticContact NE2-CZ 3.5Å; H29-F336 WeakPolarHBondContact NE2-CZ 3.47Å; L33-F336 HydrophobicContact CD1-CB 3.83Å; L33-F336 HydrophobicContact CD1-CD1 3.81Å; L33-F336 HydrophobicContact CD1-CG 3.86Å; L33-F336 HydrophobicContact CD2-CB 4.44Å; L33-F336 HydrophobicContact CD2-CD2 4.18Å; L33-F336 HydrophobicContact CD2-CG 4.15Å; R304-F336 WeakPolarHBondContact CB-O 3.14Å; Y333-F336 HydrophobicContact CD1-CD2 4.09Å; Y333-F336 AromaticContact CD1-CE2 3.81Å; Y333-F336 HydrophobicContact CD1-CE2 3.81Å; Y333-F336 WeakPolarHBondContact O-CB 3.24Å; Y333-F336 PolarHBondContact O-N 3.08Å; I334-F336 PolarHBondContact O-N 3.21Å
337F97.4Very high96Very high1 Ų168 Ų680%0.00433%0.328CS..G310 helixtrans-97-1-176.3-59.6-82.3000113.5L33 L37 R304 A307 R308 L328 I334 E335 D340L33-F337 HydrophobicContact CB-CZ 4.33Å; L37-F337 HydrophobicContact CD1-CE1 3.79Å; L37-F337 HydrophobicContact CD1-CZ 3.65Å; L37-F337 HydrophobicContact CD2-CE2 4.25Å; L37-F337 HydrophobicContact CD2-CZ 4.06Å; L37-F337 HydrophobicContact CG-CE1 4.49Å; L37-F337 HydrophobicContact CG-CE2 4.47Å; L37-F337 HydrophobicContact CG-CZ 3.88Å; R304-F337 HydrophobicContact CB-CD1 3.95Å; R304-F337 HydrophobicContact CB-CE1 4.2Å; A307-F337 HydrophobicContact CB-CE1 4.06Å; A307-F337 HydrophobicContact CB-CZ 4.08Å; R308-F337 HydrophobicContact CG-CD1 4.13Å; R308-F337 HydrophobicContact CG-CE1 4.05Å; R308-F337 PolarHBondContact NH2-O 3.35Å; L328-F337 HydrophobicContact CD1-CB 3.45Å; L328-F337 VanDerWaalsContact CD1-CB 3.45Å; L328-F337 HydrophobicContact CD1-CD1 3.6Å; L328-F337 HydrophobicContact CD1-CD2 4.02Å; L328-F337 HydrophobicContact CD1-CE1 4.35Å; L328-F337 HydrophobicContact CD1-CG 3.4Å; I334-F337 WeakPolarHBondContact O-CB 3.32Å; I334-F337 PolarHBondContact O-N 3.23Å; E335-F337 PolarHBondContact O-N 2.92Å; E335-F337 VanDerWaalsContact O-N 3.12Å; F337-D340 CarbonylContact O-C 3.29Å; F337-D340 VanDerWaalsContact O-C 3.32Å; F337-D340 PolarHBondContact O-N 2.86Å; F337-D340 VanDerWaalsContact O-N 3.16Å
338Y94.6Very high95.5Very high148 Ų14866.1 Ų66.158%0.5833%0.326SS*.  trans-53.7143.9173.6178.5-86.6000112.3R304 E335 Y341R304-Y338 PolarHBondContact NH1-O 2.82Å; E335-Y338 PolarHBondContact O-N 3.35Å; Y338-Y341 HydrophobicContact CD2-CE2 4.42Å; Y338-Y341 WeakPolarHBondContact CD2-OH 3.19Å
339P94.4Very high95Very high65 Ų6567 Ų6742%0.42233%0.332SS..SBendcis-83.5-14.8-4.434.1-34.3000113.6Y341P339-Y341 WeakPolarHBondContact O-CD2 3.02Å; P339-Y341 PolarHBondContact O-N 3.42Å
340D91.5Very high94.5Very high72 Ų7275.4 Ų75.439%0.38537%0.366SS..  trans-90.193-170.4-52.2-66.4000110.6R308 F337 T342 P345R308-D340 PolarHBondContact NH2-O 3.5Å; F337-D340 CarbonylContact O-C 3.29Å; F337-D340 VanDerWaalsContact O-C 3.32Å; F337-D340 PolarHBondContact O-N 2.86Å; F337-D340 VanDerWaalsContact O-N 3.16Å; D340-T342 PolarHBondContact O-N 2.72Å; D340-P345 HydrophobicContact CB-CB 3.96Å
341Y96.4Very high94.2Very high94 Ų9470 Ų7037%0.36935%0.35SS..  trans-77.137.6177.5-56.5-76.3000113.3L328 I334 E335 Y338 P339L328-Y341 PolarHBondContact N-O 3.17Å; I334-Y341 HydrophobicContact CD1-CD1 4.03Å; I334-Y341 HydrophobicContact CG1-CD1 3.87Å; I334-Y341 HydrophobicContact CG1-CE1 4.14Å; E335-Y341 PolarHBondContact OE2-OH 3.42Å; Y338-Y341 HydrophobicContact CD2-CE2 4.42Å; Y338-Y341 WeakPolarHBondContact CD2-OH 3.19Å; P339-Y341 WeakPolarHBondContact O-CD2 3.02Å; P339-Y341 PolarHBondContact O-N 3.42Å
342T98.1Very high94.3Very high40 Ų4076.9 Ų76.925%0.24539%0.386CS..BIsolated β-bridgetrans-118.5154.3-17862.60000112.4R308 N326 D340R308-T342 WeakPolarHBondContact CD-O 3.48Å; R308-T342 PolarHBondContact NE-O 2.65Å; N326-T342 CarbonylContact O-C 3.4Å; N326-T342 WeakPolarHBondContact O-CA 3.44Å; N326-T342 WeakPolarHBondContact O-CB 3.46Å; D340-T342 PolarHBondContact O-N 2.72Å
343L98.3Very high94.5Very high0 Ų073.6 Ų73.60%036%0.363CS..SBendtrans-71.5-35.9174.6-172.360.5000111.5Y41 I276 R308 Y312 I324 N326 L328 P345Y41-L343 HydrophobicContact CE2-CD1 4.06Å; I276-L343 WeakPolarHBondContact CD1-O 3.38Å; R308-L343 HydrophobicContact CB-CD1 4.14Å; R308-L343 WeakPolarHBondContact O-CD1 3.39Å; Y312-L343 HydrophobicContact CD2-CD2 4Å; I324-L343 HydrophobicContact CD1-CD2 3.84Å; I324-L343 HydrophobicContact CG1-CD2 4.1Å; I324-L343 HydrophobicContact CG2-CD2 4.15Å; N326-L343 PolarHBondContact O-N 3.12Å; L328-L343 HydrophobicContact CD2-CB 4.18Å; L328-L343 HydrophobicContact CD2-CD1 4.19Å; L343-P345 VanDerWaalsContact C-CD 3.43Å; L343-P345 VanDerWaalsContact O-CD 3.24Å; L343-P345 WeakPolarHBondContact O-CD 3.49Å
344H98Very high94.7Very high30 Ų3071.8 Ų71.814%0.13936%0.364CS..SBendtrans-11776.9179.3-55.3-70.9000110.6R277 Y312 N326R277-H344 VanDerWaalsContact CZ-NE2 3.35Å; R277-H344 PolarHBondContact NH1-NE2 3.36Å; R277-H344 PolarHBondContact NH2-CD2 3.1Å; R277-H344 PolarHBondContact NH2-NE2 3.11Å; Y312-H344 AromaticContact CD1-CE1 3.84Å; Y312-H344 AromaticContact CD2-CE1 3.37Å; Y312-H344 WeakPolarHBondContact CD2-CE1 3.48Å; Y312-H344 AromaticContact CD2-NE2 3.55Å; Y312-H344 AromaticContact CE1-CE1 3.95Å; Y312-H344 AromaticContact CE2-CE1 3.52Å; Y312-H344 AromaticContact CE2-NE2 3.57Å; Y312-H344 AromaticContact CG-CE1 3.54Å; Y312-H344 AromaticContact CZ-CE1 3.81Å; N326-H344 WeakPolarHBondContact OD1-CB 3.32Å; N326-H344 PolarHBondContact OD1-CD2 3.42Å; N326-H344 PolarHBondContact OD1-N 2.89Å
345P97.2Very high94.8Very high14 Ų1471 Ų719%0.09136%0.36CS..  trans-65.7162.216931.4-38.3000110.9D340 L343 L347D340-P345 HydrophobicContact CB-CB 3.96Å; L343-P345 VanDerWaalsContact C-CD 3.43Å; L343-P345 VanDerWaalsContact O-CD 3.24Å; L343-P345 WeakPolarHBondContact O-CD 3.49Å; P345-L347 HydrophobicContact CB-CD2 4.45Å; P345-L347 HydrophobicContact CG-CD2 3.86Å; P345-L347 HydrophobicContact CG-CG 4.27Å; P345-L347 PolarHBondContact O-N 2.94Å
346D95.7Very high94.9Very high127 Ų12768.3 Ų68.368%0.67935%0.353SS*.  trans-71.4114.6169.5-173.77.1000109.6T348D346-T348 WeakPolarHBondContact OD1-CB 3.45Å; D346-T348 PolarHBondContact OD1-N 2.83Å; D346-T348 PolarHBondContact OD1-OG1 2.87Å
347L95.7Very high94.9Very high12 Ų1273.4 Ų73.46%0.06337%0.369CS..  trans-104.913.8178.3-59.9-173.6000112.1L264 G265 I276 N305 P345 T349L264-L347 HydrophobicContact CB-CD1 4.2Å; L264-L347 HydrophobicContact CD1-CD1 4.44Å; L264-L347 HydrophobicContact CD2-CD1 4.44Å; G265-L347 WeakPolarHBondContact CA-O 3.3Å; I276-L347 HydrophobicContact CD1-CD1 4.33Å; I276-L347 HydrophobicContact CG1-CD1 4.08Å; N305-L347 WeakPolarHBondContact ND2-CD2 3.34Å; P345-L347 HydrophobicContact CB-CD2 4.45Å; P345-L347 HydrophobicContact CG-CD2 3.86Å; P345-L347 HydrophobicContact CG-CG 4.27Å; P345-L347 PolarHBondContact O-N 2.94Å; L347-T349 PolarHBondContact O-N 2.89Å
348T88.7Confident94.9Very high107 Ų10780.3 Ų80.366%0.65640%0.401SS*.  trans-62.3125.5178.2-53.90000110.3D346D346-T348 WeakPolarHBondContact OD1-CB 3.45Å; D346-T348 PolarHBondContact OD1-N 2.83Å; D346-T348 PolarHBondContact OD1-OG1 2.87Å
349T86.9Confident95.1Very high35 Ų3575.9 Ų75.922%0.21538%0.384CS..  trans-101.9175.4175.387.50000111.4C266 N273 L347 L351C266-T349 VanDerWaalsContact N-CG2 3.34Å; N273-T349 WeakPolarHBondContact OD1-CB 3.28Å; N273-T349 VanDerWaalsContact OD1-CG2 3.24Å; N273-T349 WeakPolarHBondContact OD1-CG2 3.39Å; N273-T349 PolarHBondContact OD1-OG1 3.11Å; L347-T349 PolarHBondContact O-N 2.89Å; T349-L351 VanDerWaalsContact C-N 3.26Å; T349-L351 WeakPolarHBondContact OG1-CB 3.5Å; T349-L351 WeakPolarHBondContact OG1-CG 3.36Å; T349-L351 PolarHBondContact OG1-N 2.61Å
350K84.9Confident95.3Very high207 Ų20773.1 Ų73.190%0.937%0.365SS*.SBendtrans-83.61.3172.1-63.1-176.1-179179.20113.4D352K350-D352 PolarHBondContact O-N 2.83Å
351L90.6Very high95.6Very high75 Ų7573.6 Ų73.639%0.39337%0.365SS..  trans-74.6118.2-179.4-63.9173.9000109.2V271 N273 T349V271-L351 HydrophobicContact CB-CD1 4.19Å; N273-L351 PolarHBondContact ND2-O 2.98Å; T349-L351 VanDerWaalsContact C-N 3.26Å; T349-L351 WeakPolarHBondContact OG1-CB 3.5Å; T349-L351 WeakPolarHBondContact OG1-CG 3.36Å; T349-L351 PolarHBondContact OG1-N 2.61Å
352D95.1Very high95.7Very high144 Ų14471.5 Ų71.577%0.7737%0.368SS*.  trans-65.4142.1170.7-69.6-38000110.1K350 A354K350-D352 PolarHBondContact O-N 2.83Å; D352-A354 PolarHBondContact O-N 3.38Å
353N97.4Very high95.7Very high47 Ų4769.9 Ų69.925%0.25136%0.357SS..  trans-69.2103.6176.1-172.3-10000110.1G229 D231 N355G229-N353 WeakPolarHBondContact O-CA 3.31Å; G229-N353 WeakPolarHBondContact O-CB 3.38Å; D231-N353 PolarHBondContact OD2-ND2 2.84Å; N353-N355 PolarHBondContact O-N 3.33Å; N353-N355 VanDerWaalsContact OD1-CB 3.23Å; N353-N355 WeakPolarHBondContact OD1-CB 3.42Å; N353-N355 PolarHBondContact OD1-N 3.49Å; N353-N355 PolarHBondContact OD1-ND2 3.48Å
354A98Very high95.6Very high42 Ų4274.1 Ų74.135%0.34737%0.373SS..  trans-76.8-3.4-17900000113.3K227 E228 D352K227-A354 HydrophobicContact CB-CB 3.86Å; K227-A354 HydrophobicContact CD-CB 4.33Å; K227-A354 WeakPolarHBondContact CD-O 3.32Å; E228-A354 HydrophobicContact CG-CB 4.14Å; E228-A354 WeakPolarHBondContact O-CB 3.34Å; E228-A354 PolarHBondContact O-N 3.05Å; D352-A354 PolarHBondContact O-N 3.38Å
355N98.3Very high95.6Very high4 Ų477.6 Ų77.62%0.02139%0.391CS..  trans-87.5110.2179-56.7-91.4000109.4K227 E228 I230 M234 N353 I360K227-N355 WeakPolarHBondContact CB-OD1 3.5Å; K227-N355 PolarHBondContact N-OD1 3.38Å; K227-N355 PolarHBondContact O-ND2 3.41Å; E228-N355 PolarHBondContact O-ND2 3.24Å; I230-N355 WeakPolarHBondContact CB-ND2 3.22Å; M234-N355 WeakPolarHBondContact CE-O 3.42Å; M234-N355 HydrophobicContact SD-CB 3.51Å; M234-N355 VanDerWaalsContact SD-CB 3.51Å; N353-N355 PolarHBondContact O-N 3.33Å; N353-N355 VanDerWaalsContact OD1-CB 3.23Å; N353-N355 WeakPolarHBondContact OD1-CB 3.42Å; N353-N355 PolarHBondContact OD1-N 3.49Å; N353-N355 PolarHBondContact OD1-ND2 3.48Å; N355-I360 HydrophobicContact CB-CD1 3.98Å; N355-I360 HydrophobicContact CB-CG1 4.09Å
356T98.1Very high95.6Very high71 Ų7179.3 Ų79.344%0.43640%0.401SS..  trans-80.4153.517466.50000110.3Q358 Y359 I360T356-Q358 PolarHBondContact O-N 3.25Å; T356-Y359 WeakPolarHBondContact O-CB 3.34Å; T356-Y359 PolarHBondContact O-N 3.14Å; T356-Y359 VanDerWaalsContact OG1-CB 3.31Å; T356-Y359 WeakPolarHBondContact OG1-CB 3.44Å; T356-Y359 PolarHBondContact OG1-N 3.42Å; T356-Y359 VanDerWaalsContact OG1-N 3.12Å; T356-I360 PolarHBondContact O-N 3.03Å
357R97.6Very high95.7Very high206 Ų20673.7 Ų73.778%0.77737%0.371SS*.Hα-helixtrans-55.6-37.8173.8-69.9-176.9179.2172.70.1112E361R357-E361 WeakPolarHBondContact O-CB 3.42Å; R357-E361 PolarHBondContact O-N 2.9Å
358Q98.2Very high95.8Very high146 Ų14675.9 Ų75.968%0.68238%0.381SS*.Hα-helixtrans-64.8-41.1177-63.181.7-200111.7T356 A362T356-Q358 PolarHBondContact O-N 3.25Å; Q358-A362 WeakPolarHBondContact O-CB 3.35Å; Q358-A362 PolarHBondContact O-N 3.38Å
359Y98.3Very high96.2Very high56 Ų5674.1 Ų74.122%0.2237%0.368CS..Hα-helixtrans-64.9-48177178.1-107.8000111.6P225 K227 T356 E361 A362 L363P225-Y359 PolarHBondContact O-OH 2.97Å; K227-Y359 HydrophobicContact CD-CD1 4.45Å; K227-Y359 HydrophobicContact CD-CE1 4.3Å; K227-Y359 HydrophobicContact CG-CE1 4.07Å; T356-Y359 WeakPolarHBondContact O-CB 3.34Å; T356-Y359 PolarHBondContact O-N 3.14Å; T356-Y359 VanDerWaalsContact OG1-CB 3.31Å; T356-Y359 WeakPolarHBondContact OG1-CB 3.44Å; T356-Y359 PolarHBondContact OG1-N 3.42Å; T356-Y359 VanDerWaalsContact OG1-N 3.12Å; Y359-E361 VanDerWaalsContact C-N 3.34Å; Y359-E361 PolarHBondContact O-N 3.07Å; Y359-A362 PolarHBondContact O-N 3Å; Y359-L363 HydrophobicContact CD1-CD1 4.03Å; Y359-L363 HydrophobicContact CE1-CD1 3.43Å; Y359-L363 VanDerWaalsContact CE1-CD1 3.43Å; Y359-L363 HydrophobicContact CE1-CG 4.14Å; Y359-L363 HydrophobicContact CE2-CD1 4.48Å; Y359-L363 HydrophobicContact CE2-CD2 4.49Å; Y359-L363 HydrophobicContact CE2-CG 4.37Å; Y359-L363 PolarHBondContact O-N 3.26Å
360I98.5Very high96.7Very high7 Ų774.5 Ų74.54%0.03637%0.369CS..Hα-helixtrans-61.2-43.4177.9-66.5-60000111.5L226 I230 M234 V238 N355 T356 A362 L363 R364L226-I360 HydrophobicContact CD2-CD1 3.73Å; I230-I360 HydrophobicContact CD1-CD1 4.22Å; M234-I360 HydrophobicContact CG-CD1 4.38Å; M234-I360 HydrophobicContact CG-CG1 3.85Å; M234-I360 HydrophobicContact SD-CD1 4.38Å; M234-I360 HydrophobicContact SD-CG1 3.68Å; V238-I360 HydrophobicContact CB-CG2 3.89Å; V238-I360 HydrophobicContact CG2-CG2 4.36Å; N355-I360 HydrophobicContact CB-CD1 3.98Å; N355-I360 HydrophobicContact CB-CG1 4.09Å; T356-I360 PolarHBondContact O-N 3.03Å; I360-A362 PolarHBondContact O-N 2.77Å; I360-L363 PolarHBondContact O-N 3.43Å; I360-R364 VanDerWaalsContact O-CG 3.31Å; I360-R364 WeakPolarHBondContact O-CG 3.46Å; I360-R364 PolarHBondContact O-N 3.47Å
361E98Very high97.3Very high82 Ų8264.7 Ų64.738%0.38333%0.326SS..Hα-helixtrans-65.4-39.7178-169.759.5-160.400111.9R357 Y359 R364 M365R357-E361 WeakPolarHBondContact O-CB 3.42Å; R357-E361 PolarHBondContact O-N 2.9Å; Y359-E361 VanDerWaalsContact C-N 3.34Å; Y359-E361 PolarHBondContact O-N 3.07Å; E361-R364 PolarHBondContact O-N 3.02Å; E361-R364 IonicContact OE1-NH1 2.66Å; E361-R364 IonicContact OE2-CZ 2.77Å; E361-R364 IonicContact OE2-NE 2.75Å; E361-R364 IonicContact OE2-NH1 3.51Å; E361-R364 PolarHBondContact OE2-NH1 3.34Å; E361-M365 HydrophobicContact CG-SD 4.45Å; E361-M365 VanDerWaalsContact O-CG 3.32Å; E361-M365 WeakPolarHBondContact O-CG 3.4Å; E361-M365 PolarHBondContact O-N 2.95Å
362A97.9Very high97.5Very high50 Ų5066.1 Ų66.141%0.41333%0.329SS..Hα-helixtrans-60.9-45.4174.600000111.9Q358 Y359 I360 R364 M365 T366Q358-A362 WeakPolarHBondContact O-CB 3.35Å; Q358-A362 PolarHBondContact O-N 3.38Å; Y359-A362 PolarHBondContact O-N 3Å; I360-A362 PolarHBondContact O-N 2.77Å; A362-R364 PolarHBondContact O-N 3.47Å; A362-M365 PolarHBondContact O-N 2.91Å; A362-T366 PolarHBondContact O-N 3.19Å; A362-T366 PolarHBondContact O-OG1 3.14Å; A362-T366 VanDerWaalsContact O-OG1 3.09Å
363L97.7Very high97.5Very high6 Ų664.2 Ų64.23%0.03132%0.315CS..Hα-helixtrans-58.2-47.2175.1-73.4178.8000111.8M209 V224 P225 L226 Y359 I360 M365 T366 V367M209-L363 HydrophobicContact SD-CD2 4.34Å; V224-L363 HydrophobicContact CG1-CD1 4.41Å; P225-L363 HydrophobicContact CG-CD2 3.93Å; P225-L363 WeakPolarHBondContact O-CD1 3.42Å; L226-L363 HydrophobicContact CD2-CD1 4.13Å; Y359-L363 HydrophobicContact CD1-CD1 4.03Å; Y359-L363 HydrophobicContact CE1-CD1 3.43Å; Y359-L363 VanDerWaalsContact CE1-CD1 3.43Å; Y359-L363 HydrophobicContact CE1-CG 4.14Å; Y359-L363 HydrophobicContact CE2-CD1 4.48Å; Y359-L363 HydrophobicContact CE2-CD2 4.49Å; Y359-L363 HydrophobicContact CE2-CG 4.37Å; Y359-L363 PolarHBondContact O-N 3.26Å; I360-L363 PolarHBondContact O-N 3.43Å; L363-M365 VanDerWaalsContact C-N 3.33Å; L363-M365 PolarHBondContact O-N 3.36Å; L363-T366 PolarHBondContact O-N 3.14Å; L363-V367 WeakPolarHBondContact O-CG2 3.39Å; L363-V367 PolarHBondContact O-N 2.96Å
364R97.4Very high97.2Very high88 Ų8862.9 Ų62.933%0.33231%0.308SS..Hα-helixtrans-58-46177.6-72.1175.263.8-156.12.7111.6V238 A241 I360 E361 A362 V367 H368V238-R364 HydrophobicContact CB-CG 4.46Å; V238-R364 HydrophobicContact CG2-CG 3.89Å; A241-R364 HydrophobicContact CB-CG 4.39Å; I360-R364 VanDerWaalsContact O-CG 3.31Å; I360-R364 WeakPolarHBondContact O-CG 3.46Å; I360-R364 PolarHBondContact O-N 3.47Å; E361-R364 PolarHBondContact O-N 3.02Å; E361-R364 IonicContact OE1-NH1 2.66Å; E361-R364 IonicContact OE2-CZ 2.77Å; E361-R364 IonicContact OE2-NE 2.75Å; E361-R364 IonicContact OE2-NH1 3.51Å; E361-R364 PolarHBondContact OE2-NH1 3.34Å; A362-R364 PolarHBondContact O-N 3.47Å; R364-V367 PolarHBondContact O-N 3.32Å; R364-H368 VanDerWaalsContact O-CB 3.25Å; R364-H368 WeakPolarHBondContact O-CB 3.47Å; R364-H368 PolarHBondContact O-N 3.25Å
365M97.5Very high96.2Very high104 Ų10466.4 Ų66.451%0.51233%0.325SS..Hα-helixtrans-62.6-45.2178-71.9179.765.800111.8E361 A362 L363 H368 D369E361-M365 HydrophobicContact CG-SD 4.45Å; E361-M365 VanDerWaalsContact O-CG 3.32Å; E361-M365 WeakPolarHBondContact O-CG 3.4Å; E361-M365 PolarHBondContact O-N 2.95Å; A362-M365 PolarHBondContact O-N 2.91Å; L363-M365 VanDerWaalsContact C-N 3.33Å; L363-M365 PolarHBondContact O-N 3.36Å; M365-H368 PolarHBondContact O-N 3.12Å; M365-D369 WeakPolarHBondContact O-CB 3.08Å; M365-D369 PolarHBondContact O-N 3.06Å
366T97.6Very high95.2Very high50 Ų5073.2 Ų73.231%0.30736%0.356SS..Hα-helixtrans-61.4-45.9177.8-61.30000111.9M209 A362 L363 D369 N370M209-T366 HydrophobicContact SD-CG2 4.26Å; A362-T366 PolarHBondContact O-N 3.19Å; A362-T366 PolarHBondContact O-OG1 3.14Å; A362-T366 VanDerWaalsContact O-OG1 3.09Å; L363-T366 PolarHBondContact O-N 3.14Å; T366-D369 PolarHBondContact O-N 3.48Å; T366-N370 WeakPolarHBondContact O-CB 3.43Å; T366-N370 PolarHBondContact O-N 2.78Å
367V97.9Very high94.2Very high8 Ų871.1 Ų71.15%0.04835%0.346CS..Hα-helixtrans-61-46.8175.8170.70000110.7V222 V224 V242 L363 R364 D369 N370 L371V222-V367 HydrophobicContact CG1-CB 4.5Å; V222-V367 HydrophobicContact CG1-CG1 3.58Å; V222-V367 HydrophobicContact CG1-CG2 4.11Å; V224-V367 HydrophobicContact CG2-CG2 4.35Å; V242-V367 HydrophobicContact CG1-CG1 4Å; V242-V367 HydrophobicContact CG2-CB 4.41Å; V242-V367 HydrophobicContact CG2-CG1 4.1Å; L363-V367 WeakPolarHBondContact O-CG2 3.39Å; L363-V367 PolarHBondContact O-N 2.96Å; R364-V367 PolarHBondContact O-N 3.32Å; V367-D369 VanDerWaalsContact C-N 3.34Å; V367-D369 PolarHBondContact O-N 3.25Å; V367-N370 WeakPolarHBondContact O-CB 3.47Å; V367-N370 PolarHBondContact O-N 2.93Å; V367-L371 HydrophobicContact CG1-CD1 3.96Å; V367-L371 HydrophobicContact CG1-CG 4.41Å; V367-L371 WeakPolarHBondContact O-CG 3.45Å; V367-L371 PolarHBondContact O-N 3.16Å
368H97.3Very high93.1Very high58 Ų5862 Ų6227%0.26931%0.314SS..Hα-helixtrans-60-42.1178.4-17780.6000112.5D245 R364 M365 L371 K372D245-H368 IonicContact OD1-ND1 3.98Å; D245-H368 IonicContact OD2-CE1 2.61Å; D245-H368 IonicContact OD2-CG 3.69Å; D245-H368 IonicContact OD2-ND1 3.47Å; D245-H368 PolarHBondContact OD2-ND1 3.36Å; R364-H368 VanDerWaalsContact O-CB 3.25Å; R364-H368 WeakPolarHBondContact O-CB 3.47Å; R364-H368 PolarHBondContact O-N 3.25Å; M365-H368 PolarHBondContact O-N 3.12Å; H368-L371 PolarHBondContact O-N 2.93Å; H368-K372 WeakPolarHBondContact CD2-CE 3.39Å; H368-K372 PolarHBondContact CD2-NZ 2.83Å; H368-K372 WeakPolarHBondContact NE2-CE 3.41Å; H368-K372 PolarHBondContact NE2-NZ 2.61Å; H368-K372 WeakPolarHBondContact O-CG 3.2Å; H368-K372 PolarHBondContact O-N 2.82Å
369D97.1Very high92.1Very high70 Ų7060 Ų6037%0.37432%0.316SS..Hα-helixtrans-71.4-31.8178.9-73.5-20.5000113.1M365 T366 V367 K372 Q373M365-D369 WeakPolarHBondContact O-CB 3.08Å; M365-D369 PolarHBondContact O-N 3.06Å; T366-D369 PolarHBondContact O-N 3.48Å; V367-D369 VanDerWaalsContact C-N 3.34Å; V367-D369 PolarHBondContact O-N 3.25Å; D369-K372 IonicContact OD1-NZ 3.7Å; D369-K372 PolarHBondContact OD1-NZ 3.03Å; D369-Q373 PolarHBondContact O-NE2 3.17Å
370N97.5Very high91Very high44 Ų4460.6 Ų60.624%0.23533%0.325CS..Hα-helixtrans-64.3-45.4168.6-78-15.7000111Y219 T366 V367 K372 Q373Y219-N370 HydrophobicContact CD1-CB 3.91Å; Y219-N370 HydrophobicContact CE1-CB 4.36Å; T366-N370 WeakPolarHBondContact O-CB 3.43Å; T366-N370 PolarHBondContact O-N 2.78Å; V367-N370 WeakPolarHBondContact O-CB 3.47Å; V367-N370 PolarHBondContact O-N 2.93Å; N370-K372 VanDerWaalsContact C-N 3.3Å; N370-K372 PolarHBondContact O-N 3.18Å; N370-Q373 VanDerWaalsContact O-CB 3.27Å; N370-Q373 WeakPolarHBondContact O-CB 3.25Å; N370-Q373 WeakPolarHBondContact O-CG 3.39Å; N370-Q373 PolarHBondContact O-N 3.22Å
371L96.8Very high89.6Confident1 Ų168.5 Ų68.51%0.00536%0.362CS..Hα-helixtrans-64.7-31.7178.8-70171.3000112.7M191 V222 D245 V246 F249 V367 H368 Q373 L374M191-L371 HydrophobicContact CE-CD2 4.13Å; M191-L371 HydrophobicContact SD-CD2 4.23Å; V222-L371 HydrophobicContact CG2-CD2 4.25Å; D245-L371 HydrophobicContact CB-CD1 3.67Å; V246-L371 HydrophobicContact CG2-CD1 3.93Å; V246-L371 HydrophobicContact CG2-CD2 4.28Å; F249-L371 HydrophobicContact CD2-CB 3.75Å; F249-L371 HydrophobicContact CD2-CD1 4.37Å; F249-L371 HydrophobicContact CE2-CB 4.16Å; F249-L371 HydrophobicContact CG-CB 4.14Å; V367-L371 HydrophobicContact CG1-CD1 3.96Å; V367-L371 HydrophobicContact CG1-CG 4.41Å; V367-L371 WeakPolarHBondContact O-CG 3.45Å; V367-L371 PolarHBondContact O-N 3.16Å; H368-L371 PolarHBondContact O-N 2.93Å; L371-Q373 PolarHBondContact O-N 2.92Å; L371-L374 HydrophobicContact CD2-CD1 3.82Å; L371-L374 VanDerWaalsContact O-CB 3.22Å; L371-L374 WeakPolarHBondContact O-CB 3.37Å; L371-L374 VanDerWaalsContact O-CG 3.28Å; L371-L374 WeakPolarHBondContact O-CG 3.47Å; L371-L374 PolarHBondContact O-N 3.1Å
372K95.5Very high88.3Confident104 Ų10475 Ų7545%0.45239%0.389SS..THydrogen-bonded Turntrans-61.7-21172.1-75.8176.5-171.4150.20114F249 H368 D369 N370 L374F249-K372 HydrophobicContact CZ-CG 4.1Å; H368-K372 WeakPolarHBondContact CD2-CE 3.39Å; H368-K372 PolarHBondContact CD2-NZ 2.83Å; H368-K372 WeakPolarHBondContact NE2-CE 3.41Å; H368-K372 PolarHBondContact NE2-NZ 2.61Å; H368-K372 WeakPolarHBondContact O-CG 3.2Å; H368-K372 PolarHBondContact O-N 2.82Å; D369-K372 IonicContact OD1-NZ 3.7Å; D369-K372 PolarHBondContact OD1-NZ 3.03Å; N370-K372 VanDerWaalsContact C-N 3.3Å; N370-K372 PolarHBondContact O-N 3.18Å; K372-L374 PolarHBondContact O-N 3.36Å
373Q95Very high86.9Confident104 Ų10478 Ų7849%0.48640%0.403SS..THydrogen-bonded Turntrans-72.3-13.9176.3-52.3-53.9-52.700111.9Y219 D369 N370 L371 V375Y219-Q373 HydrophobicContact CD1-CB 4.2Å; Y219-Q373 HydrophobicContact CD1-CG 4.24Å; Y219-Q373 HydrophobicContact CD2-CB 3.66Å; Y219-Q373 HydrophobicContact CD2-CG 4.37Å; Y219-Q373 HydrophobicContact CE1-CB 4.1Å; Y219-Q373 HydrophobicContact CE1-CG 3.76Å; Y219-Q373 HydrophobicContact CE2-CB 3.54Å; Y219-Q373 HydrophobicContact CE2-CG 3.92Å; Y219-Q373 HydrophobicContact CG-CB 3.99Å; D369-Q373 PolarHBondContact O-NE2 3.17Å; N370-Q373 VanDerWaalsContact O-CB 3.27Å; N370-Q373 WeakPolarHBondContact O-CB 3.25Å; N370-Q373 WeakPolarHBondContact O-CG 3.39Å; N370-Q373 PolarHBondContact O-N 3.22Å; L371-Q373 PolarHBondContact O-N 2.92Å; Q373-V375 PolarHBondContact O-N 2.79Å
374L91.2Very high85.6Confident19 Ų1985.4 Ų85.410%0.09944%0.442CS..  trans-74.7104.6174.5-54.5177.6000109.4M191 Y220 F249 L371 K372M191-L374 HydrophobicContact CE-CD1 3.56Å; Y220-L374 HydrophobicContact CD2-CD2 4.31Å; Y220-L374 HydrophobicContact CE1-CD2 4.15Å; Y220-L374 HydrophobicContact CE2-CD2 3.75Å; F249-L374 HydrophobicContact CB-CD1 4.24Å; L371-L374 HydrophobicContact CD2-CD1 3.82Å; L371-L374 VanDerWaalsContact O-CB 3.22Å; L371-L374 WeakPolarHBondContact O-CB 3.37Å; L371-L374 VanDerWaalsContact O-CG 3.28Å; L371-L374 WeakPolarHBondContact O-CG 3.47Å; L371-L374 PolarHBondContact O-N 3.1Å; K372-L374 PolarHBondContact O-N 3.36Å
375V76.1Confident84.3Confident117 Ų11783.7 Ų83.771%0.70944%0.442SS*.  trans-68.8-39.7-176.9-159.80000111.3Q373Q373-V375 PolarHBondContact O-N 2.79Å
376H78.5Confident82.9Confident146 Ų14683.6 Ų83.668%0.67645%0.449SS*.SBendtrans-147.2155.2-177.6-34.1-47.6000109.7
377A76.2Confident81.4Confident27 Ų2789.4 Ų89.422%0.22348%0.478CS..  trans-68.6126164.900000109R251R251-A377 HydrophobicContact CB-CB 4.4Å
378P76Confident80Confident14 Ų1490.1 Ų90.19%0.09148%0.482CS..  trans-63145.3-176.224.5-33.1000111.1R166 D188 Y220 Y250R166-P378 WeakPolarHBondContact CD-O 3.37Å; R166-P378 HydrophobicContact CG-CG 4.11Å; R166-P378 PolarHBondContact NH1-O 3.35Å; D188-P378 HydrophobicContact CB-CB 4.03Å; D188-P378 HydrophobicContact CB-CG 3.95Å; D188-P378 VanDerWaalsContact O-CG 3.29Å; D188-P378 WeakPolarHBondContact O-CG 3.4Å; D188-P378 WeakPolarHBondContact OD2-CB 3.21Å; Y220-P378 HydrophobicContact CE1-CG 3.93Å; Y220-P378 WeakPolarHBondContact OH-CD 3.48Å; Y250-P378 HydrophobicContact CE2-CG 3.97Å
379S76.3Confident78.3Confident106 Ų10690.2 Ų90.274%0.74148%0.48SS*.  trans-127.915617866.60000110.3
380V75.6Confident76.7Confident67 Ų6793 Ų9341%0.40649%0.494SS..  trans-120.8143.1-179.1-168.70000108P165 R189P165-V380 HydrophobicContact CB-CG2 4.46Å; R189-V380 HydrophobicContact CG-CG2 4.22Å
381Q68.3Low75Confident173 Ų17393.6 Ų93.681%0.80850%0.502SS*.  trans-63.2143.4171.1-72.1-174.6-18.100110.3T383Q381-T383 PolarHBondContact O-N 3.31Å; Q381-T383 PolarHBondContact O-OG1 3.37Å
382F70.6Confident73Confident218 Ų21895.1 Ų95.196%0.95651%0.51SS*.  trans-56.6130.2174.4-68.7-78.5000110.1
383T69.7Low71.2Confident113 Ų11395.3 Ų95.369%0.69351%0.511SS*.  trans-132141.6176.5-51.60000107.8Q381 V385Q381-T383 PolarHBondContact O-N 3.31Å; Q381-T383 PolarHBondContact O-OG1 3.37Å; T383-V385 PolarHBondContact O-N 3.49Å
384D69.4Low69Low162 Ų16294.5 Ų94.587%0.86652%0.516SS*.PPolyproline II helixtrans-65.9124.4173-74.1-34.5000109.9
385V69.7Low66.8Low52 Ų5298.6 Ų98.632%0.31554%0.538SS..PPolyproline II helixtrans-96.5119.2174.2-173.90000108K162 Y163 T383K162-V385 HydrophobicContact CB-CG1 4.07Å; K162-V385 VanDerWaalsContact O-CG2 3.27Å; K162-V385 WeakPolarHBondContact O-CG2 3.45Å; Y163-V385 HydrophobicContact CE1-CB 4.38Å; Y163-V385 HydrophobicContact CE1-CG1 4.21Å; Y163-V385 HydrophobicContact CE2-CG1 3.97Å; T383-V385 PolarHBondContact O-N 3.49Å
386P69.4Low65.2Low103 Ų10399.5 Ų99.567%0.66954%0.539SS*.PPolyproline II helixtrans-57.3144.3175.7-23.933.6000112.1D388P386-D388 PolarHBondContact O-N 3.26Å; P386-D388 VanDerWaalsContact O-N 3.08Å
387N64.5Low63.3Low171 Ų17197.4 Ų97.491%0.91454%0.54SS*.  trans-64.2108.4173.6-83.6-26.5000110.5
388D69.5Low61.3Low23 Ų23102.4 Ų102.412%0.12356%0.564CS.*  trans-114.8-16-178.760.24.4000114K162 P386 L390 S391K162-D388 IonicContact NZ-OD2 3.89Å; K162-D388 PolarHBondContact NZ-OD2 2.84Å; P386-D388 PolarHBondContact O-N 3.26Å; P386-D388 VanDerWaalsContact O-N 3.08Å; D388-L390 PolarHBondContact O-N 3.15Å; D388-S391 PolarHBondContact O-N 3.02Å; D388-S391 VanDerWaalsContact O-N 3.15Å; D388-S391 PolarHBondContact O-OG 3.35Å
389Y60.4Low59.6Low61 Ų61108.4 Ų108.424%0.23960%0.595CS.*THydrogen-bonded Turntrans-55.8-45.5-174.3-172.5-105.5000113.7Y120 N123 V125 F393Y120-Y389 HydrophobicContact CD2-CE2 4.41Å; N123-Y389 HydrophobicContact CB-CD2 3.89Å; N123-Y389 HydrophobicContact CB-CE2 3.98Å; N123-Y389 VanDerWaalsContact CG-CD2 3.41Å; N123-Y389 VanDerWaalsContact ND2-CD2 3.3Å; N123-Y389 WeakPolarHBondContact ND2-CD2 3.35Å; V125-Y389 HydrophobicContact CG2-CE2 4.17Å; V125-Y389 WeakPolarHBondContact CG2-OH 3.48Å; Y389-F393 HydrophobicContact CD1-CE2 4.26Å; Y389-F393 AromaticContact CE1-CE2 3.82Å; Y389-F393 HydrophobicContact CE1-CE2 3.82Å; Y389-F393 HydrophobicContact CE1-CZ 4.46Å; Y389-F393 AromaticContact CZ-CE2 4Å; Y389-F393 WeakPolarHBondContact O-CD2 3.36Å
390L65.1Low57.7Low127 Ų127112 Ų11267%0.66560%0.6SS**THydrogen-bonded Turntrans-76.7-20.3-177.9-69177.9000114D388 N392 F393D388-L390 PolarHBondContact O-N 3.15Å; L390-N392 PolarHBondContact O-N 3.2Å; L390-F393 HydrophobicContact CD2-CD2 4.47Å; L390-F393 PolarHBondContact O-N 3.28Å; L390-F393 VanDerWaalsContact O-N 3.17Å
391S61.8Low55.8Low58 Ų58119.3 Ų119.341%0.40662%0.62SS.*Hα-helixtrans-62.1-29.6-172.465.70000113.3D388D388-S391 PolarHBondContact O-N 3.02Å; D388-S391 VanDerWaalsContact O-N 3.15Å; D388-S391 PolarHBondContact O-OG 3.35Å
392N54.3Low54.2Low32 Ų32119.5 Ų119.517%0.17162%0.621CS.*Hα-helixtrans-80.5-27.6-179.1-42.6-65.1000112.7K119 L390 C394 N395K119-N392 WeakPolarHBondContact CD-ND2 3.34Å; K119-N392 VanDerWaalsContact NZ-CG 3.3Å; K119-N392 PolarHBondContact NZ-ND2 2.8Å; K119-N392 PolarHBondContact NZ-OD1 2.78Å; L390-N392 PolarHBondContact O-N 3.2Å; N392-C394 PolarHBondContact O-N 3.46Å; N392-N395 PolarHBondContact O-N 2.77Å
393F57.3Low52.2Low109 Ų109118.3 Ų118.348%0.47862%0.616SS.*Hα-helixtrans-71.9-17.3175.5-65.2-79.9000112.4Y389 L390Y389-F393 HydrophobicContact CD1-CE2 4.26Å; Y389-F393 AromaticContact CE1-CE2 3.82Å; Y389-F393 HydrophobicContact CE1-CE2 3.82Å; Y389-F393 HydrophobicContact CE1-CZ 4.46Å; Y389-F393 AromaticContact CZ-CE2 4Å; Y389-F393 WeakPolarHBondContact O-CD2 3.36Å; L390-F393 HydrophobicContact CD2-CD2 4.47Å; L390-F393 PolarHBondContact O-N 3.28Å; L390-F393 VanDerWaalsContact O-N 3.17Å
394C48.2Very low50.4Low87 Ų87118.5 Ų118.559%0.58862%0.619SS**Hα-helixtrans-86.6-22.6176.8-62.30000113.4N392 D396 S397N392-C394 PolarHBondContact O-N 3.46Å; C394-D396 VanDerWaalsContact C-N 3.34Å; C394-D396 PolarHBondContact O-N 2.88Å; C394-S397 PolarHBondContact O-OG 3.22Å; C394-S397 VanDerWaalsContact O-OG 3.06Å
395N45.8Very low48.7Very low105 Ų105118.2 Ų118.256%0.56162%0.617SS**G310 helixtrans-80.6-8.6-173.3-77.4-11.7000114.6N392 S397 N398N392-N395 PolarHBondContact O-N 2.77Å; N395-S397 PolarHBondContact O-N 3.35Å; N395-N398 PolarHBondContact O-N 2.97Å; N395-N398 VanDerWaalsContact O-N 3.16Å
396D43.4Very low46.9Very low136 Ų136124.6 Ų124.673%0.72764%0.643SS**G310 helixtrans-60.4-9.8172.1-93-7.7000113.5C394C394-D396 VanDerWaalsContact C-N 3.34Å; C394-D396 PolarHBondContact O-N 2.88Å
397S38.1Very low45.2Very low101 Ų101127.7 Ų127.771%0.70665%0.651SS**G310 helixtrans-86.1-11.8177.655.40000114.8C394 N395C394-S397 PolarHBondContact O-OG 3.22Å; C394-S397 VanDerWaalsContact O-OG 3.06Å; N395-S397 PolarHBondContact O-N 3.35Å
398N33.4Very low43.7Very low133 Ų133129.1 Ų129.171%0.71165%0.649SS**  trans-111.256.7174.8-75.1-17.5000110.6N395 E400N395-N398 PolarHBondContact O-N 2.97Å; N395-N398 VanDerWaalsContact O-N 3.16Å; N398-E400 PolarHBondContact O-N 3.24Å
399D40.8Very low41.9Very low140 Ų140134.4 Ų134.475%0.74968%0.683SS**  trans-60.795151.5-107.9-19.5000106.3R401D399-R401 PolarHBondContact O-N 3.1Å
400E36.7Very low40.7Very low181 Ų181140.3 Ų140.385%0.84671%0.712SS**  trans-5984.1156.2-73-170.3169.600106.1N398 E402N398-E400 PolarHBondContact O-N 3.24Å; E400-E402 PolarHBondContact O-N 2.88Å
401R35.8Very low39.3Very low220 Ų220142.4 Ų142.483%0.8372%0.718SS**  trans-52.4110.6168.2-64.4-177.5-153.8174.46.2105.6D399 K403D399-R401 PolarHBondContact O-N 3.1Å; R401-K403 PolarHBondContact O-N 3.09Å
402E33.6Very low37.9Very low177 Ų177149 Ų14983%0.82774%0.743SS**  trans-40.2108.1168.4-68.8178.7160.800107.4E400 P404E400-E402 PolarHBondContact O-N 2.88Å; E402-P404 WeakPolarHBondContact O-CD 3.33Å
403K29.1Very low37.1Very low194 Ų194155.9 Ų155.984%0.84377%0.774SS**  trans-62.7120.4173.2-75.2-175.7177.8179.70105.7R401 N405R401-K403 PolarHBondContact O-N 3.09Å; K403-N405 PolarHBondContact O-N 2.95Å
404P32.2Very low36.1Very low116 Ų116157.7 Ų157.775%0.75379%0.789SS**  trans-58.9127176.9-16.528.6000107.5E402 E406E402-P404 WeakPolarHBondContact O-CD 3.33Å; P404-E406 PolarHBondContact O-N 3.08Å
405N33.7Very low35.7Very low157 Ų157159 Ų15984%0.8480%0.799SS**  trans-44.1116.6173.6-97.4-20.5000109.2K403 M407K403-N405 PolarHBondContact O-N 2.95Å; N405-M407 VanDerWaalsContact C-N 3.26Å; N405-M407 PolarHBondContact O-N 3.42Å
406E31.9Very low35.3Very low185 Ų185160.2 Ų160.286%0.86481%0.81SS**  trans-6291.7169.4-70.9178.6173.300107.4P404 F408P404-E406 PolarHBondContact O-N 3.08Å; E406-F408 PolarHBondContact O-N 2.96Å
407M33.3Very low35.4Very low168 Ų168158.5 Ų158.583%0.82882%0.815SS**  trans-68.9113.7165.9-87.4-178.355.200107.7N405 V409N405-M407 VanDerWaalsContact C-N 3.26Å; N405-M407 PolarHBondContact O-N 3.42Å; M407-V409 PolarHBondContact O-N 3.32Å
408F33.4Very low35.4Very low201 Ų201162.1 Ų162.188%0.88285%0.851SS**  trans-42.3120.1171.5-74.9-96.4000111.5E406 E410E406-F408 PolarHBondContact O-N 2.96Å; F408-E410 PolarHBondContact O-N 3.05Å
409V31.7Very low35.5Very low135 Ų135163.6 Ų163.682%0.81886%0.858SS**  trans-79104.5165.5-177.80000106.3M407M407-V409 PolarHBondContact O-N 3.32Å
410E35.3Very low35.2Very low185 Ų185164.8 Ų164.886%0.86486%0.863SS**  trans-83.7122.1161.7-80.3-172.8162.100108.5F408F408-E410 PolarHBondContact O-N 3.05Å
411E35.3Very low35.1Very low170 Ų170163.9 Ų163.979%0.79486%0.864SS**  trans-61.1127.6-175.5-68.3173.8145.600112.5Q413E411-Q413 PolarHBondContact O-N 3.46Å; E411-Q413 VanDerWaalsContact O-N 3.14Å
412E33.2Very low35.1Very low197 Ų197160.6 Ų160.692%0.92187%0.866SS**  trans-64.2105.6159.4-78.1-178.9148.400109.1D414E412-D414 PolarHBondContact O-N 3.48Å
413Q37.8Very low35.2Very low176 Ų176159.6 Ų159.682%0.82287%0.869SS**  trans-80.998.4162.1-81-171.2-3.700109.8E411 S415E411-Q413 PolarHBondContact O-N 3.46Å; E411-Q413 VanDerWaalsContact O-N 3.14Å; Q413-S415 PolarHBondContact O-N 3.01Å
414D36.3Very low35.6Very low148 Ų148157.3 Ų157.379%0.79187%0.871SS**  trans-47.5118.6160.9-126.4-19.4000110.6E412E412-D414 PolarHBondContact O-N 3.48Å
415S39.9Very low35.8Very low113 Ų113160.2 Ų160.279%0.7988%0.879SS**  trans-125.283.6163.457.30000109.4Q413 A417Q413-S415 PolarHBondContact O-N 3.01Å; S415-A417 PolarHBondContact O-N 3.4Å
416T37Very low36Very low132 Ų132160.5 Ų160.581%0.8188%0.882SS**  trans-74.2103.8157.735.40000107.9
417A44.9Very low36.3Very low99 Ų99158.4 Ų158.482%0.81888%0.883SS**  trans-98.2124.3165.600000108.8S415S415-A417 PolarHBondContact O-N 3.4Å
418A37.9Very low36.6Very low177 Ų177157.5 Ų157.5100%1.46389%0.889SS**  trans-57.10179.300000114.7

Retrieved 418 of 418 residues in 333.9 ms (Link to these results)

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