G4V9H5_SCHMA Loading...

tRNA (adenine(58)-N(1))-methyltransferase non-catalytic subunit TRM6

AlphaFold DB , UniProt , Accession G4V9H5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 441 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
1M86.7Confident95.4Very high158 Ų15849.8 Ų49.878%0.77826%0.262SS*.  01280-171.1169.4-176.200107.5F45 K153M1-F45 HydrophobicContact CB-CD2 4.33Å; M1-F45 HydrophobicContact CG-CD2 4.33Å; M1-F45 HydrophobicContact CG-CE2 4.39Å; M1-F45 PolarHBondContact O-N 2.97Å; M1-K153 HydrophobicContact SD-CD 4.23Å; M1-K153 PolarHBondContact SD-NZ 2.77Å
2L96Very high95.3Very high94 Ų9448.4 Ų48.449%0.49225%0.254SS..BIsolated β-bridgetrans-89.6152.9-179.8-56.6179.7000109.9G42 P44L2-G42 WeakPolarHBondContact CD2-O 3.36Å; L2-P44 HydrophobicContact CD2-CB 4.3Å; L2-P44 HydrophobicContact CD2-CG 3.77Å
3I97.1Very high94.9Very high0 Ų047.4 Ų47.40%025%0.246CC..  trans-72.6132.3174.2-62.4160000109I22 A40 G42 V43 F45 V151I3-I22 HydrophobicContact CG2-CD1 3.78Å; I3-I22 HydrophobicContact CG2-CG1 3.72Å; I3-I22 HydrophobicContact CG2-CG2 4.43Å; I3-A40 WeakPolarHBondContact CB-O 3.36Å; I3-A40 HydrophobicContact CD1-CB 4.16Å; I3-G42 PolarHBondContact O-N 3.21Å; I3-V43 WeakPolarHBondContact CG1-O 3.29Å; I3-V43 PolarHBondContact N-O 3.14Å; I3-F45 HydrophobicContact CB-CZ 4.44Å; I3-F45 HydrophobicContact CD1-CD1 4.42Å; I3-F45 HydrophobicContact CG1-CD1 3.78Å; I3-F45 HydrophobicContact CG1-CD2 4.15Å; I3-F45 HydrophobicContact CG1-CE1 3.73Å; I3-F45 HydrophobicContact CG1-CE2 4.07Å; I3-F45 HydrophobicContact CG1-CG 4.02Å; I3-F45 HydrophobicContact CG1-CZ 3.86Å; I3-V151 HydrophobicContact CD1-CB 3.94Å; I3-V151 HydrophobicContact CD1-CG1 3.63Å; I3-V151 HydrophobicContact CG1-CG1 4.39Å
4T96.9Very high93.8Very high75 Ų7553.2 Ų53.246%0.4627%0.272SS..  trans-119.3157.2178.559.30000113G6 E7T4-G6 PolarHBondContact O-N 3.17Å; T4-E7 PolarHBondContact N-OE2 3.35Å; T4-E7 WeakPolarHBondContact O-CB 3.3Å; T4-E7 PolarHBondContact O-N 2.92Å; T4-E7 PolarHBondContact OG1-OE2 3.19Å
5E96.9Very high92.8Very high86 Ų8660.1 Ų60.140%0.40230%0.302SS..THydrogen-bonded Turntrans-54.7135.1172.3-173.371.9172.100110.6E7 S23 S24 I41E5-E7 VanDerWaalsContact C-N 3.25Å; E5-E7 PolarHBondContact O-N 3.12Å; E5-S23 WeakPolarHBondContact OE1-CA 3.1Å; E5-S23 WeakPolarHBondContact OE2-CA 3.33Å; E5-S24 VanDerWaalsContact CD-N 3.32Å; E5-S24 PolarHBondContact OE1-N 3.27Å; E5-S24 PolarHBondContact OE1-OG 2.7Å; E5-S24 PolarHBondContact OE2-N 3.41Å; E5-I41 WeakPolarHBondContact OE2-CD1 3.35Å
6G95.3Very high92.6Very high30 Ų3058.8 Ų58.831%0.30930%0.299SS..THydrogen-bonded Turntrans78.3-2.5179.400000115.6T4 K21 I22T4-G6 PolarHBondContact O-N 3.17Å; G6-K21 WeakPolarHBondContact O-CE 3.29Å; G6-K21 WeakPolarHBondContact O-CG 3.12Å; G6-I22 VanDerWaalsContact CA-O 3.32Å; G6-I22 WeakPolarHBondContact CA-O 3.49Å; G6-I22 PolarHBondContact N-O 3.18Å
7E94.5Very high92.7Very high30 Ų3056.8 Ų56.814%0.1429%0.287CS..  trans-74.8141.7174.7-161.5172.4-174.700110.8T4 E5 I22 F45 K153T4-E7 PolarHBondContact N-OE2 3.35Å; T4-E7 WeakPolarHBondContact O-CB 3.3Å; T4-E7 PolarHBondContact O-N 2.92Å; T4-E7 PolarHBondContact OG1-OE2 3.19Å; E5-E7 VanDerWaalsContact C-N 3.25Å; E5-E7 PolarHBondContact O-N 3.12Å; E7-I22 WeakPolarHBondContact O-CG1 3.44Å; E7-I22 PolarHBondContact O-N 3.34Å; E7-F45 HydrophobicContact CG-CZ 4.25Å; E7-F45 WeakPolarHBondContact OE1-CE2 3.16Å; E7-F45 WeakPolarHBondContact OE1-CZ 3.29Å; E7-F45 VanDerWaalsContact OE2-CE2 3.28Å; E7-F45 WeakPolarHBondContact OE2-CE2 3.37Å; E7-F45 WeakPolarHBondContact OE2-CZ 3.44Å; E7-K153 IonicContact OE1-NZ 2.66Å; E7-K153 PolarHBondContact OE1-NZ 2.72Å
8Y96.1Very high92.9Very high74 Ų7456.7 Ų56.729%0.2929%0.285SS..EExtended strand (participates in β ladder)trans-80.1135.6172.6-73-79.4000110.5F19 T20 K21 P154 P237 V238Y8-F19 AromaticContact CD1-CE1 3.62Å; Y8-F19 HydrophobicContact CD1-CE1 3.62Å; Y8-F19 HydrophobicContact CD1-CE2 4.22Å; Y8-F19 AromaticContact CD1-CZ 3.36Å; Y8-F19 HydrophobicContact CD1-CZ 3.36Å; Y8-F19 HydrophobicContact CE1-CE1 4.07Å; Y8-F19 HydrophobicContact CE1-CZ 4.16Å; Y8-F19 HydrophobicContact CG-CE1 4.39Å; Y8-F19 HydrophobicContact CG-CE2 4.34Å; Y8-F19 AromaticContact CG-CZ 3.68Å; Y8-F19 HydrophobicContact CG-CZ 3.68Å; Y8-T20 CarbonylContact C-O 3.47Å; Y8-T20 WeakPolarHBondContact CA-O 3.49Å; Y8-K21 HydrophobicContact CD1-CB 3.9Å; Y8-K21 HydrophobicContact CD1-CG 4.27Å; Y8-K21 HydrophobicContact CE1-CB 3.83Å; Y8-K21 HydrophobicContact CE1-CD 4.27Å; Y8-K21 HydrophobicContact CE1-CG 4.16Å; Y8-P154 WeakPolarHBondContact O-CD 3.43Å; Y8-P154 VanDerWaalsContact O-CG 3.27Å; Y8-P154 WeakPolarHBondContact O-CG 3.4Å; Y8-P237 HydrophobicContact CD2-CB 4.25Å; Y8-P237 HydrophobicContact CE1-CB 3.99Å; Y8-P237 HydrophobicContact CE2-CB 3.66Å; Y8-V238 HydrophobicContact CG-CG2 4.38Å
9V96.9Very high93Very high0 Ų055.7 Ų55.70%028%0.279CS..EExtended strand (participates in β ladder)trans-137.2161.6-174.1-55.20000112.2L11 T20 I22 F45 V151V9-L11 HydrophobicContact CG2-CD2 4.21Å; V9-T20 HydrophobicContact CG2-CG2 3.99Å; V9-T20 PolarHBondContact N-O 2.97Å; V9-T20 PolarHBondContact O-N 3.15Å; V9-I22 HydrophobicContact CB-CG1 4.38Å; V9-I22 HydrophobicContact CG1-CD1 3.99Å; V9-I22 HydrophobicContact CG1-CG1 3.52Å; V9-I22 HydrophobicContact CG2-CD1 3.78Å; V9-I22 HydrophobicContact CG2-CG1 3.92Å; V9-F45 HydrophobicContact CB-CE1 4.48Å; V9-F45 HydrophobicContact CG1-CE1 3.7Å; V9-F45 HydrophobicContact CG1-CZ 4.13Å; V9-V151 HydrophobicContact CB-CG1 3.87Å; V9-V151 HydrophobicContact CG1-CG1 4.12Å; V9-V151 HydrophobicContact CG2-CG1 4.05Å
10L96.4Very high93.2Very high1 Ų153.4 Ų53.41%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-108.4122.4168.1-69.9170.3000109.5L12 Y17 K18 F19 E152 P154 I158 I162L10-L12 HydrophobicContact CB-CD2 4.01Å; L10-L12 HydrophobicContact CB-CG 4.3Å; L10-Y17 HydrophobicContact CD2-CD2 4.22Å; L10-K18 WeakPolarHBondContact CA-O 3.46Å; L10-F19 HydrophobicContact CD2-CB 4.02Å; L10-F19 HydrophobicContact CD2-CD2 3.93Å; L10-F19 HydrophobicContact CD2-CG 4.48Å; L10-E152 HydrophobicContact CB-CB 4.26Å; L10-E152 PolarHBondContact N-O 2.96Å; L10-E152 PolarHBondContact O-N 2.9Å; L10-P154 HydrophobicContact CD1-CB 4.27Å; L10-P154 HydrophobicContact CG-CB 4.22Å; L10-P154 HydrophobicContact CG-CG 4.22Å; L10-I158 HydrophobicContact CD1-CG2 3.91Å; L10-I162 HydrophobicContact CD1-CD1 4.07Å
11L96.7Very high93.3Very high0 Ų055.6 Ų55.60%028%0.275CS..EExtended strand (participates in β ladder)trans-86.5121165.3-48.3-175.9000107.8V9 Y17 K18 T20 F30 F35 L37 F149 S150 V151V9-L11 HydrophobicContact CG2-CD2 4.21Å; L11-Y17 CarbonylContact O-C 3.22Å; L11-Y17 WeakPolarHBondContact O-CA 3.29Å; L11-K18 HydrophobicContact CB-CB 4.27Å; L11-K18 HydrophobicContact CD1-CB 4.44Å; L11-K18 HydrophobicContact CD1-CD 4.43Å; L11-K18 HydrophobicContact CG-CB 4.5Å; L11-K18 PolarHBondContact N-O 2.99Å; L11-K18 PolarHBondContact O-N 3.42Å; L11-T20 HydrophobicContact CD1-CG2 4.43Å; L11-T20 HydrophobicContact CG-CG2 4.39Å; L11-F30 HydrophobicContact CB-CD1 4.19Å; L11-F30 HydrophobicContact CB-CD2 4.3Å; L11-F30 HydrophobicContact CB-CE1 4.06Å; L11-F30 HydrophobicContact CB-CE2 4.18Å; L11-F30 HydrophobicContact CB-CG 4.31Å; L11-F30 HydrophobicContact CB-CZ 4.05Å; L11-F30 HydrophobicContact CD1-CB 4.11Å; L11-F30 HydrophobicContact CD1-CD1 4.35Å; L11-F30 HydrophobicContact CD1-CD2 4.5Å; L11-F30 HydrophobicContact CD1-CG 4.07Å; L11-F35 HydrophobicContact CD1-CZ 4.47Å; L11-L37 HydrophobicContact CD1-CD1 4.38Å; L11-L37 HydrophobicContact CD1-CD2 4.42Å; L11-L37 HydrophobicContact CD2-CD1 4.08Å; L11-L37 HydrophobicContact CD2-CD2 3.99Å; L11-F149 HydrophobicContact CB-CD2 4.33Å; L11-F149 HydrophobicContact CD2-CD2 4.36Å; L11-F149 HydrophobicContact CD2-CE2 4.04Å; L11-S150 WeakPolarHBondContact CA-O 3.41Å; L11-V151 HydrophobicContact CD2-CG1 4.42Å; L11-V151 HydrophobicContact CD2-CG2 3.89Å
12L93.9Very high93.8Very high33 Ų3348.1 Ų48.117%0.17324%0.239CC..EExtended strand (participates in β ladder)trans-120.4134.8-176.8-56.8-171.5000112L10 F149 S150 E152 I158 I162L10-L12 HydrophobicContact CB-CD2 4.01Å; L10-L12 HydrophobicContact CB-CG 4.3Å; L12-F149 CarbonylContact O-C 3.46Å; L12-F149 WeakPolarHBondContact O-CA 3.32Å; L12-F149 WeakPolarHBondContact O-CB 3.44Å; L12-S150 PolarHBondContact N-O 3.39Å; L12-S150 PolarHBondContact O-N 2.66Å; L12-E152 HydrophobicContact CD1-CB 4.14Å; L12-E152 HydrophobicContact CD1-CG 3.4Å; L12-E152 VanDerWaalsContact CD1-CG 3.4Å; L12-E152 HydrophobicContact CG-CB 4.49Å; L12-E152 HydrophobicContact CG-CG 3.95Å; L12-I158 HydrophobicContact CD1-CG2 3.87Å; L12-I162 HydrophobicContact CD1-CD1 4.22Å; L12-I162 HydrophobicContact CD2-CD1 3.32Å; L12-I162 HydrophobicContact CD2-CG1 4.13Å; L12-I162 HydrophobicContact CG-CD1 4.44Å
13K90Very high93.9Very high35 Ų3545 Ų4515%0.15223%0.225CC..EExtended strand (participates in β ladder)trans-148.1106.6169.1175.4-176.8-179.3-179.30109.1H15 C16 F30 D31 L148 F149K13-H15 VanDerWaalsContact C-N 3.34Å; K13-H15 PolarHBondContact O-N 3.13Å; K13-C16 PolarHBondContact N-O 3.4Å; K13-C16 PolarHBondContact O-N 3.49Å; K13-C16 VanDerWaalsContact O-O 3.09Å; K13-C16 PolarHBondContact O-SG 3.04Å; K13-C16 VanDerWaalsContact O-SG 3.42Å; K13-F30 HydrophobicContact CB-CE1 3.99Å; K13-F30 HydrophobicContact CB-CZ 3.97Å; K13-D31 HydrophobicContact CD-CB 4.29Å; K13-D31 WeakPolarHBondContact CD-OD2 3.26Å; K13-D31 WeakPolarHBondContact CE-OD2 3.45Å; K13-D31 IonicContact NZ-OD2 2.64Å; K13-D31 PolarHBondContact NZ-OD2 2.97Å; K13-L148 WeakPolarHBondContact CD-O 3.39Å; K13-L148 WeakPolarHBondContact CG-O 3.36Å; K13-F149 HydrophobicContact CB-CB 4.15Å
14E79.7Confident93.7Very high129 Ų12947.2 Ų47.260%0.60324%0.24SC*.THydrogen-bonded Turntrans37.8-82.8178.2-66.1-171.4145.500115.5
15H79.6Confident93.5Very high157 Ų15752.3 Ų52.373%0.72726%0.259SS*.THydrogen-bonded Turntrans-108.74.8-174.7-54.2-53.3000114.6K13 I166K13-H15 VanDerWaalsContact C-N 3.34Å; K13-H15 PolarHBondContact O-N 3.13Å; H15-I166 WeakPolarHBondContact O-CD1 3.25Å
16C89.6Confident93.4Very high38 Ų3852.7 Ų52.726%0.25726%0.259SS..EExtended strand (participates in β ladder)trans-131.7149.6175.970.50000111.3K13K13-C16 PolarHBondContact N-O 3.4Å; K13-C16 PolarHBondContact O-N 3.49Å; K13-C16 VanDerWaalsContact O-O 3.09Å; K13-C16 PolarHBondContact O-SG 3.04Å; K13-C16 VanDerWaalsContact O-SG 3.42Å
17Y94.2Very high93.3Very high25 Ų2557.9 Ų57.910%0.09827%0.269CS..EExtended strand (participates in β ladder)trans-143.8159.5177.782.1-78.6000110.7L10 L11 I162 Y163 I166 R167 E234L10-Y17 HydrophobicContact CD2-CD2 4.22Å; L11-Y17 CarbonylContact O-C 3.22Å; L11-Y17 WeakPolarHBondContact O-CA 3.29Å; Y17-I162 HydrophobicContact CD1-CG2 3.25Å; Y17-I162 HydrophobicContact CD2-CG2 3.86Å; Y17-I162 HydrophobicContact CE1-CG2 3.49Å; Y17-I162 VanDerWaalsContact CE1-CG2 3.49Å; Y17-I162 HydrophobicContact CE2-CG2 4.08Å; Y17-I162 HydrophobicContact CG-CG2 3.41Å; Y17-I162 VanDerWaalsContact CG-CG2 3.41Å; Y17-Y163 WeakPolarHBondContact OH-CE2 3.36Å; Y17-I166 HydrophobicContact CD1-CD1 3.59Å; Y17-I166 HydrophobicContact CE1-CD1 4.25Å; Y17-I166 HydrophobicContact CE1-CG2 4.34Å; Y17-R167 PolarHBondContact OH-NH1 2.93Å; Y17-E234 WeakPolarHBondContact CE2-OE1 3.31Å; Y17-E234 PolarHBondContact OH-OE1 3.17Å; Y17-E234 PolarHBondContact OH-OE2 3.17Å
18K95.2Very high93.3Very high56 Ų5656.7 Ų56.724%0.24326%0.264CS..EExtended strand (participates in β ladder)trans-144.8125.5170.6-173.3178.1-170.9-177.50110.8L10 L11 E28 K29 F30L10-K18 WeakPolarHBondContact CA-O 3.46Å; L11-K18 HydrophobicContact CB-CB 4.27Å; L11-K18 HydrophobicContact CD1-CB 4.44Å; L11-K18 HydrophobicContact CD1-CD 4.43Å; L11-K18 HydrophobicContact CG-CB 4.5Å; L11-K18 PolarHBondContact N-O 2.99Å; L11-K18 PolarHBondContact O-N 3.42Å; K18-E28 WeakPolarHBondContact CE-OE2 3.34Å; K18-E28 IonicContact NZ-OE2 3.91Å; K18-E28 PolarHBondContact NZ-OE2 3.29Å; K18-K29 WeakPolarHBondContact CD-O 3.37Å; K18-K29 PolarHBondContact NZ-O 3.01Å; K18-F30 HydrophobicContact CB-CD2 3.63Å; K18-F30 HydrophobicContact CB-CE2 3.91Å; K18-F30 HydrophobicContact CD-CD2 4.38Å
19F95.8Very high93.3Very high38 Ų3860.1 Ų60.117%0.16728%0.28CS..EExtended strand (participates in β ladder)trans-84127166.5-178.3-106.3000109.6Y8 L10 P154 E234 I235 P237 V238Y8-F19 AromaticContact CD1-CE1 3.62Å; Y8-F19 HydrophobicContact CD1-CE1 3.62Å; Y8-F19 HydrophobicContact CD1-CE2 4.22Å; Y8-F19 AromaticContact CD1-CZ 3.36Å; Y8-F19 HydrophobicContact CD1-CZ 3.36Å; Y8-F19 HydrophobicContact CE1-CE1 4.07Å; Y8-F19 HydrophobicContact CE1-CZ 4.16Å; Y8-F19 HydrophobicContact CG-CE1 4.39Å; Y8-F19 HydrophobicContact CG-CE2 4.34Å; Y8-F19 AromaticContact CG-CZ 3.68Å; Y8-F19 HydrophobicContact CG-CZ 3.68Å; L10-F19 HydrophobicContact CD2-CB 4.02Å; L10-F19 HydrophobicContact CD2-CD2 3.93Å; L10-F19 HydrophobicContact CD2-CG 4.48Å; F19-P154 HydrophobicContact CD2-CG 4.33Å; F19-P154 HydrophobicContact CE2-CB 4.25Å; F19-P154 HydrophobicContact CE2-CG 3.88Å; F19-E234 HydrophobicContact CB-CG 4.43Å; F19-E234 WeakPolarHBondContact CD1-O 3.46Å; F19-E234 WeakPolarHBondContact CE1-O 3.45Å; F19-I235 HydrophobicContact CD2-CG2 4.08Å; F19-I235 HydrophobicContact CE2-CB 4.38Å; F19-I235 HydrophobicContact CE2-CG2 4.13Å; F19-P237 HydrophobicContact CE1-CG 4.49Å; F19-V238 HydrophobicContact CE2-CG2 3.65Å; F19-V238 HydrophobicContact CZ-CG2 3.74Å
20T96.5Very high93.1Very high9 Ų960.7 Ų60.76%0.05528%0.283CS..EExtended strand (participates in β ladder)trans-151.9167.2177.2-162.90000112.2Y8 V9 L11 K26 E28 L37Y8-T20 CarbonylContact C-O 3.47Å; Y8-T20 WeakPolarHBondContact CA-O 3.49Å; V9-T20 HydrophobicContact CG2-CG2 3.99Å; V9-T20 PolarHBondContact N-O 2.97Å; V9-T20 PolarHBondContact O-N 3.15Å; L11-T20 HydrophobicContact CD1-CG2 4.43Å; L11-T20 HydrophobicContact CG-CG2 4.39Å; T20-K26 PolarHBondContact OG1-NZ 3.25Å; T20-E28 HydrophobicContact CG2-CG 4.38Å; T20-E28 PolarHBondContact OG1-OE1 3.2Å; T20-L37 HydrophobicContact CG2-CD1 3.77Å
21K96.3Very high92.7Very high99 Ų9964.4 Ų64.443%0.4330%0.303SS..EExtended strand (participates in β ladder)trans-98.4129.6172.7-165.8-179.9-175.1-176.90108.8G6 Y8 S23G6-K21 WeakPolarHBondContact O-CE 3.29Å; G6-K21 WeakPolarHBondContact O-CG 3.12Å; Y8-K21 HydrophobicContact CD1-CB 3.9Å; Y8-K21 HydrophobicContact CD1-CG 4.27Å; Y8-K21 HydrophobicContact CE1-CB 3.83Å; Y8-K21 HydrophobicContact CE1-CD 4.27Å; Y8-K21 HydrophobicContact CE1-CG 4.16Å; K21-S23 PolarHBondContact O-N 2.62Å
22I96.8Very high92.1Very high1 Ų167.8 Ų67.81%0.00534%0.337CS..  trans-61.3128.6175.5-65.8-75.7000108.8I3 G6 E7 V9 L37 I41I3-I22 HydrophobicContact CG2-CD1 3.78Å; I3-I22 HydrophobicContact CG2-CG1 3.72Å; I3-I22 HydrophobicContact CG2-CG2 4.43Å; G6-I22 VanDerWaalsContact CA-O 3.32Å; G6-I22 WeakPolarHBondContact CA-O 3.49Å; G6-I22 PolarHBondContact N-O 3.18Å; E7-I22 WeakPolarHBondContact O-CG1 3.44Å; E7-I22 PolarHBondContact O-N 3.34Å; V9-I22 HydrophobicContact CB-CG1 4.38Å; V9-I22 HydrophobicContact CG1-CD1 3.99Å; V9-I22 HydrophobicContact CG1-CG1 3.52Å; V9-I22 HydrophobicContact CG2-CD1 3.78Å; V9-I22 HydrophobicContact CG2-CG1 3.92Å; I22-L37 HydrophobicContact CD1-CB 4.06Å; I22-L37 HydrophobicContact CD1-CD1 3.82Å; I22-I41 HydrophobicContact CG2-CD1 4.19Å; I22-I41 HydrophobicContact CG2-CG1 3.74Å
23S96.6Very high91.8Very high30 Ų3069.7 Ų69.721%0.2134%0.344CS..  trans-147.4132.8172.3170.30000109.5E5 K21 E25 K26E5-S23 WeakPolarHBondContact OE1-CA 3.1Å; E5-S23 WeakPolarHBondContact OE2-CA 3.33Å; K21-S23 PolarHBondContact O-N 2.62Å; S23-E25 VanDerWaalsContact C-N 3.28Å; S23-E25 PolarHBondContact O-N 3.38Å; S23-E25 PolarHBondContact OG-N 3.5Å; S23-K26 PolarHBondContact OG-N 3.39Å
24S93.6Very high91.9Very high45 Ų4571 Ų7132%0.31536%0.355SS..SBendtrans-68.7-25.4176.855.40000113.3E5E5-S24 VanDerWaalsContact CD-N 3.32Å; E5-S24 PolarHBondContact OE1-N 3.27Å; E5-S24 PolarHBondContact OE1-OG 2.7Å; E5-S24 PolarHBondContact OE2-N 3.41Å
25E92.4Very high92.5Very high182 Ų18265 Ų6585%0.8533%0.327SS*.SBendtrans-93.8-23.8-177.7-59.8-178.9171.400112.9S23S23-E25 VanDerWaalsContact C-N 3.28Å; S23-E25 PolarHBondContact O-N 3.38Å; S23-E25 PolarHBondContact OG-N 3.5Å
26K94.3Very high93.3Very high94 Ų9458.1 Ų58.141%0.40930%0.296SS..  trans-87.1138.5-173.8-169.7-176.4174-156.30111.9T20 S23 E28T20-K26 PolarHBondContact OG1-NZ 3.25Å; S23-K26 PolarHBondContact OG-N 3.39Å; K26-E28 WeakPolarHBondContact CD-OE1 3.41Å; K26-E28 WeakPolarHBondContact CE-OE1 3.4Å; K26-E28 IonicContact NZ-OE1 3.95Å; K26-E28 PolarHBondContact NZ-OE1 3.12Å; K26-E28 IonicContact NZ-OE2 2.83Å
27R94.9Very high93.6Very high140 Ų14056.3 Ų56.353%0.52828%0.284SS..EExtended strand (participates in β ladder)trans-94.2136.9165.5-64.4-175.769.1-177.50.3110.8V34 F35R27-V34 HydrophobicContact CB-CG1 4.01Å; R27-V34 PolarHBondContact NH2-O 3.09Å; R27-F35 CarbonylContact C-O 3.59Å; R27-F35 WeakPolarHBondContact CA-O 3.42Å
28E94.6Very high93.8Very high4 Ų462.8 Ų62.82%0.01931%0.308CS..EExtended strand (participates in β ladder)trans-107.5129.5179.9-68.2-64.7173.200111.2K18 T20 K26 V34 F35 L37K18-E28 WeakPolarHBondContact CE-OE2 3.34Å; K18-E28 IonicContact NZ-OE2 3.91Å; K18-E28 PolarHBondContact NZ-OE2 3.29Å; T20-E28 HydrophobicContact CG2-CG 4.38Å; T20-E28 PolarHBondContact OG1-OE1 3.2Å; K26-E28 WeakPolarHBondContact CD-OE1 3.41Å; K26-E28 WeakPolarHBondContact CE-OE1 3.4Å; K26-E28 IonicContact NZ-OE1 3.95Å; K26-E28 PolarHBondContact NZ-OE1 3.12Å; K26-E28 IonicContact NZ-OE2 2.83Å; E28-V34 WeakPolarHBondContact O-CA 3.49Å; E28-F35 PolarHBondContact N-O 3.34Å; E28-F35 PolarHBondContact O-N 3.06Å; E28-L37 HydrophobicContact CG-CD1 3.74Å; E28-L37 HydrophobicContact CG-CG 3.96Å
29K94.5Very high93.8Very high147 Ų14762.8 Ų62.864%0.63931%0.311SS*.EExtended strand (participates in β ladder)trans-85.8118.3165.4-174.4177.9179.8178.80109.8K18 K33 V34K18-K29 WeakPolarHBondContact CD-O 3.37Å; K18-K29 PolarHBondContact NZ-O 3.01Å; K29-K33 CarbonylContact C-O 3.58Å; K29-K33 VanDerWaalsContact CA-O 3.28Å; K29-K33 WeakPolarHBondContact CA-O 3.22Å; K29-V34 HydrophobicContact CB-CG2 4.24Å; K29-V34 HydrophobicContact CG-CG2 4.22Å
30F93.2Very high93.8Very high12 Ų1261 Ų615%0.05330%0.303CS..EExtended strand (participates in β ladder)trans-148.4133.9176.7-177.2-116.2000110.2L11 K13 K18 G32 K33 F35 F149L11-F30 HydrophobicContact CB-CD1 4.19Å; L11-F30 HydrophobicContact CB-CD2 4.3Å; L11-F30 HydrophobicContact CB-CE1 4.06Å; L11-F30 HydrophobicContact CB-CE2 4.18Å; L11-F30 HydrophobicContact CB-CG 4.31Å; L11-F30 HydrophobicContact CB-CZ 4.05Å; L11-F30 HydrophobicContact CD1-CB 4.11Å; L11-F30 HydrophobicContact CD1-CD1 4.35Å; L11-F30 HydrophobicContact CD1-CD2 4.5Å; L11-F30 HydrophobicContact CD1-CG 4.07Å; K13-F30 HydrophobicContact CB-CE1 3.99Å; K13-F30 HydrophobicContact CB-CZ 3.97Å; K18-F30 HydrophobicContact CB-CD2 3.63Å; K18-F30 HydrophobicContact CB-CE2 3.91Å; K18-F30 HydrophobicContact CD-CD2 4.38Å; F30-G32 VanDerWaalsContact C-N 3.28Å; F30-G32 PolarHBondContact O-N 3.3Å; F30-K33 PolarHBondContact N-O 3.37Å; F30-K33 PolarHBondContact O-N 3.01Å; F30-F35 HydrophobicContact CB-CE1 3.92Å; F30-F35 HydrophobicContact CB-CZ 3.73Å; F30-F35 HydrophobicContact CD1-CZ 4.11Å; F30-F35 HydrophobicContact CG-CZ 4.39Å; F30-F149 HydrophobicContact CD1-CB 4.35Å; F30-F149 HydrophobicContact CD1-CG 4.29Å; F30-F149 HydrophobicContact CE1-CB 3.68Å; F30-F149 HydrophobicContact CE1-CD2 4.43Å; F30-F149 HydrophobicContact CE1-CG 4.08Å
31D87.2Confident93.9Very high79 Ų7963.4 Ų63.442%0.42232%0.315SS..THydrogen-bonded Turntrans47.946.3-178.4-166.448.4000114.2K13 K33K13-D31 HydrophobicContact CD-CB 4.29Å; K13-D31 WeakPolarHBondContact CD-OD2 3.26Å; K13-D31 WeakPolarHBondContact CE-OD2 3.45Å; K13-D31 IonicContact NZ-OD2 2.64Å; K13-D31 PolarHBondContact NZ-OD2 2.97Å; D31-K33 PolarHBondContact O-N 3.48Å; D31-K33 VanDerWaalsContact O-N 3.09Å
32G84.9Confident93.9Very high70 Ų7060.8 Ų60.872%0.72232%0.316SS*.THydrogen-bonded Turntrans74.3-8.8-179.400000115.7F30F30-G32 VanDerWaalsContact C-N 3.28Å; F30-G32 PolarHBondContact O-N 3.3Å
33K87Confident93.9Very high73 Ų7361.8 Ų61.832%0.31732%0.322SS..EExtended strand (participates in β ladder)trans-99156.1178.1-60.2-173.6-179.3-175.60111.7K29 F30 D31 F35 V51K29-K33 CarbonylContact C-O 3.58Å; K29-K33 VanDerWaalsContact CA-O 3.28Å; K29-K33 WeakPolarHBondContact CA-O 3.22Å; F30-K33 PolarHBondContact N-O 3.37Å; F30-K33 PolarHBondContact O-N 3.01Å; D31-K33 PolarHBondContact O-N 3.48Å; D31-K33 VanDerWaalsContact O-N 3.09Å; K33-F35 HydrophobicContact CB-CD1 3.94Å; K33-F35 HydrophobicContact CB-CE1 4.18Å; K33-V51 HydrophobicContact CB-CG1 4.48Å; K33-V51 HydrophobicContact CD-CB 3.76Å; K33-V51 HydrophobicContact CD-CG1 3.79Å; K33-V51 HydrophobicContact CD-CG2 4.01Å
34V92.5Very high93.9Very high64 Ų6463.5 Ų63.539%0.38833%0.332SS..EExtended strand (participates in β ladder)trans-125.3111.5176.5-175.90000109.7R27 E28 K29R27-V34 HydrophobicContact CB-CG1 4.01Å; R27-V34 PolarHBondContact NH2-O 3.09Å; E28-V34 WeakPolarHBondContact O-CA 3.49Å; K29-V34 HydrophobicContact CB-CG2 4.24Å; K29-V34 HydrophobicContact CG-CG2 4.22Å
35F93.7Very high94Very high1 Ų163 Ų630%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-141.8162.2-172.352.5-97.7000112.6L11 R27 E28 F30 K33 L37 V51 D54 I56 F149L11-F35 HydrophobicContact CD1-CZ 4.47Å; R27-F35 CarbonylContact C-O 3.59Å; R27-F35 WeakPolarHBondContact CA-O 3.42Å; E28-F35 PolarHBondContact N-O 3.34Å; E28-F35 PolarHBondContact O-N 3.06Å; F30-F35 HydrophobicContact CB-CE1 3.92Å; F30-F35 HydrophobicContact CB-CZ 3.73Å; F30-F35 HydrophobicContact CD1-CZ 4.11Å; F30-F35 HydrophobicContact CG-CZ 4.39Å; K33-F35 HydrophobicContact CB-CD1 3.94Å; K33-F35 HydrophobicContact CB-CE1 4.18Å; F35-L37 HydrophobicContact CD2-CD2 4.22Å; F35-L37 HydrophobicContact CE2-CD2 3.74Å; F35-V51 HydrophobicContact CB-CG1 4.04Å; F35-V51 HydrophobicContact CD1-CB 4.5Å; F35-V51 HydrophobicContact CD1-CG1 3.9Å; F35-V51 HydrophobicContact CD1-CG2 3.71Å; F35-V51 HydrophobicContact CE1-CG2 3.79Å; F35-V51 HydrophobicContact CG-CG1 4.22Å; F35-V51 HydrophobicContact CG-CG2 4.25Å; F35-V51 HydrophobicContact CZ-CG2 4.38Å; F35-D54 CarbonylContact C-O 3.55Å; F35-D54 WeakPolarHBondContact CA-O 3.09Å; F35-D54 WeakPolarHBondContact CB-O 3.36Å; F35-I56 HydrophobicContact CB-CG2 4.03Å; F35-I56 HydrophobicContact CD2-CG2 3.35Å; F35-I56 HydrophobicContact CE2-CG2 3.9Å; F35-I56 HydrophobicContact CG-CG2 3.78Å; F35-F149 HydrophobicContact CD2-CZ 4.48Å; F35-F149 HydrophobicContact CE1-CE1 4.47Å; F35-F149 HydrophobicContact CE2-CE1 4.05Å; F35-F149 HydrophobicContact CE2-CE2 4.29Å; F35-F149 AromaticContact CE2-CZ 3.64Å; F35-F149 HydrophobicContact CE2-CZ 3.64Å; F35-F149 HydrophobicContact CZ-CD1 4.44Å; F35-F149 AromaticContact CZ-CE1 3.85Å; F35-F149 HydrophobicContact CZ-CE1 3.85Å; F35-F149 HydrophobicContact CZ-CE2 4.38Å; F35-F149 AromaticContact CZ-CZ 3.82Å; F35-F149 HydrophobicContact CZ-CZ 3.82Å
36S95.7Very high94Very high13 Ų1356 Ų569%0.09130%0.301CS..EExtended strand (participates in β ladder)trans-87140.9172.3-1800000111.3R38 D54S36-R38 VanDerWaalsContact C-N 3.32Å; S36-R38 VanDerWaalsContact OG-CB 3.31Å; S36-R38 WeakPolarHBondContact OG-CB 3.4Å; S36-R38 PolarHBondContact OG-N 2.93Å; S36-R38 VanDerWaalsContact OG-N 3.15Å; S36-D54 PolarHBondContact N-O 3.25Å
37L96.5Very high94.1Very high0 Ų052.9 Ų52.90%029%0.291CS..  trans-88.13.5172-69.5-178.7000113.2L11 T20 I22 E28 F35 N39 A40 I56 F149L11-L37 HydrophobicContact CD1-CD1 4.38Å; L11-L37 HydrophobicContact CD1-CD2 4.42Å; L11-L37 HydrophobicContact CD2-CD1 4.08Å; L11-L37 HydrophobicContact CD2-CD2 3.99Å; T20-L37 HydrophobicContact CG2-CD1 3.77Å; I22-L37 HydrophobicContact CD1-CB 4.06Å; I22-L37 HydrophobicContact CD1-CD1 3.82Å; E28-L37 HydrophobicContact CG-CD1 3.74Å; E28-L37 HydrophobicContact CG-CG 3.96Å; F35-L37 HydrophobicContact CD2-CD2 4.22Å; F35-L37 HydrophobicContact CE2-CD2 3.74Å; L37-N39 PolarHBondContact O-N 2.79Å; L37-N39 VanDerWaalsContact O-N 3.15Å; L37-A40 WeakPolarHBondContact O-CB 3.3Å; L37-A40 PolarHBondContact O-N 3.44Å; L37-I56 HydrophobicContact CD2-CD1 3.83Å; L37-F149 HydrophobicContact CD2-CE2 4.46Å
38R96.6Very high94Very high161 Ų16147.8 Ų47.861%0.60828%0.276SS*.G310 helixtrans-49.7-43.1-178.4179.1179.5176.81780.1113S36 A40 I41S36-R38 VanDerWaalsContact C-N 3.32Å; S36-R38 VanDerWaalsContact OG-CB 3.31Å; S36-R38 WeakPolarHBondContact OG-CB 3.4Å; S36-R38 PolarHBondContact OG-N 2.93Å; S36-R38 VanDerWaalsContact OG-N 3.15Å; R38-A40 PolarHBondContact O-N 3.08Å; R38-I41 WeakPolarHBondContact O-CB 3.39Å; R38-I41 WeakPolarHBondContact O-CG1 3.42Å; R38-I41 PolarHBondContact O-N 3.28Å
39N95.9Very high94Very high56 Ų5647.6 Ų47.630%0.29928%0.275SS..G310 helixtrans-76.8-3.9-177.4-64.4-9.5000114.1L37 V43 I56L37-N39 PolarHBondContact O-N 2.79Å; L37-N39 VanDerWaalsContact O-N 3.15Å; N39-V43 WeakPolarHBondContact O-CG2 3.43Å; N39-I56 HydrophobicContact CB-CG1 3.96Å; N39-I56 VanDerWaalsContact CB-O 3.24Å; N39-I56 WeakPolarHBondContact CB-O 3.29Å; N39-I56 PolarHBondContact ND2-O 3.43Å
40A96.6Very high93.8Very high0 Ų041.9 Ų41.90%025%0.253CS..G310 helixtrans-82.2-19.816900000112.2I3 L37 R38 G42 V43 F49 I56I3-A40 WeakPolarHBondContact CB-O 3.36Å; I3-A40 HydrophobicContact CD1-CB 4.16Å; L37-A40 WeakPolarHBondContact O-CB 3.3Å; L37-A40 PolarHBondContact O-N 3.44Å; R38-A40 PolarHBondContact O-N 3.08Å; A40-G42 PolarHBondContact O-N 3.36Å; A40-V43 VanDerWaalsContact O-CB 3.28Å; A40-V43 WeakPolarHBondContact O-CB 3.48Å; A40-V43 PolarHBondContact O-N 3.39Å; A40-F49 HydrophobicContact CB-CE1 4.06Å; A40-F49 HydrophobicContact CB-CE2 4.38Å; A40-F49 HydrophobicContact CB-CZ 3.74Å; A40-I56 HydrophobicContact CB-CD1 3.9Å
41I97.3Very high93.5Very high61 Ų6142.2 Ų42.231%0.31326%0.256SS..THydrogen-bonded Turntrans-64.1131.1180-58.4167.2000109.4E5 I22 R38 V43E5-I41 WeakPolarHBondContact OE2-CD1 3.35Å; I22-I41 HydrophobicContact CG2-CD1 4.19Å; I22-I41 HydrophobicContact CG2-CG1 3.74Å; R38-I41 WeakPolarHBondContact O-CB 3.39Å; R38-I41 WeakPolarHBondContact O-CG1 3.42Å; R38-I41 PolarHBondContact O-N 3.28Å; I41-V43 PolarHBondContact O-N 3.06Å
42G96.8Very high93.3Very high43 Ų4341.9 Ų41.944%0.44326%0.26SS..THydrogen-bonded Turntrans80.6-1.8-176.100000114.4L2 I3 A40L2-G42 WeakPolarHBondContact CD2-O 3.36Å; I3-G42 PolarHBondContact O-N 3.21Å; A40-G42 PolarHBondContact O-N 3.36Å
43V96.5Very high93.3Very high23 Ų2342 Ų4214%0.13926%0.261CS..SBendtrans-91.4145.2174.9-174.20000109.7I3 N39 A40 I41 S47 F49 P58I3-V43 WeakPolarHBondContact CG1-O 3.29Å; I3-V43 PolarHBondContact N-O 3.14Å; N39-V43 WeakPolarHBondContact O-CG2 3.43Å; A40-V43 VanDerWaalsContact O-CB 3.28Å; A40-V43 WeakPolarHBondContact O-CB 3.48Å; A40-V43 PolarHBondContact O-N 3.39Å; I41-V43 PolarHBondContact O-N 3.06Å; V43-S47 WeakPolarHBondContact CG1-OG 3.4Å; V43-F49 HydrophobicContact CB-CZ 3.98Å; V43-F49 HydrophobicContact CG1-CE1 4.38Å; V43-F49 HydrophobicContact CG1-CZ 3.73Å; V43-F49 HydrophobicContact CG2-CE1 4.33Å; V43-F49 HydrophobicContact CG2-CZ 4.24Å; V43-P58 HydrophobicContact CG1-CB 4.42Å
44P96.6Very high93.3Very high65 Ų6541.8 Ų41.842%0.42226%0.264SS..BIsolated β-bridgetrans-61.5143.1176.5-23.534000113L2 S47L2-P44 HydrophobicContact CD2-CB 4.3Å; L2-P44 HydrophobicContact CD2-CG 3.77Å; P44-S47 VanDerWaalsContact O-CB 3.25Å; P44-S47 WeakPolarHBondContact O-CB 3.31Å; P44-S47 PolarHBondContact O-N 3.35Å; P44-S47 PolarHBondContact O-OG 3.29Å
45F96Very high93.2Very high36 Ų3641.6 Ų41.616%0.15826%0.258CS..THydrogen-bonded Turntrans-55.2145.1165.3-79.9-71.7000111.8M1 I3 E7 V9 S47 K153M1-F45 HydrophobicContact CB-CD2 4.33Å; M1-F45 HydrophobicContact CG-CD2 4.33Å; M1-F45 HydrophobicContact CG-CE2 4.39Å; M1-F45 PolarHBondContact O-N 2.97Å; I3-F45 HydrophobicContact CB-CZ 4.44Å; I3-F45 HydrophobicContact CD1-CD1 4.42Å; I3-F45 HydrophobicContact CG1-CD1 3.78Å; I3-F45 HydrophobicContact CG1-CD2 4.15Å; I3-F45 HydrophobicContact CG1-CE1 3.73Å; I3-F45 HydrophobicContact CG1-CE2 4.07Å; I3-F45 HydrophobicContact CG1-CG 4.02Å; I3-F45 HydrophobicContact CG1-CZ 3.86Å; E7-F45 HydrophobicContact CG-CZ 4.25Å; E7-F45 WeakPolarHBondContact OE1-CE2 3.16Å; E7-F45 WeakPolarHBondContact OE1-CZ 3.29Å; E7-F45 VanDerWaalsContact OE2-CE2 3.28Å; E7-F45 WeakPolarHBondContact OE2-CE2 3.37Å; E7-F45 WeakPolarHBondContact OE2-CZ 3.44Å; V9-F45 HydrophobicContact CB-CE1 4.48Å; V9-F45 HydrophobicContact CG1-CE1 3.7Å; V9-F45 HydrophobicContact CG1-CZ 4.13Å; F45-S47 VanDerWaalsContact C-N 3.27Å; F45-K153 HydrophobicContact CB-CB 4.4Å; F45-K153 HydrophobicContact CD1-CB 3.69Å; F45-K153 HydrophobicContact CD2-CB 4.25Å; F45-K153 HydrophobicContact CD2-CD 4.36Å; F45-K153 HydrophobicContact CE1-CB 3.89Å; F45-K153 HydrophobicContact CE1-CG 4.44Å; F45-K153 HydrophobicContact CE2-CB 4.47Å; F45-K153 HydrophobicContact CE2-CD 4.26Å; F45-K153 HydrophobicContact CG-CB 3.86Å; F45-K153 HydrophobicContact CZ-CB 4.29Å; F45-K153 HydrophobicContact CZ-CG 4.42Å
46G93.5Very high93.2Very high33 Ų3341.5 Ų41.534%0.3426%0.258SS..THydrogen-bonded Turntrans85.4-4.5-174.600000114V151 E152G46-V151 PolarHBondContact N-O 2.83Å; G46-E152 WeakPolarHBondContact CA-OE1 3.43Å; G46-E152 WeakPolarHBondContact CA-OE2 3.01Å
47S94.8Very high93.1Very high29 Ų2944.8 Ų44.820%0.20327%0.272CS..  trans-67.9142.9175.6-60.20000111.3V43 P44 F45 F49 S150 V151V43-S47 WeakPolarHBondContact CG1-OG 3.4Å; P44-S47 VanDerWaalsContact O-CB 3.25Å; P44-S47 WeakPolarHBondContact O-CB 3.31Å; P44-S47 PolarHBondContact O-N 3.35Å; P44-S47 PolarHBondContact O-OG 3.29Å; F45-S47 VanDerWaalsContact C-N 3.27Å; S47-F49 WeakPolarHBondContact O-CD2 3.36Å; S47-F49 WeakPolarHBondContact O-CE2 3.43Å; S47-S150 WeakPolarHBondContact O-CA 3.47Å; S47-V151 PolarHBondContact O-N 3.5Å; S47-V151 VanDerWaalsContact O-N 3.14Å
48T93.8Very high92.9Very high34 Ų3448.3 Ų48.321%0.20930%0.295CS..EExtended strand (participates in β ladder)trans-96.3141.4175.5-58.60000110.5I59 I64 L148 F149T48-I59 PolarHBondContact O-N 2.9Å; T48-I64 HydrophobicContact CG2-CD1 3.57Å; T48-L148 HydrophobicContact CG2-CB 3.95Å; T48-L148 HydrophobicContact CG2-CD2 4.36Å; T48-F149 CarbonylContact C-O 3.54Å; T48-F149 WeakPolarHBondContact CA-O 3.43Å
49F93.7Very high92.5Very high0 Ų042.6 Ų42.60%028%0.276CS..EExtended strand (participates in β ladder)trans-125144.1-178.1-64.2-98.4000111.2A40 V43 S47 I56 H57 P58 L148 F149 V151A40-F49 HydrophobicContact CB-CE1 4.06Å; A40-F49 HydrophobicContact CB-CE2 4.38Å; A40-F49 HydrophobicContact CB-CZ 3.74Å; V43-F49 HydrophobicContact CB-CZ 3.98Å; V43-F49 HydrophobicContact CG1-CE1 4.38Å; V43-F49 HydrophobicContact CG1-CZ 3.73Å; V43-F49 HydrophobicContact CG2-CE1 4.33Å; V43-F49 HydrophobicContact CG2-CZ 4.24Å; S47-F49 WeakPolarHBondContact O-CD2 3.36Å; S47-F49 WeakPolarHBondContact O-CE2 3.43Å; F49-I56 HydrophobicContact CB-CB 4.28Å; F49-I56 HydrophobicContact CD1-CB 4.21Å; F49-I56 HydrophobicContact CD1-CD1 3.78Å; F49-I56 HydrophobicContact CD1-CG1 3.94Å; F49-I56 HydrophobicContact CE1-CD1 4.11Å; F49-I56 HydrophobicContact CE1-CG1 4.45Å; F49-I56 HydrophobicContact CG-CD1 4.19Å; F49-H57 VanDerWaalsContact CA-O 3.26Å; F49-H57 WeakPolarHBondContact CA-O 3.42Å; F49-P58 HydrophobicContact CD1-CB 4.22Å; F49-P58 HydrophobicContact CE1-CB 3.98Å; F49-L148 WeakPolarHBondContact O-CA 3.17Å; F49-F149 HydrophobicContact CB-CD1 4.41Å; F49-F149 HydrophobicContact CB-CE1 3.83Å; F49-F149 HydrophobicContact CB-CE2 4.27Å; F49-F149 HydrophobicContact CB-CZ 3.75Å; F49-F149 HydrophobicContact CD2-CE2 4.48Å; F49-F149 HydrophobicContact CG-CZ 4.37Å; F49-F149 PolarHBondContact N-O 2.83Å; F49-F149 PolarHBondContact O-N 3.49Å; F49-F149 VanDerWaalsContact O-N 3.11Å; F49-V151 HydrophobicContact CD2-CG2 3.74Å; F49-V151 HydrophobicContact CE2-CB 4.04Å; F49-V151 HydrophobicContact CE2-CG2 3.59Å
50S90.2Very high91.9Very high26 Ų2647.7 Ų47.718%0.18230%0.295CS..EExtended strand (participates in β ladder)trans-97.5149159.949.90000110.9I56 H57 I59S50-I56 WeakPolarHBondContact O-CA 3.4Å; S50-H57 PolarHBondContact N-O 2.65Å; S50-H57 PolarHBondContact O-N 2.95Å; S50-I59 VanDerWaalsContact OG-CD1 3.23Å; S50-I59 WeakPolarHBondContact OG-CD1 3.37Å
51V88.3Confident90.8Very high19 Ų1953.6 Ų53.612%0.11532%0.323CS..EExtended strand (participates in β ladder)trans-94.4122.2169.9-173.20000109.8K33 F35 I56 F149K33-V51 HydrophobicContact CB-CG1 4.48Å; K33-V51 HydrophobicContact CD-CB 3.76Å; K33-V51 HydrophobicContact CD-CG1 3.79Å; K33-V51 HydrophobicContact CD-CG2 4.01Å; F35-V51 HydrophobicContact CB-CG1 4.04Å; F35-V51 HydrophobicContact CD1-CB 4.5Å; F35-V51 HydrophobicContact CD1-CG1 3.9Å; F35-V51 HydrophobicContact CD1-CG2 3.71Å; F35-V51 HydrophobicContact CE1-CG2 3.79Å; F35-V51 HydrophobicContact CG-CG1 4.22Å; F35-V51 HydrophobicContact CG-CG2 4.25Å; F35-V51 HydrophobicContact CZ-CG2 4.38Å; V51-I56 HydrophobicContact CG2-CG2 4.27Å; V51-F149 HydrophobicContact CG2-CD1 4.12Å; V51-F149 HydrophobicContact CG2-CE1 3.65Å
52S83.4Confident89.5Confident73 Ų7356.5 Ų56.551%0.5134%0.335SS..EExtended strand (participates in β ladder)trans-121.2112.1170.3-170.90000109D54 Q55S52-D54 PolarHBondContact O-N 2.78Å; S52-Q55 PolarHBondContact N-O 2.83Å; S52-Q55 PolarHBondContact O-N 2.92Å; S52-Q55 VanDerWaalsContact O-N 3.08Å
53G83.5Confident88Confident72 Ų7257.7 Ų57.774%0.74234%0.336SS*.THydrogen-bonded Turntrans60-117.8-170.800000111.9
54D88Confident86.6Confident69 Ų6958.4 Ų58.437%0.36934%0.339SS..THydrogen-bonded Turntrans-105.4417773.1-11.4000114F35 S36 S52F35-D54 CarbonylContact C-O 3.55Å; F35-D54 WeakPolarHBondContact CA-O 3.09Å; F35-D54 WeakPolarHBondContact CB-O 3.36Å; S36-D54 PolarHBondContact N-O 3.25Å; S52-D54 PolarHBondContact O-N 2.78Å
55Q90.8Very high85Confident59 Ų5958.9 Ų58.928%0.27634%0.337SS..EExtended strand (participates in β ladder)trans-108.3157178.5-58.8-53.5-5300111.1S52S52-Q55 PolarHBondContact N-O 2.83Å; S52-Q55 PolarHBondContact O-N 2.92Å; S52-Q55 VanDerWaalsContact O-N 3.08Å
56I93.5Very high83.2Confident0 Ų059.3 Ų59.30%034%0.341CS..EExtended strand (participates in β ladder)trans-112.4147.5172.368.8175.8000109.6F35 L37 N39 A40 F49 S50 V51 F149F35-I56 HydrophobicContact CB-CG2 4.03Å; F35-I56 HydrophobicContact CD2-CG2 3.35Å; F35-I56 HydrophobicContact CE2-CG2 3.9Å; F35-I56 HydrophobicContact CG-CG2 3.78Å; L37-I56 HydrophobicContact CD2-CD1 3.83Å; N39-I56 HydrophobicContact CB-CG1 3.96Å; N39-I56 VanDerWaalsContact CB-O 3.24Å; N39-I56 WeakPolarHBondContact CB-O 3.29Å; N39-I56 PolarHBondContact ND2-O 3.43Å; A40-I56 HydrophobicContact CB-CD1 3.9Å; F49-I56 HydrophobicContact CB-CB 4.28Å; F49-I56 HydrophobicContact CD1-CB 4.21Å; F49-I56 HydrophobicContact CD1-CD1 3.78Å; F49-I56 HydrophobicContact CD1-CG1 3.94Å; F49-I56 HydrophobicContact CE1-CD1 4.11Å; F49-I56 HydrophobicContact CE1-CG1 4.45Å; F49-I56 HydrophobicContact CG-CD1 4.19Å; S50-I56 WeakPolarHBondContact O-CA 3.4Å; V51-I56 HydrophobicContact CG2-CG2 4.27Å; I56-F149 HydrophobicContact CB-CZ 4.35Å; I56-F149 HydrophobicContact CD1-CZ 4.17Å; I56-F149 HydrophobicContact CG2-CE1 4.03Å; I56-F149 HydrophobicContact CG2-CZ 3.87Å
57H92.1Very high81.2Confident82 Ų8264.2 Ų64.238%0.3836%0.358SS..EExtended strand (participates in β ladder)trans-131.4131.2178.4-57.4-75.3000109.3F49 S50 I59F49-H57 VanDerWaalsContact CA-O 3.26Å; F49-H57 WeakPolarHBondContact CA-O 3.42Å; S50-H57 PolarHBondContact N-O 2.65Å; S50-H57 PolarHBondContact O-N 2.95Å; H57-I59 PolarHBondContact O-N 2.86Å
58P92.5Very high79.2Confident74 Ų7466.4 Ų66.448%0.48137%0.365SS..EExtended strand (participates in β ladder)trans-64.5136.1175.427.8-33.5000109.5V43 F49V43-P58 HydrophobicContact CG1-CB 4.42Å; F49-P58 HydrophobicContact CD1-CB 4.22Å; F49-P58 HydrophobicContact CE1-CB 3.98Å
59I88.7Confident77.1Confident41 Ų4167.7 Ų67.721%0.2137%0.37CS..EExtended strand (participates in β ladder)trans-108.8135179.3-74.5-174000109.2T48 S50 H57 S63 I64 L148T48-I59 PolarHBondContact O-N 2.9Å; S50-I59 VanDerWaalsContact OG-CD1 3.23Å; S50-I59 WeakPolarHBondContact OG-CD1 3.37Å; H57-I59 PolarHBondContact O-N 2.86Å; I59-S63 WeakPolarHBondContact CG2-OG 3.3Å; I59-I64 HydrophobicContact CB-CD1 4.36Å; I59-I64 HydrophobicContact CG2-CD1 3.71Å; I59-I64 HydrophobicContact CG2-CG1 3.49Å; I59-I64 VanDerWaalsContact CG2-CG1 3.49Å; I59-L148 HydrophobicContact CD1-CD2 3.4Å; I59-L148 VanDerWaalsContact CD1-CD2 3.4Å
60K83.2Confident74.8Confident163 Ų16370.6 Ų70.671%0.70939%0.389SS*.  trans-68.3134.7174.1-70.4-171.4179.3-177.70110.4E62 S63K60-E62 WeakPolarHBondContact CB-OE2 3.41Å; K60-E62 PolarHBondContact O-N 2.93Å; K60-E62 VanDerWaalsContact O-N 3.14Å; K60-S63 PolarHBondContact O-N 3.27Å; K60-S63 PolarHBondContact O-OG 2.9Å
61H73.9Confident72.8Confident124 Ų12473 Ų7357%0.57440%0.404SS*.Hα-helixtrans-54.9-36.4-176.5-175.1-101.2000113S63 I64 I65H61-S63 PolarHBondContact O-N 3.08Å; H61-I64 PolarHBondContact O-N 2.97Å; H61-I64 VanDerWaalsContact O-N 3.1Å; H61-I65 WeakPolarHBondContact CE1-CD1 3.4Å; H61-I65 WeakPolarHBondContact NE2-CD1 3.42Å; H61-I65 PolarHBondContact O-N 3.05Å; H61-I65 VanDerWaalsContact O-N 3.14Å
62E69.2Low70.9Confident122 Ų12279.1 Ų79.157%0.5744%0.436SS*.Hα-helixtrans-64.2-21.5178.6-5686.3174.600113.8K60K60-E62 WeakPolarHBondContact CB-OE2 3.41Å; K60-E62 PolarHBondContact O-N 2.93Å; K60-E62 VanDerWaalsContact O-N 3.14Å
63S66.6Low69.2Low67 Ų6778.9 Ų78.947%0.46943%0.429SS..Hα-helixtrans-84.2-21.1176.963.90000113I59 K60 H61 K142I59-S63 WeakPolarHBondContact CG2-OG 3.3Å; K60-S63 PolarHBondContact O-N 3.27Å; K60-S63 PolarHBondContact O-OG 2.9Å; H61-S63 PolarHBondContact O-N 3.08Å; S63-K142 PolarHBondContact O-NZ 3.02Å; S63-K142 VanDerWaalsContact O-NZ 3.16Å
64I66.4Low67.5Low39 Ų3983.4 Ų83.420%0.243%0.431CS..Hα-helixtrans-84.1-49.2179.1-56.8167.6000109T48 I59 H61 D66 K142 L148T48-I64 HydrophobicContact CG2-CD1 3.57Å; I59-I64 HydrophobicContact CB-CD1 4.36Å; I59-I64 HydrophobicContact CG2-CD1 3.71Å; I59-I64 HydrophobicContact CG2-CG1 3.49Å; I59-I64 VanDerWaalsContact CG2-CG1 3.49Å; H61-I64 PolarHBondContact O-N 2.97Å; H61-I64 VanDerWaalsContact O-N 3.1Å; I64-D66 PolarHBondContact O-N 2.97Å; I64-K142 PolarHBondContact O-NZ 2.95Å; I64-L148 HydrophobicContact CD1-CD1 4.49Å; I64-L148 HydrophobicContact CG1-CD1 4.09Å; I64-L148 HydrophobicContact CG2-CD1 3.88Å
65I62.6Low65.6Low75 Ų7589.7 Ų89.739%0.38546%0.458SS..SBendtrans-78.4120.9178.6-56.8-161.2000109.1H61 I67H61-I65 WeakPolarHBondContact CE1-CD1 3.4Å; H61-I65 WeakPolarHBondContact NE2-CD1 3.42Å; H61-I65 PolarHBondContact O-N 3.05Å; H61-I65 VanDerWaalsContact O-N 3.14Å; I65-I67 PolarHBondContact O-N 3.3Å
66D58Low63.3Low45 Ų4595.1 Ų95.124%0.24148%0.481CS..  trans-62.5105.9164.3-66.6-32.9000107.2I64 E68 L138 K142I64-D66 PolarHBondContact O-N 2.97Å; D66-E68 PolarHBondContact O-N 3.13Å; D66-L138 WeakPolarHBondContact OD2-CB 3.37Å; D66-K142 WeakPolarHBondContact OD1-CE 3.43Å; D66-K142 IonicContact OD1-NZ 3.51Å; D66-K142 PolarHBondContact OD1-NZ 3.38Å
67I52.2Low61Low136 Ų136101.9 Ų101.970%0.69751%0.507SS*.PPolyproline II helixtrans-51.9119.4-178.9-62.3173.7000108.1I65I65-I67 PolarHBondContact O-N 3.3Å
68E53.8Low58.5Low74 Ų74100.9 Ų100.935%0.34652%0.519SS..PPolyproline II helixtrans-65.7132.6-174.9-58-179.4148.400109.6D66 P70 L399 P400D66-E68 PolarHBondContact O-N 3.13Å; E68-P70 VanDerWaalsContact O-CD 3.27Å; E68-P70 WeakPolarHBondContact O-CD 3.42Å; E68-L399 WeakPolarHBondContact OE1-CD2 3.42Å; E68-P400 HydrophobicContact CB-CG 4.24Å; E68-P400 HydrophobicContact CG-CG 4.47Å; E68-P400 WeakPolarHBondContact OE1-CD 3.14Å; E68-P400 WeakPolarHBondContact OE2-CD 3.37Å; E68-P400 WeakPolarHBondContact OE2-CG 3.34Å
69I49.5Very low56.1Low61 Ų61100.4 Ų100.431%0.31353%0.528SS..PPolyproline II helixtrans-65.1119.1166.2-60.4167.2000105.7Y77 L131I69-Y77 HydrophobicContact CG2-CD2 3.82Å; I69-Y77 HydrophobicContact CG2-CE2 4.17Å; I69-Y77 HydrophobicContact CG2-CG 4.19Å; I69-L131 HydrophobicContact CD1-CD1 3.96Å; I69-L131 HydrophobicContact CD1-CD2 4.49Å
70P45.2Very low54.5Low61 Ų61104 Ų10440%0.39655%0.551SS.*PPolyproline II helixtrans-61.2136.3176.7-18.330.8000108.8E68 N72 N73E68-P70 VanDerWaalsContact O-CD 3.27Å; E68-P70 WeakPolarHBondContact O-CD 3.42Å; P70-N72 PolarHBondContact O-N 2.98Å; P70-N73 PolarHBondContact O-N 2.94Å
71P47.9Very low53.2Low76 Ų76103 Ų10349%0.49455%0.549SS..THydrogen-bonded Turntrans-60.5-15.4-178.321-30.2000113.6
72N48.4Very low53Low148 Ų148102.7 Ų102.779%0.79156%0.561SS**THydrogen-bonded Turntrans-106.418-175.6-72.72.4000115.1P70P70-N72 PolarHBondContact O-N 2.98Å
73N47.5Very low53.6Low69 Ų69100.8 Ų100.837%0.36955%0.551SS.*  trans-102.749.4175.2-81.8-12.5000112.7P70 E75 K76 Y77P70-N73 PolarHBondContact O-N 2.94Å; N73-E75 PolarHBondContact O-N 2.94Å; N73-K76 HydrophobicContact CB-CB 4.47Å; N73-K76 PolarHBondContact O-N 3.36Å; N73-Y77 HydrophobicContact CB-CD2 4.02Å; N73-Y77 HydrophobicContact CB-CE2 4.45Å; N73-Y77 PolarHBondContact O-N 2.88Å
74E47.8Very low54.5Low166 Ų166100 Ų10078%0.77654%0.541SS*.THydrogen-bonded Turntrans-55.7-33.8172.9-69.7-168.6160.400112.1K76E74-K76 PolarHBondContact O-N 3.43Å
75E47.5Very low55.7Low202 Ų202104.1 Ų104.194%0.94456%0.564SS**THydrogen-bonded Turntrans-74.7-18.3-178.2-68.8-173.9161.500114.5N73N73-E75 PolarHBondContact O-N 2.94Å
76K42.9Very low57.1Low173 Ų173109.7 Ų109.775%0.75258%0.58SS**THydrogen-bonded Turntrans-109.4-20.5-175.9-126.4179.6-175.1178.50114.3N73 E74N73-K76 HydrophobicContact CB-CB 4.47Å; N73-K76 PolarHBondContact O-N 3.36Å; E74-K76 PolarHBondContact O-N 3.43Å
77Y45.6Very low58.6Low141 Ų141113.7 Ų113.755%0.55360%0.601SS**THydrogen-bonded Turntrans-120.827.6-177.2-69.7-77.2000113.4I69 N73I69-Y77 HydrophobicContact CG2-CD2 3.82Å; I69-Y77 HydrophobicContact CG2-CE2 4.17Å; I69-Y77 HydrophobicContact CG2-CG 4.19Å; N73-Y77 HydrophobicContact CB-CD2 4.02Å; N73-Y77 HydrophobicContact CB-CE2 4.45Å; N73-Y77 PolarHBondContact O-N 2.88Å
78G38.5Very low60.3Low62 Ų62109.3 Ų109.364%0.63958%0.579SS**THydrogen-bonded Turntrans40.392.7164.200000114.1V80G78-V80 PolarHBondContact O-N 3.2Å
79G43.1Very low62Low64 Ų64114 Ų11466%0.6660%0.598SS**SBendtrans19.493.217300000114.3E81G79-E81 PolarHBondContact O-N 3.49Å
80V53.6Low63.7Low115 Ų115121.1 Ų121.170%0.69762%0.622SS**  trans-31.8101.1-179.1-177.20000109.1G78 S82 L131G78-V80 PolarHBondContact O-N 3.2Å; V80-S82 PolarHBondContact O-N 3.16Å; V80-L131 HydrophobicContact CG1-CD1 4.43Å
81E56Low65.8Low143 Ų143120.8 Ų120.867%0.66862%0.622SS**  trans-50.4122.3175.1-81.5-172.5156.900105.6G79 K83G79-E81 PolarHBondContact O-N 3.49Å; E81-K83 HydrophobicContact CB-CG 4.19Å; E81-K83 PolarHBondContact O-N 3.47Å; E81-K83 WeakPolarHBondContact OE2-CE 3.46Å; E81-K83 IonicContact OE2-NZ 3.81Å
82S69.7Low67.5Low117 Ų117125.3 Ų125.382%0.81864%0.636SS**  trans-70.968.4-178.4-165.70000108.6V80V80-S82 PolarHBondContact O-N 3.16Å
83K82Confident69.2Low82 Ų82122 Ų12236%0.35763%0.629SS.*  trans-69.6130.9172.1-67.2-175.4-179.7-176.60106E81 E127 T130E81-K83 HydrophobicContact CB-CG 4.19Å; E81-K83 PolarHBondContact O-N 3.47Å; E81-K83 WeakPolarHBondContact OE2-CE 3.46Å; E81-K83 IonicContact OE2-NZ 3.81Å; K83-E127 PolarHBondContact NZ-O 3.35Å; K83-T130 WeakPolarHBondContact O-CG2 3.16Å
84D87.1Confident71.2Confident50 Ų50120.1 Ų120.127%0.26762%0.619SS.*  trans-128.8178169.763.945.4000109.9R86D84-R86 VanDerWaalsContact CG-NE 3.28Å; D84-R86 VanDerWaalsContact OD1-CB 3.29Å; D84-R86 WeakPolarHBondContact OD1-CB 3.47Å; D84-R86 WeakPolarHBondContact OD1-CG 3.44Å; D84-R86 PolarHBondContact OD1-N 3.34Å; D84-R86 IonicContact OD1-NE 3.17Å; D84-R86 PolarHBondContact OD1-NE 3.37Å; D84-R86 IonicContact OD2-CZ 3.03Å; D84-R86 IonicContact OD2-NE 2.7Å; D84-R86 PolarHBondContact OD2-NE 2.88Å; D84-R86 IonicContact OD2-NH2 2.62Å; D84-R86 PolarHBondContact OD2-NH2 3.18Å
85N90.7Very high73.2Confident126 Ų126114.5 Ų114.567%0.67459%0.593SS**SBendtrans-93.38-177.763.6-15.3000113.8N87 I88N85-N87 PolarHBondContact O-N 3.45Å; N85-I88 HydrophobicContact CB-CD1 4.16Å; N85-I88 PolarHBondContact O-N 3.02Å; N85-I88 VanDerWaalsContact O-N 3.12Å
86R91.1Very high75.2Confident192 Ų192112.5 Ų112.573%0.72558%0.581SS**THydrogen-bonded Turntrans-62.9-30.2-170.683.7-177.365.3-169.2-0.8113.2D84D84-R86 VanDerWaalsContact CG-NE 3.28Å; D84-R86 VanDerWaalsContact OD1-CB 3.29Å; D84-R86 WeakPolarHBondContact OD1-CB 3.47Å; D84-R86 WeakPolarHBondContact OD1-CG 3.44Å; D84-R86 PolarHBondContact OD1-N 3.34Å; D84-R86 IonicContact OD1-NE 3.17Å; D84-R86 PolarHBondContact OD1-NE 3.37Å; D84-R86 IonicContact OD2-CZ 3.03Å; D84-R86 IonicContact OD2-NE 2.7Å; D84-R86 PolarHBondContact OD2-NE 2.88Å; D84-R86 IonicContact OD2-NH2 2.62Å; D84-R86 PolarHBondContact OD2-NH2 3.18Å
87N89.7Confident77.5Confident130 Ų130105.5 Ų105.570%0.69555%0.552SS**THydrogen-bonded Turntrans-101.1-2.9-179.7-65.8-36.7000113.7N85 K89N85-N87 PolarHBondContact O-N 3.45Å; N87-K89 PolarHBondContact O-N 3.48Å
88I88.7Confident79.7Confident44 Ų44102.6 Ų102.623%0.22655%0.549CS..  trans-80.7103.5-177.9-59.3-179.1000109N85 N125 Q128 K129N85-I88 HydrophobicContact CB-CD1 4.16Å; N85-I88 PolarHBondContact O-N 3.02Å; N85-I88 VanDerWaalsContact O-N 3.12Å; I88-N125 HydrophobicContact CG2-CB 4.26Å; I88-Q128 HydrophobicContact CD1-CB 4.2Å; I88-Q128 HydrophobicContact CG1-CB 4.08Å; I88-K129 HydrophobicContact CD1-CG 4.21Å
89K88.6Confident82.1Confident172 Ų172102.3 Ų102.375%0.74855%0.546SS*.  trans-85.7132.8174.2-64.7-176.8-178.8178.90111N87 S91 N94 N125N87-K89 PolarHBondContact O-N 3.48Å; K89-S91 PolarHBondContact O-N 3.28Å; K89-N94 PolarHBondContact O-ND2 2.95Å; K89-N125 PolarHBondContact O-ND2 2.97Å; K89-N125 VanDerWaalsContact O-ND2 3.15Å
90Y86.5Confident84.4Confident210 Ų210102.8 Ų102.882%0.82454%0.539SS*.  trans-75.3123.9172.2-179.8-96.4000110
91S88.2Confident86.2Confident54 Ų54102 Ų10238%0.37852%0.524SS..  trans-148.7143.9172.7178.70000109.1K89 A93 N94K89-S91 PolarHBondContact O-N 3.28Å; S91-A93 PolarHBondContact O-N 3.39Å; S91-A93 PolarHBondContact OG-N 3.37Å; S91-N94 PolarHBondContact N-ND2 3.31Å; S91-N94 VanDerWaalsContact O-CB 3.26Å; S91-N94 WeakPolarHBondContact O-CB 3.47Å; S91-N94 PolarHBondContact O-N 2.95Å; S91-N94 VanDerWaalsContact O-N 3.17Å; S91-N94 PolarHBondContact O-ND2 3.01Å; S91-N94 VanDerWaalsContact O-ND2 3.13Å
92Q83.6Confident87.8Confident172 Ų17296.3 Ų96.380%0.80450%0.498SS*.G310 helixtrans-63.2-28.3171.9-67.7-178.3-1.600111.3N94Q92-N94 PolarHBondContact O-N 3.23Å
93A85.5Confident88.7Confident77 Ų7796.6 Ų96.664%0.63649%0.486SS*.G310 helixtrans-69-8.1176.600000113.8S91 Q95S91-A93 PolarHBondContact O-N 3.39Å; S91-A93 PolarHBondContact OG-N 3.37Å; A93-Q95 PolarHBondContact O-N 3.4Å
94N87.7Confident89.1Confident30 Ų3097.8 Ų97.816%0.1649%0.493CS..G310 helixtrans-65.8-24.3178.8-67.4-19000112.6K89 S91 Q92 N123 S124 N125K89-N94 PolarHBondContact O-ND2 2.95Å; S91-N94 PolarHBondContact N-ND2 3.31Å; S91-N94 VanDerWaalsContact O-CB 3.26Å; S91-N94 WeakPolarHBondContact O-CB 3.47Å; S91-N94 PolarHBondContact O-N 2.95Å; S91-N94 VanDerWaalsContact O-N 3.17Å; S91-N94 PolarHBondContact O-ND2 3.01Å; S91-N94 VanDerWaalsContact O-ND2 3.13Å; Q92-N94 PolarHBondContact O-N 3.23Å; N94-N123 CarbonylContact O-C 3.58Å; N94-N123 VanDerWaalsContact O-CA 3.29Å; N94-N123 WeakPolarHBondContact O-CA 3.38Å; N94-S124 VanDerWaalsContact CA-OG 3.3Å; N94-S124 WeakPolarHBondContact CA-OG 3.41Å; N94-S124 PolarHBondContact O-N 3Å; N94-S124 PolarHBondContact O-OG 2.88Å; N94-S124 PolarHBondContact OD1-OG 3.42Å; N94-N125 PolarHBondContact ND2-ND2 3.14Å
95Q90.2Very high89.2Confident49 Ų4996 Ų9623%0.22948%0.484CS..BIsolated β-bridgetrans-108112.7173177.652.8-98.500108.8A93 L97 L119 G122 Y137A93-Q95 PolarHBondContact O-N 3.4Å; Q95-L97 VanDerWaalsContact C-N 3.33Å; Q95-L119 HydrophobicContact CG-CD2 4.43Å; Q95-L119 PolarHBondContact NE2-O 2.89Å; Q95-G122 PolarHBondContact OE1-O 3.08Å; Q95-Y137 PolarHBondContact NE2-OH 3.23Å
96K90.5Very high88.8Confident160 Ų16095.7 Ų95.770%0.69647%0.473SS*.  trans-70.1-29.1-178.9-65.7176.4-176.1172.10112.8G122K96-G122 WeakPolarHBondContact CG-O 3.23Å; K96-G122 PolarHBondContact N-O 3.38Å
97L89.9Confident88.5Confident26 Ų2693.1 Ų93.114%0.13647%0.473CS..SBendtrans-82.9120.5-178.8-66.1147.3000111Q95 Y101 I102 Q118 L119Q95-L97 VanDerWaalsContact C-N 3.33Å; L97-Y101 HydrophobicContact CD2-CD1 3.34Å; L97-Y101 HydrophobicContact CD2-CE1 3.41Å; L97-Y101 VanDerWaalsContact CD2-CE1 3.41Å; L97-I102 HydrophobicContact CB-CD1 4.31Å; L97-I102 HydrophobicContact CB-CG1 4.23Å; L97-Q118 HydrophobicContact CD1-CB 3.91Å; L97-Q118 WeakPolarHBondContact CD1-O 3.42Å; L97-L119 HydrophobicContact CB-CD2 4.33Å; L97-L119 HydrophobicContact CD1-CB 4.48Å; L97-L119 HydrophobicContact CD1-CD2 3.96Å; L97-L119 HydrophobicContact CD1-CG 4.14Å
98T91.7Very high88.3Confident79 Ų7993.1 Ų93.149%0.48547%0.473SS..  trans-75.6157.2175.763.10000111.4S100 Y101 I102T98-S100 VanDerWaalsContact C-N 3.3Å; T98-S100 PolarHBondContact O-N 2.84Å; T98-S100 PolarHBondContact OG1-OG 3.15Å; T98-Y101 PolarHBondContact O-N 3.05Å; T98-Y101 VanDerWaalsContact OG1-CB 3.31Å; T98-Y101 WeakPolarHBondContact OG1-CB 3.31Å; T98-Y101 PolarHBondContact OG1-N 2.94Å; T98-I102 WeakPolarHBondContact O-CG1 3.31Å; T98-I102 PolarHBondContact O-N 2.78Å; T98-I102 VanDerWaalsContact O-N 3.08Å
99G89.4Confident87.9Confident56 Ų5694.1 Ų94.158%0.57749%0.494SS*.Hα-helixtrans-58.9-40.517600000113.1I102 E103G99-I102 PolarHBondContact O-N 2.94Å; G99-E103 PolarHBondContact O-N 3.39Å
100S91.8Very high87.6Confident75 Ų7588 Ų8852%0.52447%0.471SS..Hα-helixtrans-65.3-39.5177.5520000112.5T98 E103 Q104T98-S100 VanDerWaalsContact C-N 3.3Å; T98-S100 PolarHBondContact O-N 2.84Å; T98-S100 PolarHBondContact OG1-OG 3.15Å; S100-E103 WeakPolarHBondContact O-CB 3.33Å; S100-E103 PolarHBondContact O-N 3.24Å; S100-Q104 WeakPolarHBondContact O-CG 3.4Å; S100-Q104 PolarHBondContact O-N 3.17Å
101Y92.5Very high87.4Confident99 Ų9980.3 Ų80.339%0.38845%0.448SS..Hα-helixtrans-66.7-40.3175.9-175.2-104000111.7L97 T98 E103 Q104 L105L97-Y101 HydrophobicContact CD2-CD1 3.34Å; L97-Y101 HydrophobicContact CD2-CE1 3.41Å; L97-Y101 VanDerWaalsContact CD2-CE1 3.41Å; T98-Y101 PolarHBondContact O-N 3.05Å; T98-Y101 VanDerWaalsContact OG1-CB 3.31Å; T98-Y101 WeakPolarHBondContact OG1-CB 3.31Å; T98-Y101 PolarHBondContact OG1-N 2.94Å; Y101-E103 VanDerWaalsContact C-N 3.26Å; Y101-E103 PolarHBondContact O-N 3.13Å; Y101-Q104 WeakPolarHBondContact O-CB 3.41Å; Y101-Q104 PolarHBondContact O-N 3.25Å; Y101-Q104 VanDerWaalsContact O-N 3.14Å; Y101-L105 HydrophobicContact CD1-CD1 3.97Å; Y101-L105 HydrophobicContact CD1-CG 4.17Å; Y101-L105 HydrophobicContact CE1-CD1 3.7Å; Y101-L105 HydrophobicContact CE1-CD2 3.98Å; Y101-L105 HydrophobicContact CE1-CG 3.89Å; Y101-L105 WeakPolarHBondContact O-CG 3.47Å; Y101-L105 PolarHBondContact O-N 3.32Å
102I89.3Confident87.1Confident22 Ų2278.6 Ų78.611%0.11344%0.439CS..Hα-helixtrans-61.2-37.6174.6-65.3162.8000111.3L97 T98 G99 L105 R106 I115 L119L97-I102 HydrophobicContact CB-CD1 4.31Å; L97-I102 HydrophobicContact CB-CG1 4.23Å; T98-I102 WeakPolarHBondContact O-CG1 3.31Å; T98-I102 PolarHBondContact O-N 2.78Å; T98-I102 VanDerWaalsContact O-N 3.08Å; G99-I102 PolarHBondContact O-N 2.94Å; I102-L105 PolarHBondContact O-N 3.48Å; I102-R106 WeakPolarHBondContact O-CG 3.21Å; I102-R106 PolarHBondContact O-N 3.17Å; I102-R106 VanDerWaalsContact O-N 3.16Å; I102-I115 HydrophobicContact CG2-CG2 4.19Å; I102-L119 HydrophobicContact CD1-CD2 3.81Å
103E87.3Confident87.1Confident123 Ų12374 Ų7458%0.57542%0.417SS*.Hα-helixtrans-66.4-41.2174.5-171.3170.2-160.600111.8G99 S100 Y101 L105 R106 L107G99-E103 PolarHBondContact O-N 3.39Å; S100-E103 WeakPolarHBondContact O-CB 3.33Å; S100-E103 PolarHBondContact O-N 3.24Å; Y101-E103 VanDerWaalsContact C-N 3.26Å; Y101-E103 PolarHBondContact O-N 3.13Å; E103-L105 PolarHBondContact O-N 2.88Å; E103-R106 WeakPolarHBondContact O-CB 3.2Å; E103-R106 PolarHBondContact O-N 3.49Å; E103-L107 HydrophobicContact CG-CD1 4.46Å; E103-L107 WeakPolarHBondContact O-CG 3.2Å; E103-L107 PolarHBondContact O-N 2.94Å
104Q90.4Very high87.1Confident107 Ų10774 Ų7450%0.541%0.406SS..Hα-helixtrans-60.6-43.7172.8-71.5173.5-900112.3S100 Y101 R106 L107 N108S100-Q104 WeakPolarHBondContact O-CG 3.4Å; S100-Q104 PolarHBondContact O-N 3.17Å; Y101-Q104 WeakPolarHBondContact O-CB 3.41Å; Y101-Q104 PolarHBondContact O-N 3.25Å; Y101-Q104 VanDerWaalsContact O-N 3.14Å; Q104-R106 VanDerWaalsContact C-N 3.27Å; Q104-R106 PolarHBondContact O-N 3.19Å; Q104-L107 PolarHBondContact O-N 3.1Å; Q104-N108 WeakPolarHBondContact O-CB 3.43Å; Q104-N108 VanDerWaalsContact O-CG 3.23Å; Q104-N108 PolarHBondContact O-N 3.3Å; Q104-N108 PolarHBondContact O-ND2 3.4Å
105L89.8Confident87.1Confident12 Ų1272.7 Ų72.76%0.06340%0.4CS..Hα-helixtrans-57.5-42.3175.1-67.6175.6000111.4Y101 I102 E103 N108 G109 V110 I115Y101-L105 HydrophobicContact CD1-CD1 3.97Å; Y101-L105 HydrophobicContact CD1-CG 4.17Å; Y101-L105 HydrophobicContact CE1-CD1 3.7Å; Y101-L105 HydrophobicContact CE1-CD2 3.98Å; Y101-L105 HydrophobicContact CE1-CG 3.89Å; Y101-L105 WeakPolarHBondContact O-CG 3.47Å; Y101-L105 PolarHBondContact O-N 3.32Å; I102-L105 PolarHBondContact O-N 3.48Å; E103-L105 PolarHBondContact O-N 2.88Å; L105-N108 PolarHBondContact O-N 3.22Å; L105-G109 PolarHBondContact O-N 3.44Å; L105-V110 HydrophobicContact CB-CB 4.14Å; L105-V110 HydrophobicContact CB-CG2 4.18Å; L105-V110 HydrophobicContact CD2-CG2 3.94Å; L105-V110 VanDerWaalsContact O-CB 3.29Å; L105-V110 WeakPolarHBondContact O-CB 3.14Å; L105-V110 WeakPolarHBondContact O-CG2 3.33Å; L105-V110 PolarHBondContact O-N 3.1Å; L105-I115 HydrophobicContact CB-CD1 4.19Å; L105-I115 HydrophobicContact CB-CG1 4.1Å; L105-I115 HydrophobicContact CD1-CG1 4.22Å
106R83.3Confident87Confident120 Ų12070.6 Ų70.645%0.45339%0.39SS..Hα-helixtrans-64.6-43.2176.5-70.5169.8171.2-177.9-5.8112.1I102 E103 Q104 N108 G109 I115 R144 H145I102-R106 WeakPolarHBondContact O-CG 3.21Å; I102-R106 PolarHBondContact O-N 3.17Å; I102-R106 VanDerWaalsContact O-N 3.16Å; E103-R106 WeakPolarHBondContact O-CB 3.2Å; E103-R106 PolarHBondContact O-N 3.49Å; Q104-R106 VanDerWaalsContact C-N 3.27Å; Q104-R106 PolarHBondContact O-N 3.19Å; R106-N108 VanDerWaalsContact C-N 3.29Å; R106-N108 PolarHBondContact O-N 3.49Å; R106-G109 PolarHBondContact O-N 3.16Å; R106-G109 VanDerWaalsContact O-N 3.16Å; R106-I115 HydrophobicContact CG-CD1 3.75Å; R106-R144 PolarHBondContact NH2-O 2.92Å; R106-H145 PolarHBondContact NH2-ND1 3.48Å
107L83.9Confident86.9Confident138 Ų13866.1 Ų66.172%0.72337%0.373SS*.Hα-helixtrans-64.8-34.9177.5-71171.5000112E103 Q104 G109E103-L107 HydrophobicContact CG-CD1 4.46Å; E103-L107 WeakPolarHBondContact O-CG 3.2Å; E103-L107 PolarHBondContact O-N 2.94Å; Q104-L107 PolarHBondContact O-N 3.1Å; L107-G109 PolarHBondContact O-N 2.61Å
108N86.3Confident86.9Confident130 Ų13067.7 Ų67.770%0.69538%0.38SS*.THydrogen-bonded Turntrans-76.30.5175.8-67.7-14.7000113.6Q104 L105 R106 V110Q104-N108 WeakPolarHBondContact O-CB 3.43Å; Q104-N108 VanDerWaalsContact O-CG 3.23Å; Q104-N108 PolarHBondContact O-N 3.3Å; Q104-N108 PolarHBondContact O-ND2 3.4Å; L105-N108 PolarHBondContact O-N 3.22Å; R106-N108 VanDerWaalsContact C-N 3.29Å; R106-N108 PolarHBondContact O-N 3.49Å; N108-V110 VanDerWaalsContact C-N 3.34Å; N108-V110 HydrophobicContact CB-CG2 4.39Å; N108-V110 PolarHBondContact O-N 3.25Å
109G80Confident86.9Confident65 Ų6564 Ų6467%0.6736%0.357SS*.THydrogen-bonded Turntrans76.516.9177.700000114.8L105 R106 L107L105-G109 PolarHBondContact O-N 3.44Å; R106-G109 PolarHBondContact O-N 3.16Å; R106-G109 VanDerWaalsContact O-N 3.16Å; L107-G109 PolarHBondContact O-N 2.61Å
110V82.8Confident87Confident44 Ų4462.8 Ų62.827%0.26734%0.339SS..  trans-61.5138175.4-179.90000109.6L105 N108 D114 I115L105-V110 HydrophobicContact CB-CB 4.14Å; L105-V110 HydrophobicContact CB-CG2 4.18Å; L105-V110 HydrophobicContact CD2-CG2 3.94Å; L105-V110 VanDerWaalsContact O-CB 3.29Å; L105-V110 WeakPolarHBondContact O-CB 3.14Å; L105-V110 WeakPolarHBondContact O-CG2 3.33Å; L105-V110 PolarHBondContact O-N 3.1Å; N108-V110 VanDerWaalsContact C-N 3.34Å; N108-V110 HydrophobicContact CB-CG2 4.39Å; N108-V110 PolarHBondContact O-N 3.25Å; V110-D114 HydrophobicContact CG1-CB 3.7Å; V110-I115 HydrophobicContact CB-CG1 4.39Å; V110-I115 HydrophobicContact CG1-CG1 3.98Å
111S81.9Confident86.9Confident49 Ų4966.6 Ų66.634%0.34335%0.348SS..  trans-64.8150.2-175.485.70000111Q113 D114 I115S111-Q113 PolarHBondContact O-N 3.43Å; S111-Q113 PolarHBondContact OG-N 3.25Å; S111-D114 VanDerWaalsContact CB-OD2 3.31Å; S111-D114 WeakPolarHBondContact CB-OD2 3.27Å; S111-D114 PolarHBondContact O-N 2.95Å; S111-D114 PolarHBondContact OG-N 2.95Å; S111-D114 VanDerWaalsContact OG-N 3.1Å; S111-D114 PolarHBondContact OG-OD2 3.12Å; S111-I115 WeakPolarHBondContact O-CG1 3.49Å; S111-I115 PolarHBondContact O-N 3.26Å; S111-I115 VanDerWaalsContact O-N 3.1Å
112G81.8Confident86.9Confident17 Ų1762.2 Ų62.218%0.17533%0.333CS..Hα-helixtrans-60.3-27176.700000113L116 H145G112-L116 PolarHBondContact O-N 2.85Å; G112-H145 WeakPolarHBondContact CA-O 3.24Å
113Q83.1Confident87Confident76 Ų7662 Ų6236%0.35533%0.333SS..Hα-helixtrans-72.4-47.8177.1-173.858.743.600110.8S111 I115 L116 D117 L146S111-Q113 PolarHBondContact O-N 3.43Å; S111-Q113 PolarHBondContact OG-N 3.25Å; Q113-I115 VanDerWaalsContact C-N 3.27Å; Q113-I115 PolarHBondContact O-N 3.2Å; Q113-L116 CarbonylContact O-C 3.59Å; Q113-L116 WeakPolarHBondContact O-CA 3.21Å; Q113-L116 VanDerWaalsContact O-CB 3.31Å; Q113-L116 WeakPolarHBondContact O-CB 3.09Å; Q113-L116 PolarHBondContact O-N 2.64Å; Q113-D117 PolarHBondContact NE2-OD1 3.16Å; Q113-D117 VanDerWaalsContact O-CG 3.31Å; Q113-D117 PolarHBondContact O-N 2.97Å; Q113-L146 HydrophobicContact CB-CD2 4.23Å
114D85.9Confident87.1Confident76 Ų7659 Ų5941%0.40633%0.325SS..Hα-helixtrans-62.1-37.7177.9-54-41.4000111.4V110 S111 L116 D117 Q118V110-D114 HydrophobicContact CG1-CB 3.7Å; S111-D114 VanDerWaalsContact CB-OD2 3.31Å; S111-D114 WeakPolarHBondContact CB-OD2 3.27Å; S111-D114 PolarHBondContact O-N 2.95Å; S111-D114 PolarHBondContact OG-N 2.95Å; S111-D114 VanDerWaalsContact OG-N 3.1Å; S111-D114 PolarHBondContact OG-OD2 3.12Å; D114-L116 VanDerWaalsContact C-N 3.28Å; D114-L116 PolarHBondContact O-N 3.3Å; D114-D117 PolarHBondContact O-N 3.09Å; D114-Q118 WeakPolarHBondContact O-CB 3Å; D114-Q118 VanDerWaalsContact O-CG 3.31Å; D114-Q118 WeakPolarHBondContact O-CG 3.2Å; D114-Q118 PolarHBondContact O-N 2.93Å
115I87.4Confident87.1Confident4 Ų454.7 Ų54.72%0.02131%0.306CS..Hα-helixtrans-61.9-39.5173.7-65.9169.7000110.6I102 L105 R106 V110 S111 Q113 L119 H145I102-I115 HydrophobicContact CG2-CG2 4.19Å; L105-I115 HydrophobicContact CB-CD1 4.19Å; L105-I115 HydrophobicContact CB-CG1 4.1Å; L105-I115 HydrophobicContact CD1-CG1 4.22Å; R106-I115 HydrophobicContact CG-CD1 3.75Å; V110-I115 HydrophobicContact CB-CG1 4.39Å; V110-I115 HydrophobicContact CG1-CG1 3.98Å; S111-I115 WeakPolarHBondContact O-CG1 3.49Å; S111-I115 PolarHBondContact O-N 3.26Å; S111-I115 VanDerWaalsContact O-N 3.1Å; Q113-I115 VanDerWaalsContact C-N 3.27Å; Q113-I115 PolarHBondContact O-N 3.2Å; I115-L119 HydrophobicContact CG2-CD1 3.93Å; I115-L119 HydrophobicContact CG2-CG 4.46Å; I115-L119 VanDerWaalsContact O-CB 3.29Å; I115-L119 WeakPolarHBondContact O-CB 3.38Å; I115-L119 WeakPolarHBondContact O-CD1 3.21Å; I115-L119 WeakPolarHBondContact O-CG 3.33Å; I115-L119 PolarHBondContact O-N 3.22Å; I115-H145 HydrophobicContact CG2-CB 4.4Å
116L87.1Confident87Confident5 Ų555.5 Ų55.53%0.02631%0.308CS..Hα-helixtrans-67.4-43.9177.9-177.8142.1000111.3G112 Q113 D114 L119 V120 L138 K141 K142G112-L116 PolarHBondContact O-N 2.85Å; Q113-L116 CarbonylContact O-C 3.59Å; Q113-L116 WeakPolarHBondContact O-CA 3.21Å; Q113-L116 VanDerWaalsContact O-CB 3.31Å; Q113-L116 WeakPolarHBondContact O-CB 3.09Å; Q113-L116 PolarHBondContact O-N 2.64Å; D114-L116 VanDerWaalsContact C-N 3.28Å; D114-L116 PolarHBondContact O-N 3.3Å; L116-L119 WeakPolarHBondContact O-CB 3.48Å; L116-L119 PolarHBondContact O-N 2.58Å; L116-L119 VanDerWaalsContact O-N 3.13Å; L116-V120 HydrophobicContact CD2-CG2 4.3Å; L116-V120 WeakPolarHBondContact O-CG2 3.38Å; L116-V120 PolarHBondContact O-N 3.38Å; L116-L138 HydrophobicContact CD2-CD2 4.17Å; L116-K141 HydrophobicContact CD1-CB 3.81Å; L116-K141 HydrophobicContact CG-CB 4.29Å; L116-K142 HydrophobicContact CD1-CB 4.2Å; L116-K142 HydrophobicContact CD1-CG 3.45Å; L116-K142 VanDerWaalsContact CD1-CG 3.45Å
117D88.7Confident87.2Confident65 Ų6557.1 Ų57.135%0.34832%0.321SS..Hα-helixtrans-63-47.3179.5-62.9-22.5000110.3Q113 D114 L119 V120 E121Q113-D117 PolarHBondContact NE2-OD1 3.16Å; Q113-D117 VanDerWaalsContact O-CG 3.31Å; Q113-D117 PolarHBondContact O-N 2.97Å; D114-D117 PolarHBondContact O-N 3.09Å; D117-L119 VanDerWaalsContact C-N 3.29Å; D117-L119 PolarHBondContact O-N 3.02Å; D117-V120 WeakPolarHBondContact O-CB 3.42Å; D117-V120 PolarHBondContact O-N 3.09Å; D117-E121 WeakPolarHBondContact O-CG 3.38Å; D117-E121 PolarHBondContact O-N 3.23Å
118Q91.3Very high87.4Confident60 Ų6054.8 Ų54.828%0.2831%0.306SS..Hα-helixtrans-58.6-39.9172.4-71-176.924.900112.1L97 D114 V120 E121 G122L97-Q118 HydrophobicContact CD1-CB 3.91Å; L97-Q118 WeakPolarHBondContact CD1-O 3.42Å; D114-Q118 WeakPolarHBondContact O-CB 3Å; D114-Q118 VanDerWaalsContact O-CG 3.31Å; D114-Q118 WeakPolarHBondContact O-CG 3.2Å; D114-Q118 PolarHBondContact O-N 2.93Å; Q118-V120 VanDerWaalsContact C-N 3.27Å; Q118-V120 PolarHBondContact O-N 2.97Å; Q118-E121 PolarHBondContact O-N 2.97Å; Q118-G122 WeakPolarHBondContact O-CA 3.36Å; Q118-G122 PolarHBondContact O-N 3.3Å
119L91.2Very high87.5Confident0 Ų051 Ų510%028%0.284CS..Hα-helixtrans-66.7-26.2177.3-82.2169.8000113.9Q95 L97 I102 I115 L116 D117 N123 Y137 K141 H145Q95-L119 HydrophobicContact CG-CD2 4.43Å; Q95-L119 PolarHBondContact NE2-O 2.89Å; L97-L119 HydrophobicContact CB-CD2 4.33Å; L97-L119 HydrophobicContact CD1-CB 4.48Å; L97-L119 HydrophobicContact CD1-CD2 3.96Å; L97-L119 HydrophobicContact CD1-CG 4.14Å; I102-L119 HydrophobicContact CD1-CD2 3.81Å; I115-L119 HydrophobicContact CG2-CD1 3.93Å; I115-L119 HydrophobicContact CG2-CG 4.46Å; I115-L119 VanDerWaalsContact O-CB 3.29Å; I115-L119 WeakPolarHBondContact O-CB 3.38Å; I115-L119 WeakPolarHBondContact O-CD1 3.21Å; I115-L119 WeakPolarHBondContact O-CG 3.33Å; I115-L119 PolarHBondContact O-N 3.22Å; L116-L119 WeakPolarHBondContact O-CB 3.48Å; L116-L119 PolarHBondContact O-N 2.58Å; L116-L119 VanDerWaalsContact O-N 3.13Å; D117-L119 VanDerWaalsContact C-N 3.29Å; D117-L119 PolarHBondContact O-N 3.02Å; L119-N123 WeakPolarHBondContact O-CB 3.27Å; L119-Y137 PolarHBondContact O-OH 3.14Å; L119-K141 HydrophobicContact CD1-CD 4.16Å; L119-H145 VanDerWaalsContact CD1-NE2 3.29Å; L119-H145 WeakPolarHBondContact CD1-NE2 3.37Å
120V90.7Very high87.9Confident32 Ų3249.8 Ų49.819%0.19426%0.264CS..Hα-helixtrans-78.3-50.6174.4171.90000109.3L116 D117 Q118 G122 N123 F126 Y137 L138L116-V120 HydrophobicContact CD2-CG2 4.3Å; L116-V120 WeakPolarHBondContact O-CG2 3.38Å; L116-V120 PolarHBondContact O-N 3.38Å; D117-V120 WeakPolarHBondContact O-CB 3.42Å; D117-V120 PolarHBondContact O-N 3.09Å; Q118-V120 VanDerWaalsContact C-N 3.27Å; Q118-V120 PolarHBondContact O-N 2.97Å; V120-G122 VanDerWaalsContact C-N 3.28Å; V120-G122 PolarHBondContact O-N 3.49Å; V120-N123 WeakPolarHBondContact O-CB 3.49Å; V120-N123 PolarHBondContact O-N 3.1Å; V120-N123 VanDerWaalsContact O-N 3.09Å; V120-F126 HydrophobicContact CG1-CD1 3.6Å; V120-F126 HydrophobicContact CG1-CD2 4.34Å; V120-F126 HydrophobicContact CG1-CE1 3.58Å; V120-F126 HydrophobicContact CG1-CE2 4.34Å; V120-F126 HydrophobicContact CG1-CG 3.99Å; V120-F126 HydrophobicContact CG1-CZ 3.96Å; V120-F126 HydrophobicContact CG2-CE2 4.45Å; V120-Y137 HydrophobicContact CG2-CE1 4.23Å; V120-L138 HydrophobicContact CG2-CD2 3.52Å
121E91.1Very high88Confident155 Ų15551.3 Ų51.372%0.72427%0.27SS*.Hα-helixtrans-59.6-37.2176.4-68.9175.9179.600112.8D117 Q118 N123D117-E121 WeakPolarHBondContact O-CG 3.38Å; D117-E121 PolarHBondContact O-N 3.23Å; Q118-E121 PolarHBondContact O-N 2.97Å; E121-N123 VanDerWaalsContact C-N 3.25Å; E121-N123 PolarHBondContact O-N 3.31Å
122G90.9Very high88.2Confident7 Ų752.6 Ų52.67%0.07227%0.27CS..THydrogen-bonded Turntrans-75.8-7.4178.700000114.5Q95 K96 Q118 V120Q95-G122 PolarHBondContact OE1-O 3.08Å; K96-G122 WeakPolarHBondContact CG-O 3.23Å; K96-G122 PolarHBondContact N-O 3.38Å; Q118-G122 WeakPolarHBondContact O-CA 3.36Å; Q118-G122 PolarHBondContact O-N 3.3Å; V120-G122 VanDerWaalsContact C-N 3.28Å; V120-G122 PolarHBondContact O-N 3.49Å
123N91.3Very high88.5Confident18 Ų1854.2 Ų54.210%0.09628%0.278CS..BIsolated β-bridgetrans-96.5102.5-177.7-177.1-13.4000111.5N94 L119 V120 E121 N125 F126 Y137N94-N123 CarbonylContact O-C 3.58Å; N94-N123 VanDerWaalsContact O-CA 3.29Å; N94-N123 WeakPolarHBondContact O-CA 3.38Å; L119-N123 WeakPolarHBondContact O-CB 3.27Å; V120-N123 WeakPolarHBondContact O-CB 3.49Å; V120-N123 PolarHBondContact O-N 3.1Å; V120-N123 VanDerWaalsContact O-N 3.09Å; E121-N123 VanDerWaalsContact C-N 3.25Å; E121-N123 PolarHBondContact O-N 3.31Å; N123-N125 PolarHBondContact O-N 3.44Å; N123-N125 PolarHBondContact OD1-N 3.06Å; N123-N125 VanDerWaalsContact OD1-N 3.12Å; N123-F126 HydrophobicContact CB-CB 4.02Å; N123-F126 WeakPolarHBondContact O-CB 3.33Å; N123-F126 PolarHBondContact O-N 3.1Å; N123-F126 PolarHBondContact OD1-N 3.21Å; N123-Y137 VanDerWaalsContact ND2-CE2 3.34Å; N123-Y137 WeakPolarHBondContact ND2-CE2 3.32Å; N123-Y137 VanDerWaalsContact ND2-CZ 3.33Å; N123-Y137 PolarHBondContact ND2-OH 3.19Å
124S90.3Very high88.8Confident60 Ų6052 Ų5242%0.4227%0.268SS..THydrogen-bonded Turntrans-57.1-24.7-176.864.20000114.4N94N94-S124 VanDerWaalsContact CA-OG 3.3Å; N94-S124 WeakPolarHBondContact CA-OG 3.41Å; N94-S124 PolarHBondContact O-N 3Å; N94-S124 PolarHBondContact O-OG 2.88Å; N94-S124 PolarHBondContact OD1-OG 3.42Å
125N89.8Confident88.8Confident16 Ų1650 Ų509%0.08626%0.256CS..THydrogen-bonded Turntrans-105.54.1-174.3-62.91.5000112.1I88 K89 N94 N123 E127 Q128 K129I88-N125 HydrophobicContact CG2-CB 4.26Å; K89-N125 PolarHBondContact O-ND2 2.97Å; K89-N125 VanDerWaalsContact O-ND2 3.15Å; N94-N125 PolarHBondContact ND2-ND2 3.14Å; N123-N125 PolarHBondContact O-N 3.44Å; N123-N125 PolarHBondContact OD1-N 3.06Å; N123-N125 VanDerWaalsContact OD1-N 3.12Å; N125-E127 PolarHBondContact O-N 3.46Å; N125-Q128 PolarHBondContact O-N 2.95Å; N125-K129 WeakPolarHBondContact O-CG 3.28Å; N125-K129 PolarHBondContact O-N 3.39Å
126F88.6Confident88.8Confident28 Ų2857.7 Ų57.712%0.12329%0.289CS..THydrogen-bonded Turntrans-61.9-46.7-174.9-174.8-99.8000111.7V120 N123 Q128 K129 Q134 Y137 L138V120-F126 HydrophobicContact CG1-CD1 3.6Å; V120-F126 HydrophobicContact CG1-CD2 4.34Å; V120-F126 HydrophobicContact CG1-CE1 3.58Å; V120-F126 HydrophobicContact CG1-CE2 4.34Å; V120-F126 HydrophobicContact CG1-CG 3.99Å; V120-F126 HydrophobicContact CG1-CZ 3.96Å; V120-F126 HydrophobicContact CG2-CE2 4.45Å; N123-F126 HydrophobicContact CB-CB 4.02Å; N123-F126 WeakPolarHBondContact O-CB 3.33Å; N123-F126 PolarHBondContact O-N 3.1Å; N123-F126 PolarHBondContact OD1-N 3.21Å; F126-Q128 VanDerWaalsContact C-N 3.32Å; F126-Q128 PolarHBondContact O-N 2.78Å; F126-K129 WeakPolarHBondContact O-CB 3.33Å; F126-K129 PolarHBondContact O-N 2.89Å; F126-Q134 HydrophobicContact CD2-CG 4.34Å; F126-Q134 HydrophobicContact CE1-CB 4.49Å; F126-Q134 HydrophobicContact CE1-CG 4.21Å; F126-Q134 HydrophobicContact CE2-CB 3.88Å; F126-Q134 HydrophobicContact CE2-CG 3.98Å; F126-Q134 HydrophobicContact CZ-CB 3.79Å; F126-Q134 HydrophobicContact CZ-CG 3.92Å; F126-Q134 WeakPolarHBondContact O-CG 3.46Å; F126-Q134 PolarHBondContact O-NE2 2.88Å; F126-Y137 AromaticContact CD2-CD1 3.84Å; F126-Y137 HydrophobicContact CD2-CD1 3.84Å; F126-Y137 HydrophobicContact CD2-CE1 4.17Å; F126-Y137 HydrophobicContact CD2-CG 4.41Å; F126-Y137 AromaticContact CE2-CD1 3.7Å; F126-Y137 HydrophobicContact CE2-CD1 3.7Å; F126-Y137 HydrophobicContact CE2-CE1 4.33Å; F126-Y137 HydrophobicContact CE2-CG 4.39Å; F126-L138 HydrophobicContact CE2-CD2 4.16Å; F126-L138 HydrophobicContact CE2-CG 4.16Å; F126-L138 HydrophobicContact CZ-CD1 4.2Å; F126-L138 HydrophobicContact CZ-CD2 4.04Å; F126-L138 HydrophobicContact CZ-CG 4.05Å
127E87.7Confident88.9Confident154 Ų15458.1 Ų58.172%0.7229%0.291SS*.THydrogen-bonded Turntrans-68.5-28-179-64.5-176.416800114K83 N125 K129K83-E127 PolarHBondContact NZ-O 3.35Å; N125-E127 PolarHBondContact O-N 3.46Å; E127-K129 VanDerWaalsContact C-N 3.32Å
128Q87.8Confident88.8Confident89 Ų8956.7 Ų56.742%0.41628%0.283SS..THydrogen-bonded Turntrans-76.4-20.7178.5-62.9177.51.300112.7I88 N125 F126I88-Q128 HydrophobicContact CD1-CB 4.2Å; I88-Q128 HydrophobicContact CG1-CB 4.08Å; N125-Q128 PolarHBondContact O-N 2.95Å; F126-Q128 VanDerWaalsContact C-N 3.32Å; F126-Q128 PolarHBondContact O-N 2.78Å
129K87.5Confident88.5Confident50 Ų5059.7 Ų59.722%0.21730%0.295CS..SBendtrans-66.7150.4179.2-76.7167.5-170.6-65.50110.9I88 N125 F126 E127 Q134I88-K129 HydrophobicContact CD1-CG 4.21Å; N125-K129 WeakPolarHBondContact O-CG 3.28Å; N125-K129 PolarHBondContact O-N 3.39Å; F126-K129 WeakPolarHBondContact O-CB 3.33Å; F126-K129 PolarHBondContact O-N 2.89Å; E127-K129 VanDerWaalsContact C-N 3.32Å; K129-Q134 HydrophobicContact CB-CG 3.77Å; K129-Q134 PolarHBondContact O-NE2 3.08Å
130T88.4Confident88.3Confident41 Ų4166.4 Ų66.425%0.25232%0.32SS..  trans-59.7154.7166.172.30000110.7K83 F132 S133 Q134K83-T130 WeakPolarHBondContact O-CG2 3.16Å; T130-F132 VanDerWaalsContact C-N 3.27Å; T130-F132 PolarHBondContact O-N 2.79Å; T130-S133 CarbonylContact O-C 3.48Å; T130-S133 WeakPolarHBondContact O-CA 3.46Å; T130-S133 WeakPolarHBondContact O-CB 3.15Å; T130-S133 PolarHBondContact O-N 2.7Å; T130-S133 WeakPolarHBondContact OG1-CB 3.42Å; T130-S133 PolarHBondContact OG1-N 3.42Å; T130-S133 PolarHBondContact OG1-OG 3.11Å; T130-Q134 PolarHBondContact O-N 2.97Å
131L85.9Confident88.1Confident75 Ų7566 Ų6639%0.39332%0.316SS..Hα-helixtrans-54.1-43.9178.8-67.7171.4000112I69 V80 S133 Q134 Q135I69-L131 HydrophobicContact CD1-CD1 3.96Å; I69-L131 HydrophobicContact CD1-CD2 4.49Å; V80-L131 HydrophobicContact CG1-CD1 4.43Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 2.96Å; L131-Q134 PolarHBondContact O-N 2.9Å; L131-Q135 WeakPolarHBondContact O-CG 3.03Å; L131-Q135 PolarHBondContact O-N 2.99Å
132F86.2Confident87.8Confident77 Ų7759.3 Ų59.334%0.33828%0.284SS..Hα-helixtrans-63.2-35.5175.5-60-33.6000113.3T130 K136 E401 R402T130-F132 VanDerWaalsContact C-N 3.27Å; T130-F132 PolarHBondContact O-N 2.79Å; F132-K136 VanDerWaalsContact O-CB 3.3Å; F132-K136 WeakPolarHBondContact O-CB 3.4Å; F132-K136 PolarHBondContact O-N 2.94Å; F132-E401 HydrophobicContact CE2-CB 4.22Å; F132-E401 HydrophobicContact CZ-CB 3.81Å; F132-E401 WeakPolarHBondContact CZ-OE2 3.38Å; F132-R402 HydrophobicContact CD1-CG 4.41Å; F132-R402 HydrophobicContact CD2-CG 4.31Å; F132-R402 HydrophobicContact CE2-CG 4.42Å; F132-R402 HydrophobicContact CG-CG 4.33Å
133S87.4Confident87.3Confident50 Ų5061.1 Ų61.135%0.3529%0.292SS..Hα-helixtrans-71.9-33.9176.7-66.40000112.4T130 L131 Y137T130-S133 CarbonylContact O-C 3.48Å; T130-S133 WeakPolarHBondContact O-CA 3.46Å; T130-S133 WeakPolarHBondContact O-CB 3.15Å; T130-S133 PolarHBondContact O-N 2.7Å; T130-S133 WeakPolarHBondContact OG1-CB 3.42Å; T130-S133 PolarHBondContact OG1-N 3.42Å; T130-S133 PolarHBondContact OG1-OG 3.11Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 2.96Å; S133-Y137 WeakPolarHBondContact O-CB 3.33Å; S133-Y137 PolarHBondContact O-N 2.8Å; S133-Y137 VanDerWaalsContact O-N 3.08Å
134Q89.2Confident86.8Confident31 Ų3167.3 Ų67.315%0.14531%0.314CS..Hα-helixtrans-66.1-50.5172.3-69.7176.8-9.200110.7F126 K129 T130 L131 K136 Y137 L138F126-Q134 HydrophobicContact CD2-CG 4.34Å; F126-Q134 HydrophobicContact CE1-CB 4.49Å; F126-Q134 HydrophobicContact CE1-CG 4.21Å; F126-Q134 HydrophobicContact CE2-CB 3.88Å; F126-Q134 HydrophobicContact CE2-CG 3.98Å; F126-Q134 HydrophobicContact CZ-CB 3.79Å; F126-Q134 HydrophobicContact CZ-CG 3.92Å; F126-Q134 WeakPolarHBondContact O-CG 3.46Å; F126-Q134 PolarHBondContact O-NE2 2.88Å; K129-Q134 HydrophobicContact CB-CG 3.77Å; K129-Q134 PolarHBondContact O-NE2 3.08Å; T130-Q134 PolarHBondContact O-N 2.97Å; L131-Q134 PolarHBondContact O-N 2.9Å; Q134-K136 PolarHBondContact O-N 3.45Å; Q134-Y137 CarbonylContact O-C 3.57Å; Q134-Y137 WeakPolarHBondContact O-CA 3.29Å; Q134-Y137 VanDerWaalsContact O-CB 3.3Å; Q134-Y137 WeakPolarHBondContact O-CB 3.25Å; Q134-Y137 PolarHBondContact O-N 3.06Å; Q134-L138 WeakPolarHBondContact O-CG 3.26Å; Q134-L138 PolarHBondContact O-N 3.01Å
135Q85.5Confident86.5Confident33 Ų3365.1 Ų65.115%0.15430%0.297CS..Hα-helixtrans-58.5-45176.7-71.3174.2-8.500112.1L131 Y137 L138 K139L131-Q135 WeakPolarHBondContact O-CG 3.03Å; L131-Q135 PolarHBondContact O-N 2.99Å; Q135-Y137 PolarHBondContact O-N 3.34Å; Q135-L138 PolarHBondContact O-N 2.85Å; Q135-K139 WeakPolarHBondContact O-CB 3.42Å; Q135-K139 PolarHBondContact O-N 3.19Å
136K87.7Confident86Confident165 Ų16565.4 Ų65.472%0.71730%0.299SS*.Hα-helixtrans-60.2-35.6174.9-174174.5-177.2173.80112F132 Q134 R140F132-K136 VanDerWaalsContact O-CB 3.3Å; F132-K136 WeakPolarHBondContact O-CB 3.4Å; F132-K136 PolarHBondContact O-N 2.94Å; Q134-K136 PolarHBondContact O-N 3.45Å; K136-R140 PolarHBondContact O-N 2.84Å
137Y88.9Confident85.6Confident15 Ų1564.4 Ų64.46%0.05930%0.296CS..Hα-helixtrans-67.8-50.2174.4177.9-90000111.4Q95 L119 V120 N123 F126 S133 Q134 Q135 R140 K141Q95-Y137 PolarHBondContact NE2-OH 3.23Å; L119-Y137 PolarHBondContact O-OH 3.14Å; V120-Y137 HydrophobicContact CG2-CE1 4.23Å; N123-Y137 VanDerWaalsContact ND2-CE2 3.34Å; N123-Y137 WeakPolarHBondContact ND2-CE2 3.32Å; N123-Y137 VanDerWaalsContact ND2-CZ 3.33Å; N123-Y137 PolarHBondContact ND2-OH 3.19Å; F126-Y137 AromaticContact CD2-CD1 3.84Å; F126-Y137 HydrophobicContact CD2-CD1 3.84Å; F126-Y137 HydrophobicContact CD2-CE1 4.17Å; F126-Y137 HydrophobicContact CD2-CG 4.41Å; F126-Y137 AromaticContact CE2-CD1 3.7Å; F126-Y137 HydrophobicContact CE2-CD1 3.7Å; F126-Y137 HydrophobicContact CE2-CE1 4.33Å; F126-Y137 HydrophobicContact CE2-CG 4.39Å; S133-Y137 WeakPolarHBondContact O-CB 3.33Å; S133-Y137 PolarHBondContact O-N 2.8Å; S133-Y137 VanDerWaalsContact O-N 3.08Å; Q134-Y137 CarbonylContact O-C 3.57Å; Q134-Y137 WeakPolarHBondContact O-CA 3.29Å; Q134-Y137 VanDerWaalsContact O-CB 3.3Å; Q134-Y137 WeakPolarHBondContact O-CB 3.25Å; Q134-Y137 PolarHBondContact O-N 3.06Å; Q135-Y137 PolarHBondContact O-N 3.34Å; Y137-R140 PolarHBondContact O-N 3.31Å; Y137-K141 HydrophobicContact CD1-CG 4.08Å; Y137-K141 HydrophobicContact CE1-CG 3.73Å; Y137-K141 HydrophobicContact CE2-CG 4.35Å; Y137-K141 VanDerWaalsContact CZ-CE 3.45Å; Y137-K141 WeakPolarHBondContact O-CG 3.48Å; Y137-K141 PolarHBondContact O-N 3.22Å; Y137-K141 WeakPolarHBondContact OH-CE 3.44Å
138L88.5Confident85.7Confident34 Ų3458 Ų5818%0.17827%0.267CS..Hα-helixtrans-58.6-52.3-179.7-69.6175.5000111.3D66 L116 V120 F126 Q134 Q135 R140 K141 K142D66-L138 WeakPolarHBondContact OD2-CB 3.37Å; L116-L138 HydrophobicContact CD2-CD2 4.17Å; V120-L138 HydrophobicContact CG2-CD2 3.52Å; F126-L138 HydrophobicContact CE2-CD2 4.16Å; F126-L138 HydrophobicContact CE2-CG 4.16Å; F126-L138 HydrophobicContact CZ-CD1 4.2Å; F126-L138 HydrophobicContact CZ-CD2 4.04Å; F126-L138 HydrophobicContact CZ-CG 4.05Å; Q134-L138 WeakPolarHBondContact O-CG 3.26Å; Q134-L138 PolarHBondContact O-N 3.01Å; Q135-L138 PolarHBondContact O-N 2.85Å; L138-R140 PolarHBondContact O-N 3.3Å; L138-K141 CarbonylContact O-C 3.58Å; L138-K141 WeakPolarHBondContact O-CA 3.42Å; L138-K141 PolarHBondContact O-N 3.22Å; L138-K142 WeakPolarHBondContact O-CG 3.44Å; L138-K142 PolarHBondContact O-N 2.62Å
139K84.6Confident85.9Confident124 Ų12454 Ų5454%0.53925%0.248SC..Hα-helixtrans-47.8-56.2175.7-178.8176.4178.7179.40111.6Q135 K141 K142 D143Q135-K139 WeakPolarHBondContact O-CB 3.42Å; Q135-K139 PolarHBondContact O-N 3.19Å; K139-K141 PolarHBondContact O-N 3.16Å; K139-K141 VanDerWaalsContact O-N 3.15Å; K139-K142 WeakPolarHBondContact O-CB 3.39Å; K139-K142 PolarHBondContact O-N 3.07Å; K139-K142 VanDerWaalsContact O-N 3.09Å; K139-D143 PolarHBondContact O-N 3.4Å
140R85.7Confident86.3Confident140 Ų14052.6 Ų52.653%0.52824%0.244SC..Hα-helixtrans-58.8-32.6178.9-176.718062.8175.4-0.1113.4K136 Y137 L138 R144K136-R140 PolarHBondContact O-N 2.84Å; Y137-R140 PolarHBondContact O-N 3.31Å; L138-R140 PolarHBondContact O-N 3.3Å; R140-R144 WeakPolarHBondContact O-CB 3.18Å; R140-R144 PolarHBondContact O-N 2.85Å
141K87.7Confident86.7Confident23 Ų2350.6 Ų50.610%0.123%0.232CC..Hα-helixtrans-77.3-41.4176.5-67.6-52.9-168165.10111.4L116 L119 Y137 L138 K139 D143 R144 H145L116-K141 HydrophobicContact CD1-CB 3.81Å; L116-K141 HydrophobicContact CG-CB 4.29Å; L119-K141 HydrophobicContact CD1-CD 4.16Å; Y137-K141 HydrophobicContact CD1-CG 4.08Å; Y137-K141 HydrophobicContact CE1-CG 3.73Å; Y137-K141 HydrophobicContact CE2-CG 4.35Å; Y137-K141 VanDerWaalsContact CZ-CE 3.45Å; Y137-K141 WeakPolarHBondContact O-CG 3.48Å; Y137-K141 PolarHBondContact O-N 3.22Å; Y137-K141 WeakPolarHBondContact OH-CE 3.44Å; L138-K141 CarbonylContact O-C 3.58Å; L138-K141 WeakPolarHBondContact O-CA 3.42Å; L138-K141 PolarHBondContact O-N 3.22Å; K139-K141 PolarHBondContact O-N 3.16Å; K139-K141 VanDerWaalsContact O-N 3.15Å; K141-D143 PolarHBondContact O-N 2.8Å; K141-R144 PolarHBondContact O-N 2.97Å; K141-H145 WeakPolarHBondContact O-CB 3.13Å; K141-H145 PolarHBondContact O-CD2 2.81Å; K141-H145 PolarHBondContact O-N 3.1Å
142K84Confident87.1Confident16 Ų1649.1 Ų49.17%0.0722%0.223CC..Hα-helixtrans-55.1-52.8173.7-73.3-170.7-176.6-172.40110.6S63 I64 D66 L116 L138 K139 R144 H145 L146S63-K142 PolarHBondContact O-NZ 3.02Å; S63-K142 VanDerWaalsContact O-NZ 3.16Å; I64-K142 PolarHBondContact O-NZ 2.95Å; D66-K142 WeakPolarHBondContact OD1-CE 3.43Å; D66-K142 IonicContact OD1-NZ 3.51Å; D66-K142 PolarHBondContact OD1-NZ 3.38Å; L116-K142 HydrophobicContact CD1-CB 4.2Å; L116-K142 HydrophobicContact CD1-CG 3.45Å; L116-K142 VanDerWaalsContact CD1-CG 3.45Å; L138-K142 WeakPolarHBondContact O-CG 3.44Å; L138-K142 PolarHBondContact O-N 2.62Å; K139-K142 WeakPolarHBondContact O-CB 3.39Å; K139-K142 PolarHBondContact O-N 3.07Å; K139-K142 VanDerWaalsContact O-N 3.09Å; K142-R144 PolarHBondContact O-N 3.39Å; K142-R144 VanDerWaalsContact O-N 3.17Å; K142-H145 PolarHBondContact O-N 3.24Å; K142-L146 HydrophobicContact CB-CD1 3.79Å; K142-L146 HydrophobicContact CB-CG 4.42Å; K142-L146 HydrophobicContact CD-CD1 4.23Å; K142-L146 HydrophobicContact CG-CD1 3.82Å; K142-L146 WeakPolarHBondContact O-CB 3.47Å; K142-L146 PolarHBondContact O-N 3.25Å
143D79.8Confident87.6Confident44 Ų4447.9 Ų47.924%0.23522%0.218CC..Hα-helixtrans-56.7-37.8-179-57.7-27.1000111.9K139 K141K139-D143 PolarHBondContact O-N 3.4Å; K141-D143 PolarHBondContact O-N 2.8Å
144R82.5Confident87.9Confident148 Ų14845.7 Ų45.756%0.55820%0.202SC*.Hα-helixtrans-79.2-38.3-179.4-175.8177.5-64.1-167.3-1.5114.3R106 R140 K141 K142R106-R144 PolarHBondContact NH2-O 2.92Å; R140-R144 WeakPolarHBondContact O-CB 3.18Å; R140-R144 PolarHBondContact O-N 2.85Å; K141-R144 PolarHBondContact O-N 2.97Å; K142-R144 PolarHBondContact O-N 3.39Å; K142-R144 VanDerWaalsContact O-N 3.17Å
145H82.4Confident88.1Confident14 Ų1447.8 Ų47.87%0.06521%0.211CC..Hα-helixtrans-107.1-31.4-164.9-65.1-76000113.6R106 G112 I115 L119 K141 K142 G147R106-H145 PolarHBondContact NH2-ND1 3.48Å; G112-H145 WeakPolarHBondContact CA-O 3.24Å; I115-H145 HydrophobicContact CG2-CB 4.4Å; L119-H145 VanDerWaalsContact CD1-NE2 3.29Å; L119-H145 WeakPolarHBondContact CD1-NE2 3.37Å; K141-H145 WeakPolarHBondContact O-CB 3.13Å; K141-H145 PolarHBondContact O-CD2 2.81Å; K141-H145 PolarHBondContact O-N 3.1Å; K142-H145 PolarHBondContact O-N 3.24Å; H145-G147 VanDerWaalsContact C-N 3.29Å; H145-G147 PolarHBondContact O-N 2.88Å
146L80.5Confident88.4Confident23 Ų2346.5 Ų46.512%0.1221%0.205CC..THydrogen-bonded Turntrans-75-20.8179.2-65.8178.2000112.7Q113 K142 L148Q113-L146 HydrophobicContact CB-CD2 4.23Å; K142-L146 HydrophobicContact CB-CD1 3.79Å; K142-L146 HydrophobicContact CB-CG 4.42Å; K142-L146 HydrophobicContact CD-CD1 4.23Å; K142-L146 HydrophobicContact CG-CD1 3.82Å; K142-L146 WeakPolarHBondContact O-CB 3.47Å; K142-L146 PolarHBondContact O-N 3.25Å; L146-L148 VanDerWaalsContact C-N 3.26Å; L146-L148 HydrophobicContact CB-CD1 4.17Å; L146-L148 HydrophobicContact CB-CD2 3.79Å; L146-L148 HydrophobicContact CB-CG 3.63Å; L146-L148 HydrophobicContact CD1-CD1 4.05Å; L146-L148 HydrophobicContact CD1-CD2 4.48Å; L146-L148 HydrophobicContact CD1-CG 4.39Å; L146-L148 PolarHBondContact O-N 2.86Å
147G80.4Confident88.7Confident7 Ų744.6 Ų44.67%0.07219%0.194CC..  trans59.140.9179.800000112.2H145H145-G147 VanDerWaalsContact C-N 3.29Å; H145-G147 PolarHBondContact O-N 2.88Å
148L88.6Confident89Confident19 Ų1944.6 Ų44.610%0.09919%0.194CC..  trans-70144.1-179.5-56.4178.1000110.7K13 T48 F49 I59 I64 L146K13-L148 WeakPolarHBondContact CD-O 3.39Å; K13-L148 WeakPolarHBondContact CG-O 3.36Å; T48-L148 HydrophobicContact CG2-CB 3.95Å; T48-L148 HydrophobicContact CG2-CD2 4.36Å; F49-L148 WeakPolarHBondContact O-CA 3.17Å; I59-L148 HydrophobicContact CD1-CD2 3.4Å; I59-L148 VanDerWaalsContact CD1-CD2 3.4Å; I64-L148 HydrophobicContact CD1-CD1 4.49Å; I64-L148 HydrophobicContact CG1-CD1 4.09Å; I64-L148 HydrophobicContact CG2-CD1 3.88Å; L146-L148 VanDerWaalsContact C-N 3.26Å; L146-L148 HydrophobicContact CB-CD1 4.17Å; L146-L148 HydrophobicContact CB-CD2 3.79Å; L146-L148 HydrophobicContact CB-CG 3.63Å; L146-L148 HydrophobicContact CD1-CD1 4.05Å; L146-L148 HydrophobicContact CD1-CD2 4.48Å; L146-L148 HydrophobicContact CD1-CG 4.39Å; L146-L148 PolarHBondContact O-N 2.86Å
149F93.4Very high89.2Confident6 Ų643 Ų433%0.02619%0.187CC..EExtended strand (participates in β ladder)trans-149.2152.4168.770.3-83.3000110.1L11 L12 K13 F30 F35 L37 T48 F49 V51 I56 V151L11-F149 HydrophobicContact CB-CD2 4.33Å; L11-F149 HydrophobicContact CD2-CD2 4.36Å; L11-F149 HydrophobicContact CD2-CE2 4.04Å; L12-F149 CarbonylContact O-C 3.46Å; L12-F149 WeakPolarHBondContact O-CA 3.32Å; L12-F149 WeakPolarHBondContact O-CB 3.44Å; K13-F149 HydrophobicContact CB-CB 4.15Å; F30-F149 HydrophobicContact CD1-CB 4.35Å; F30-F149 HydrophobicContact CD1-CG 4.29Å; F30-F149 HydrophobicContact CE1-CB 3.68Å; F30-F149 HydrophobicContact CE1-CD2 4.43Å; F30-F149 HydrophobicContact CE1-CG 4.08Å; F35-F149 HydrophobicContact CD2-CZ 4.48Å; F35-F149 HydrophobicContact CE1-CE1 4.47Å; F35-F149 HydrophobicContact CE2-CE1 4.05Å; F35-F149 HydrophobicContact CE2-CE2 4.29Å; F35-F149 AromaticContact CE2-CZ 3.64Å; F35-F149 HydrophobicContact CE2-CZ 3.64Å; F35-F149 HydrophobicContact CZ-CD1 4.44Å; F35-F149 AromaticContact CZ-CE1 3.85Å; F35-F149 HydrophobicContact CZ-CE1 3.85Å; F35-F149 HydrophobicContact CZ-CE2 4.38Å; F35-F149 AromaticContact CZ-CZ 3.82Å; F35-F149 HydrophobicContact CZ-CZ 3.82Å; L37-F149 HydrophobicContact CD2-CE2 4.46Å; T48-F149 CarbonylContact C-O 3.54Å; T48-F149 WeakPolarHBondContact CA-O 3.43Å; F49-F149 HydrophobicContact CB-CD1 4.41Å; F49-F149 HydrophobicContact CB-CE1 3.83Å; F49-F149 HydrophobicContact CB-CE2 4.27Å; F49-F149 HydrophobicContact CB-CZ 3.75Å; F49-F149 HydrophobicContact CD2-CE2 4.48Å; F49-F149 HydrophobicContact CG-CZ 4.37Å; F49-F149 PolarHBondContact N-O 2.83Å; F49-F149 PolarHBondContact O-N 3.49Å; F49-F149 VanDerWaalsContact O-N 3.11Å; V51-F149 HydrophobicContact CG2-CD1 4.12Å; V51-F149 HydrophobicContact CG2-CE1 3.65Å; I56-F149 HydrophobicContact CB-CZ 4.35Å; I56-F149 HydrophobicContact CD1-CZ 4.17Å; I56-F149 HydrophobicContact CG2-CE1 4.03Å; I56-F149 HydrophobicContact CG2-CZ 3.87Å; F149-V151 HydrophobicContact CD2-CG2 4.31Å; F149-V151 HydrophobicContact CE2-CG2 3.76Å
150S94.6Very high89.6Confident19 Ų1937.2 Ų37.213%0.13316%0.161CC..EExtended strand (participates in β ladder)trans-101152.717373.70000111.8L11 L12 S47 E152L11-S150 WeakPolarHBondContact CA-O 3.41Å; L12-S150 PolarHBondContact N-O 3.39Å; L12-S150 PolarHBondContact O-N 2.66Å; S47-S150 WeakPolarHBondContact O-CA 3.47Å; S150-E152 WeakPolarHBondContact CB-OE1 3.18Å; S150-E152 PolarHBondContact OG-OE1 2.66Å
151V96.6Very high89.9Confident0 Ų033.3 Ų33.30%015%0.149CC..EExtended strand (participates in β ladder)trans-107103.9170.9-1760000108.4I3 V9 L11 G46 S47 F49 F149I3-V151 HydrophobicContact CD1-CB 3.94Å; I3-V151 HydrophobicContact CD1-CG1 3.63Å; I3-V151 HydrophobicContact CG1-CG1 4.39Å; V9-V151 HydrophobicContact CB-CG1 3.87Å; V9-V151 HydrophobicContact CG1-CG1 4.12Å; V9-V151 HydrophobicContact CG2-CG1 4.05Å; L11-V151 HydrophobicContact CD2-CG1 4.42Å; L11-V151 HydrophobicContact CD2-CG2 3.89Å; G46-V151 PolarHBondContact N-O 2.83Å; S47-V151 PolarHBondContact O-N 3.5Å; S47-V151 VanDerWaalsContact O-N 3.14Å; F49-V151 HydrophobicContact CD2-CG2 3.74Å; F49-V151 HydrophobicContact CE2-CB 4.04Å; F49-V151 HydrophobicContact CE2-CG2 3.59Å; F149-V151 HydrophobicContact CD2-CG2 4.31Å; F149-V151 HydrophobicContact CE2-CG2 3.76Å
152E96Very high90.1Very high44 Ų4433 Ų3321%0.20615%0.148CC..EExtended strand (participates in β ladder)trans-100150.8-177.8-61.5-54.4153.200112.5L10 L12 G46 S150 I158L10-E152 HydrophobicContact CB-CB 4.26Å; L10-E152 PolarHBondContact N-O 2.96Å; L10-E152 PolarHBondContact O-N 2.9Å; L12-E152 HydrophobicContact CD1-CB 4.14Å; L12-E152 HydrophobicContact CD1-CG 3.4Å; L12-E152 VanDerWaalsContact CD1-CG 3.4Å; L12-E152 HydrophobicContact CG-CB 4.49Å; L12-E152 HydrophobicContact CG-CG 3.95Å; G46-E152 WeakPolarHBondContact CA-OE1 3.43Å; G46-E152 WeakPolarHBondContact CA-OE2 3.01Å; S150-E152 WeakPolarHBondContact CB-OE1 3.18Å; S150-E152 PolarHBondContact OG-OE1 2.66Å; E152-I158 HydrophobicContact CB-CD1 4.19Å; E152-I158 HydrophobicContact CG-CD1 4.45Å
153K95.2Very high90.4Very high51 Ų5132.8 Ų32.822%0.22215%0.147CC..  trans-72.5130.1167.4-172.6160-176.2123.10108.4M1 E7 F45 K155M1-K153 HydrophobicContact SD-CD 4.23Å; M1-K153 PolarHBondContact SD-NZ 2.77Å; E7-K153 IonicContact OE1-NZ 2.66Å; E7-K153 PolarHBondContact OE1-NZ 2.72Å; F45-K153 HydrophobicContact CB-CB 4.4Å; F45-K153 HydrophobicContact CD1-CB 3.69Å; F45-K153 HydrophobicContact CD2-CB 4.25Å; F45-K153 HydrophobicContact CD2-CD 4.36Å; F45-K153 HydrophobicContact CE1-CB 3.89Å; F45-K153 HydrophobicContact CE1-CG 4.44Å; F45-K153 HydrophobicContact CE2-CB 4.47Å; F45-K153 HydrophobicContact CE2-CD 4.26Å; F45-K153 HydrophobicContact CG-CB 3.86Å; F45-K153 HydrophobicContact CZ-CB 4.29Å; F45-K153 HydrophobicContact CZ-CG 4.42Å; K153-K155 PolarHBondContact O-N 3.32Å
154P94.1Very high90.9Very high3 Ų332.2 Ų32.22%0.01914%0.144CC..  trans-62.2113.6177.4-19.832.4000109.4Y8 L10 F19 V238Y8-P154 WeakPolarHBondContact O-CD 3.43Å; Y8-P154 VanDerWaalsContact O-CG 3.27Å; Y8-P154 WeakPolarHBondContact O-CG 3.4Å; L10-P154 HydrophobicContact CD1-CB 4.27Å; L10-P154 HydrophobicContact CG-CB 4.22Å; L10-P154 HydrophobicContact CG-CG 4.22Å; F19-P154 HydrophobicContact CD2-CG 4.33Å; F19-P154 HydrophobicContact CE2-CB 4.25Å; F19-P154 HydrophobicContact CE2-CG 3.88Å; P154-V238 HydrophobicContact CB-CG2 3.8Å; P154-V238 HydrophobicContact CG-CG2 3.9Å
155K93Very high91.2Very high75 Ų7531 Ų3133%0.32615%0.148SC..  trans-130.2140.8178.5-70.6-58.6-164.9170.10108.5K153 R157 I158 C159 E210K153-K155 PolarHBondContact O-N 3.32Å; K155-R157 PolarHBondContact O-N 2.62Å; K155-I158 HydrophobicContact CB-CD1 4.15Å; K155-I158 HydrophobicContact CB-CG1 4.24Å; K155-I158 WeakPolarHBondContact O-CB 3.17Å; K155-I158 PolarHBondContact O-N 3.2Å; K155-C159 PolarHBondContact O-N 3.06Å; K155-C159 PolarHBondContact O-SG 3.5Å; K155-E210 WeakPolarHBondContact CD-OE1 3.22Å; K155-E210 IonicContact NZ-OE1 3.32Å; K155-E210 PolarHBondContact NZ-OE1 3.44Å
156V93.4Very high91.5Very high6 Ų633.2 Ų33.24%0.03616%0.16CC..Hα-helixtrans-60.8-37-173.8176.60000111.5I158 C159 F160 A206 A207 E210 I235 Y239V156-I158 PolarHBondContact O-N 3.02Å; V156-C159 PolarHBondContact O-N 2.85Å; V156-C159 VanDerWaalsContact O-N 3.15Å; V156-F160 HydrophobicContact CG1-CD2 3.5Å; V156-F160 HydrophobicContact CG1-CE2 3.43Å; V156-F160 VanDerWaalsContact CG1-CE2 3.43Å; V156-F160 WeakPolarHBondContact O-CD2 3.48Å; V156-F160 PolarHBondContact O-N 2.82Å; V156-A206 HydrophobicContact CG2-CB 3.74Å; V156-A207 HydrophobicContact CB-CB 4.38Å; V156-A207 HydrophobicContact CG1-CB 3.55Å; V156-E210 PolarHBondContact N-OE2 3.04Å; V156-I235 HydrophobicContact CG2-CD1 4.21Å; V156-Y239 WeakPolarHBondContact CG2-OH 3.45Å
157R93.7Very high91.9Very high126 Ų12636.8 Ų36.848%0.47517%0.172SC..Hα-helixtrans-52-52.9172.3-173.8-168.165.370.31.3112.1K155 C159 F160 E161 F176K155-R157 PolarHBondContact O-N 2.62Å; R157-C159 VanDerWaalsContact C-N 3.3Å; R157-C159 PolarHBondContact O-N 3.1Å; R157-F160 PolarHBondContact O-N 3.03Å; R157-E161 IonicContact CZ-OE1 3.18Å; R157-E161 IonicContact CZ-OE2 3.97Å; R157-E161 IonicContact NH1-OE1 2.71Å; R157-E161 PolarHBondContact NH1-OE1 2.89Å; R157-E161 IonicContact NH1-OE2 3.17Å; R157-E161 PolarHBondContact NH1-OE2 2.83Å; R157-E161 PolarHBondContact O-N 3.5Å; R157-E161 VanDerWaalsContact O-N 3.17Å; R157-F176 HydrophobicContact CG-CB 4.1Å; R157-F176 HydrophobicContact CG-CD2 4.15Å; R157-F176 HydrophobicContact CG-CG 4.2Å
158I93.6Very high92.4Very high14 Ų1439.1 Ų39.17%0.07219%0.186CC..Hα-helixtrans-63.5-39.8-180-62.5175.5000110L10 L12 E152 K155 V156 F160 E161 I162L10-I158 HydrophobicContact CD1-CG2 3.91Å; L12-I158 HydrophobicContact CD1-CG2 3.87Å; E152-I158 HydrophobicContact CB-CD1 4.19Å; E152-I158 HydrophobicContact CG-CD1 4.45Å; K155-I158 HydrophobicContact CB-CD1 4.15Å; K155-I158 HydrophobicContact CB-CG1 4.24Å; K155-I158 WeakPolarHBondContact O-CB 3.17Å; K155-I158 PolarHBondContact O-N 3.2Å; V156-I158 PolarHBondContact O-N 3.02Å; I158-F160 PolarHBondContact O-N 2.96Å; I158-E161 PolarHBondContact O-N 2.98Å; I158-I162 HydrophobicContact CG2-CD1 3.67Å; I158-I162 HydrophobicContact CG2-CG1 4.33Å; I158-I162 WeakPolarHBondContact O-CD1 3.43Å; I158-I162 VanDerWaalsContact O-CG1 3.25Å; I158-I162 WeakPolarHBondContact O-CG1 3.24Å; I158-I162 PolarHBondContact O-N 2.7Å
159C93.6Very high92.4Very high2 Ų244 Ų441%0.01421%0.209CC..Hα-helixtrans-65-40.4179.8-59.90000112.1K155 V156 R157 I162 Y163 L203 I235K155-C159 PolarHBondContact O-N 3.06Å; K155-C159 PolarHBondContact O-SG 3.5Å; V156-C159 PolarHBondContact O-N 2.85Å; V156-C159 VanDerWaalsContact O-N 3.15Å; R157-C159 VanDerWaalsContact C-N 3.3Å; R157-C159 PolarHBondContact O-N 3.1Å; C159-I162 PolarHBondContact O-N 2.66Å; C159-Y163 WeakPolarHBondContact O-CB 3.49Å; C159-Y163 WeakPolarHBondContact O-CD2 3.32Å; C159-Y163 PolarHBondContact O-N 3.42Å; C159-L203 HydrophobicContact CB-CD2 4.02Å; C159-I235 HydrophobicContact CB-CD1 4.2Å
160F93.7Very high92.3Very high1 Ų148.4 Ų48.40%0.00423%0.227CC..Hα-helixtrans-65.8-37.1174-86.2-74.4000112.6V156 R157 I158 N164 C171 L174 F176 V179 L203 I204V156-F160 HydrophobicContact CG1-CD2 3.5Å; V156-F160 HydrophobicContact CG1-CE2 3.43Å; V156-F160 VanDerWaalsContact CG1-CE2 3.43Å; V156-F160 WeakPolarHBondContact O-CD2 3.48Å; V156-F160 PolarHBondContact O-N 2.82Å; R157-F160 PolarHBondContact O-N 3.03Å; I158-F160 PolarHBondContact O-N 2.96Å; F160-N164 WeakPolarHBondContact O-CB 3.49Å; F160-N164 PolarHBondContact O-N 2.76Å; F160-C171 HydrophobicContact CD1-CB 4.08Å; F160-C171 HydrophobicContact CE1-CB 3.97Å; F160-L174 HydrophobicContact CD1-CB 4.14Å; F160-L174 HydrophobicContact CE1-CB 4.02Å; F160-L174 HydrophobicContact CE1-CD1 4.37Å; F160-F176 HydrophobicContact CB-CB 4.15Å; F160-V179 HydrophobicContact CD1-CG2 3.72Å; F160-V179 HydrophobicContact CD2-CB 4.33Å; F160-V179 HydrophobicContact CD2-CG1 4.12Å; F160-V179 HydrophobicContact CD2-CG2 3.81Å; F160-V179 HydrophobicContact CE1-CG2 3.58Å; F160-V179 HydrophobicContact CE2-CB 4.28Å; F160-V179 HydrophobicContact CE2-CG1 3.76Å; F160-V179 HydrophobicContact CE2-CG2 3.69Å; F160-V179 HydrophobicContact CG-CG2 3.85Å; F160-V179 HydrophobicContact CZ-CG1 4.27Å; F160-V179 HydrophobicContact CZ-CG2 3.58Å; F160-L203 HydrophobicContact CE1-CB 4.2Å; F160-L203 HydrophobicContact CE1-CD1 4.22Å; F160-L203 HydrophobicContact CE2-CB 3.87Å; F160-L203 HydrophobicContact CZ-CB 3.54Å; F160-L203 HydrophobicContact CZ-CD1 4.33Å; F160-I204 HydrophobicContact CE1-CD1 4.32Å; F160-I204 HydrophobicContact CE2-CD1 4.31Å; F160-I204 HydrophobicContact CZ-CD1 3.56Å; F160-I204 HydrophobicContact CZ-CG1 4.21Å
161E91.1Very high92.2Very high59 Ų5947.5 Ų47.528%0.27622%0.221SC..Hα-helixtrans-61.7-46.8173.3-73171.4176.300111.6R157 I158 N165 F176R157-E161 IonicContact CZ-OE1 3.18Å; R157-E161 IonicContact CZ-OE2 3.97Å; R157-E161 IonicContact NH1-OE1 2.71Å; R157-E161 PolarHBondContact NH1-OE1 2.89Å; R157-E161 IonicContact NH1-OE2 3.17Å; R157-E161 PolarHBondContact NH1-OE2 2.83Å; R157-E161 PolarHBondContact O-N 3.5Å; R157-E161 VanDerWaalsContact O-N 3.17Å; I158-E161 PolarHBondContact O-N 2.98Å; E161-N165 VanDerWaalsContact O-CG 3.27Å; E161-N165 PolarHBondContact O-N 3.07Å; E161-N165 PolarHBondContact O-ND2 3.33Å; E161-F176 HydrophobicContact CG-CD1 3.5Å; E161-F176 HydrophobicContact CG-CE1 4.05Å; E161-F176 HydrophobicContact CG-CG 4.26Å; E161-F176 WeakPolarHBondContact OE1-CD1 3.36Å; E161-F176 WeakPolarHBondContact OE1-CE1 3.41Å
162I91.6Very high92.1Very high16 Ų1648 Ų488%0.08222%0.224CC..Hα-helixtrans-63.7-50.2178.1-67.9166000111.2L10 L12 Y17 I158 C159 N165 I166L10-I162 HydrophobicContact CD1-CD1 4.07Å; L12-I162 HydrophobicContact CD1-CD1 4.22Å; L12-I162 HydrophobicContact CD2-CD1 3.32Å; L12-I162 HydrophobicContact CD2-CG1 4.13Å; L12-I162 HydrophobicContact CG-CD1 4.44Å; Y17-I162 HydrophobicContact CD1-CG2 3.25Å; Y17-I162 HydrophobicContact CD2-CG2 3.86Å; Y17-I162 HydrophobicContact CE1-CG2 3.49Å; Y17-I162 VanDerWaalsContact CE1-CG2 3.49Å; Y17-I162 HydrophobicContact CE2-CG2 4.08Å; Y17-I162 HydrophobicContact CG-CG2 3.41Å; Y17-I162 VanDerWaalsContact CG-CG2 3.41Å; I158-I162 HydrophobicContact CG2-CD1 3.67Å; I158-I162 HydrophobicContact CG2-CG1 4.33Å; I158-I162 WeakPolarHBondContact O-CD1 3.43Å; I158-I162 VanDerWaalsContact O-CG1 3.25Å; I158-I162 WeakPolarHBondContact O-CG1 3.24Å; I158-I162 PolarHBondContact O-N 2.7Å; C159-I162 PolarHBondContact O-N 2.66Å; I162-N165 PolarHBondContact O-N 2.83Å; I162-I166 HydrophobicContact CG2-CD1 3.95Å; I162-I166 WeakPolarHBondContact O-CB 3.5Å; I162-I166 WeakPolarHBondContact O-CG1 3.43Å; I162-I166 PolarHBondContact O-N 2.98Å
163Y91.3Very high91.7Very high11 Ų1146.7 Ų46.74%0.04322%0.222CC..Hα-helixtrans-65.5-43.8-176-87.1-128.9000110.8Y17 C159 N165 I166 R167 P168 K170 C171 L203 E234Y17-Y163 WeakPolarHBondContact OH-CE2 3.36Å; C159-Y163 WeakPolarHBondContact O-CB 3.49Å; C159-Y163 WeakPolarHBondContact O-CD2 3.32Å; C159-Y163 PolarHBondContact O-N 3.42Å; Y163-N165 PolarHBondContact O-N 3.26Å; Y163-I166 PolarHBondContact O-N 3.25Å; Y163-R167 CarbonylContact O-C 3.55Å; Y163-R167 VanDerWaalsContact O-CA 3.29Å; Y163-R167 WeakPolarHBondContact O-CA 3.37Å; Y163-R167 PolarHBondContact O-N 3.17Å; Y163-P168 WeakPolarHBondContact O-CA 3.28Å; Y163-K170 HydrophobicContact CD1-CB 3.54Å; Y163-K170 HydrophobicContact CE1-CB 3.69Å; Y163-K170 HydrophobicContact CE1-CG 4.41Å; Y163-C171 HydrophobicContact CD1-CB 4.36Å; Y163-L203 HydrophobicContact CD1-CD1 3.45Å; Y163-L203 VanDerWaalsContact CD1-CD1 3.45Å; Y163-L203 HydrophobicContact CD2-CD1 4.44Å; Y163-L203 HydrophobicContact CE1-CD1 3.73Å; Y163-L203 HydrophobicContact CE1-CG 4.43Å; Y163-L203 HydrophobicContact CG-CD1 3.84Å; Y163-E234 WeakPolarHBondContact CE2-OE1 3.35Å; Y163-E234 WeakPolarHBondContact OH-CG 3.19Å; Y163-E234 PolarHBondContact OH-OE1 2.82Å
164N90Very high91.6Very high32 Ų3244.3 Ų44.317%0.17121%0.212CC..Hα-helixtrans-58.5-35.1177.4-177.163.9000112.3F160 G173F160-N164 WeakPolarHBondContact O-CB 3.49Å; F160-N164 PolarHBondContact O-N 2.76Å; N164-G173 PolarHBondContact OD1-O 3.48Å; N164-G173 VanDerWaalsContact OD1-O 3.07Å
165N87.8Confident91.5Very high122 Ų12244.8 Ų44.865%0.65221%0.213SC*.Hα-helixtrans-84-35.5-178.4-68.9-13.5000113.7E161 I162 Y163E161-N165 VanDerWaalsContact O-CG 3.27Å; E161-N165 PolarHBondContact O-N 3.07Å; E161-N165 PolarHBondContact O-ND2 3.33Å; I162-N165 PolarHBondContact O-N 2.83Å; Y163-N165 PolarHBondContact O-N 3.26Å
166I88.9Confident91.5Very high62 Ų6242.9 Ų42.932%0.31821%0.205SC..Hα-helixtrans-109.3-33.2-169.1-56.6175.2000112.2H15 Y17 I162 Y163H15-I166 WeakPolarHBondContact O-CD1 3.25Å; Y17-I166 HydrophobicContact CD1-CD1 3.59Å; Y17-I166 HydrophobicContact CE1-CD1 4.25Å; Y17-I166 HydrophobicContact CE1-CG2 4.34Å; I162-I166 HydrophobicContact CG2-CD1 3.95Å; I162-I166 WeakPolarHBondContact O-CB 3.5Å; I162-I166 WeakPolarHBondContact O-CG1 3.43Å; I162-I166 PolarHBondContact O-N 2.98Å; Y163-I166 PolarHBondContact O-N 3.25Å
167R89.1Confident91.5Very high97 Ų9743.7 Ų43.737%0.36621%0.209SC..  trans-143.557.5-174.3-60.1-176.2-174.6158.92.3111.8Y17 Y163 E169 K170 E234Y17-R167 PolarHBondContact OH-NH1 2.93Å; Y163-R167 CarbonylContact O-C 3.55Å; Y163-R167 VanDerWaalsContact O-CA 3.29Å; Y163-R167 WeakPolarHBondContact O-CA 3.37Å; Y163-R167 PolarHBondContact O-N 3.17Å; R167-E169 VanDerWaalsContact CA-OE2 3.27Å; R167-E169 WeakPolarHBondContact CA-OE2 3.26Å; R167-E169 WeakPolarHBondContact CB-OE1 3.48Å; R167-E169 PolarHBondContact O-N 2.83Å; R167-E169 VanDerWaalsContact O-N 3.1Å; R167-K170 HydrophobicContact CB-CB 4.26Å; R167-K170 HydrophobicContact CB-CG 3.97Å; R167-K170 WeakPolarHBondContact O-CB 3.42Å; R167-K170 PolarHBondContact O-N 2.95Å; R167-E234 IonicContact NH1-OE2 2.58Å
168P90.7Very high91.6Very high56 Ų5637.7 Ų37.736%0.36419%0.186SC..G310 helixtrans-58.6-28.1-173.322.8-33.7000112.7Y163 K170 C171 L172 G173Y163-P168 WeakPolarHBondContact O-CA 3.28Å; P168-K170 PolarHBondContact O-N 2.8Å; P168-C171 CarbonylContact O-C 3.58Å; P168-C171 PolarHBondContact O-N 3.45Å; P168-L172 CarbonylContact O-C 3.57Å; P168-L172 PolarHBondContact O-N 3.35Å; P168-G173 PolarHBondContact O-N 2.92Å
169E90Very high91.7Very high123 Ų12337.3 Ų37.358%0.57519%0.185SC*.G310 helixtrans-62.5-25.6176.176.2-67.9165.100113.6R167R167-E169 VanDerWaalsContact CA-OE2 3.27Å; R167-E169 WeakPolarHBondContact CA-OE2 3.26Å; R167-E169 WeakPolarHBondContact CB-OE1 3.48Å; R167-E169 PolarHBondContact O-N 2.83Å; R167-E169 VanDerWaalsContact O-N 3.1Å
170K90.5Very high91.8Very high97 Ų9740.1 Ų40.142%0.42220%0.204SC..G310 helixtrans-80.8-21179.7-67.5-67.8-176.7179.50113.4Y163 R167 P168 C200 S201Y163-K170 HydrophobicContact CD1-CB 3.54Å; Y163-K170 HydrophobicContact CE1-CB 3.69Å; Y163-K170 HydrophobicContact CE1-CG 4.41Å; R167-K170 HydrophobicContact CB-CB 4.26Å; R167-K170 HydrophobicContact CB-CG 3.97Å; R167-K170 WeakPolarHBondContact O-CB 3.42Å; R167-K170 PolarHBondContact O-N 2.95Å; P168-K170 PolarHBondContact O-N 2.8Å; K170-C200 CarbonylContact O-C 3.57Å; K170-C200 VanDerWaalsContact O-CA 3.26Å; K170-C200 WeakPolarHBondContact O-CA 3.29Å; K170-S201 PolarHBondContact O-OG 3.23Å
171C92.8Very high92Very high0 Ų042.2 Ų42.20%021%0.212CC..THydrogen-bonded Turntrans-121.116.5179.867.30000113.2F160 Y163 P168 G173 L174 L203F160-C171 HydrophobicContact CD1-CB 4.08Å; F160-C171 HydrophobicContact CE1-CB 3.97Å; Y163-C171 HydrophobicContact CD1-CB 4.36Å; P168-C171 CarbonylContact O-C 3.58Å; P168-C171 PolarHBondContact O-N 3.45Å; C171-G173 PolarHBondContact O-N 2.93Å; C171-G173 VanDerWaalsContact O-N 3.16Å; C171-L174 VanDerWaalsContact O-CB 3.24Å; C171-L174 WeakPolarHBondContact O-CB 3.37Å; C171-L174 WeakPolarHBondContact O-CG 3.07Å; C171-L174 PolarHBondContact O-N 2.97Å; C171-L203 HydrophobicContact CB-CD1 4.05Å
172L93.2Very high92.3Very high11 Ų1139.4 Ų39.46%0.05820%0.199CC..THydrogen-bonded Turntrans55.428-175.6-52.4178.1000114P168 L174 V338 R340 Y363 Q365P168-L172 CarbonylContact O-C 3.57Å; P168-L172 PolarHBondContact O-N 3.35Å; L172-L174 PolarHBondContact O-N 2.69Å; L172-V338 HydrophobicContact CD1-CG1 4.24Å; L172-R340 HydrophobicContact CD2-CB 3.9Å; L172-Y363 HydrophobicContact CB-CE1 4.02Å; L172-Y363 HydrophobicContact CD1-CD1 4.33Å; L172-Y363 HydrophobicContact CD1-CE1 3.94Å; L172-Y363 PolarHBondContact O-OH 2.86Å; L172-Y363 VanDerWaalsContact O-OH 3.07Å; L172-Q365 HydrophobicContact CB-CG 4.33Å; L172-Q365 PolarHBondContact O-NE2 3.28Å
173G89.5Confident92.6Very high17 Ų1739.3 Ų39.318%0.17520%0.198CC..THydrogen-bonded Turntrans6614.4-175.300000113.9N164 P168 C171 R175 N413N164-G173 PolarHBondContact OD1-O 3.48Å; N164-G173 VanDerWaalsContact OD1-O 3.07Å; P168-G173 PolarHBondContact O-N 2.92Å; C171-G173 PolarHBondContact O-N 2.93Å; C171-G173 VanDerWaalsContact O-N 3.16Å; G173-R175 PolarHBondContact O-N 3.19Å; G173-N413 WeakPolarHBondContact O-CB 3.46Å
174L92.5Very high92.9Very high0 Ų042.1 Ų42.10%022%0.22CC..  trans-64.9129.8176.6-79.9168.8000110.2F160 C171 L172 T178 V179 I182 I204 V338 Y363F160-L174 HydrophobicContact CD1-CB 4.14Å; F160-L174 HydrophobicContact CE1-CB 4.02Å; F160-L174 HydrophobicContact CE1-CD1 4.37Å; C171-L174 VanDerWaalsContact O-CB 3.24Å; C171-L174 WeakPolarHBondContact O-CB 3.37Å; C171-L174 WeakPolarHBondContact O-CG 3.07Å; C171-L174 PolarHBondContact O-N 2.97Å; L172-L174 PolarHBondContact O-N 2.69Å; L174-T178 HydrophobicContact CD2-CG2 3.55Å; L174-V179 HydrophobicContact CB-CG2 4.26Å; L174-V179 HydrophobicContact CD1-CG2 4.44Å; L174-I182 HydrophobicContact CD2-CD1 4.42Å; L174-I204 HydrophobicContact CD1-CD1 4.22Å; L174-V338 HydrophobicContact CD1-CG1 3.52Å; L174-Y363 HydrophobicContact CD1-CD1 4.22Å; L174-Y363 HydrophobicContact CD1-CE1 4.01Å; L174-Y363 HydrophobicContact CD2-CD1 4.26Å; L174-Y363 HydrophobicContact CD2-CD2 3.7Å; L174-Y363 HydrophobicContact CD2-CE1 3.87Å; L174-Y363 HydrophobicContact CD2-CE2 3.25Å; L174-Y363 HydrophobicContact CD2-CG 4.17Å; L174-Y363 HydrophobicContact CG-CD1 4.42Å; L174-Y363 HydrophobicContact CG-CE1 3.81Å; L174-Y363 HydrophobicContact CG-CE2 4.09Å
175R91.4Very high93.3Very high13 Ų1343.7 Ų43.75%0.04922%0.224CC..  trans-89.6159.7164.9-57.2-177.1-50.6-135.2-13109.2G173 D177 T178 V179 S391 F393 S410 C411 N413G173-R175 PolarHBondContact O-N 3.19Å; R175-D177 WeakPolarHBondContact CB-OD1 3.38Å; R175-D177 IonicContact CZ-OD1 2.87Å; R175-D177 IonicContact CZ-OD2 2.7Å; R175-D177 IonicContact NE-OD1 2.82Å; R175-D177 PolarHBondContact NE-OD1 3.14Å; R175-D177 IonicContact NE-OD2 3.91Å; R175-D177 IonicContact NH2-OD1 2.79Å; R175-D177 IonicContact NH2-OD2 2.8Å; R175-D177 PolarHBondContact NH2-OD2 3Å; R175-D177 PolarHBondContact O-N 2.83Å; R175-T178 PolarHBondContact O-N 2.95Å; R175-V179 PolarHBondContact O-N 3.15Å; R175-S391 PolarHBondContact NH2-O 3.34Å; R175-F393 VanDerWaalsContact NH2-CB 3.33Å; R175-S410 PolarHBondContact NH1-O 3.42Å; R175-C411 PolarHBondContact NH1-O 3.47Å; R175-N413 WeakPolarHBondContact CB-ND2 3.43Å; R175-N413 HydrophobicContact CG-CB 4.18Å; R175-N413 WeakPolarHBondContact CG-ND2 3.35Å; R175-N413 PolarHBondContact N-ND2 3.3Å; R175-N413 PolarHBondContact NE-ND2 2.77Å
176F93.1Very high93.8Very high36 Ų3638 Ų3816%0.15819%0.193CC..Hα-helixtrans-58.9-31.9-178.571.4-87.7000113.3R157 F160 E161 T178 V179 C180 F393R157-F176 HydrophobicContact CG-CB 4.1Å; R157-F176 HydrophobicContact CG-CD2 4.15Å; R157-F176 HydrophobicContact CG-CG 4.2Å; F160-F176 HydrophobicContact CB-CB 4.15Å; E161-F176 HydrophobicContact CG-CD1 3.5Å; E161-F176 HydrophobicContact CG-CE1 4.05Å; E161-F176 HydrophobicContact CG-CG 4.26Å; E161-F176 WeakPolarHBondContact OE1-CD1 3.36Å; E161-F176 WeakPolarHBondContact OE1-CE1 3.41Å; F176-T178 PolarHBondContact O-N 2.58Å; F176-V179 WeakPolarHBondContact O-CB 3.42Å; F176-V179 PolarHBondContact O-N 2.93Å; F176-C180 PolarHBondContact O-N 3.41Å; F176-C180 PolarHBondContact O-SG 3.33Å; F176-F393 HydrophobicContact CE1-CE1 4.34Å; F176-F393 HydrophobicContact CE1-CZ 4.31Å; F176-F393 HydrophobicContact CE2-CE2 4.32Å; F176-F393 HydrophobicContact CE2-CZ 4.47Å; F176-F393 HydrophobicContact CZ-CD2 4.44Å; F176-F393 HydrophobicContact CZ-CE1 4.05Å; F176-F393 AromaticContact CZ-CE2 3.78Å; F176-F393 HydrophobicContact CZ-CE2 3.78Å; F176-F393 AromaticContact CZ-CZ 3.57Å; F176-F393 HydrophobicContact CZ-CZ 3.57Å
177D94Very high94.2Very high22 Ų2239.7 Ų39.712%0.11820%0.203CC..Hα-helixtrans-63-42.1179.860.6-63000112R175 V179 C180 R181 F393R175-D177 WeakPolarHBondContact CB-OD1 3.38Å; R175-D177 IonicContact CZ-OD1 2.87Å; R175-D177 IonicContact CZ-OD2 2.7Å; R175-D177 IonicContact NE-OD1 2.82Å; R175-D177 PolarHBondContact NE-OD1 3.14Å; R175-D177 IonicContact NE-OD2 3.91Å; R175-D177 IonicContact NH2-OD1 2.79Å; R175-D177 IonicContact NH2-OD2 2.8Å; R175-D177 PolarHBondContact NH2-OD2 3Å; R175-D177 PolarHBondContact O-N 2.83Å; D177-V179 VanDerWaalsContact C-N 3.34Å; D177-C180 WeakPolarHBondContact O-CB 3.38Å; D177-C180 PolarHBondContact O-N 3.28Å; D177-R181 WeakPolarHBondContact O-CG 3.38Å; D177-R181 PolarHBondContact O-N 2.88Å; D177-F393 HydrophobicContact CB-CD2 4.02Å
178T95.2Very high94.7Very high0 Ų035 Ų350%019%0.185CC..Hα-helixtrans-68.2-36.6176-51.60000111.5L174 R175 F176 R181 I182 Y363 S391 N413 L416L174-T178 HydrophobicContact CD2-CG2 3.55Å; R175-T178 PolarHBondContact O-N 2.95Å; F176-T178 PolarHBondContact O-N 2.58Å; T178-R181 WeakPolarHBondContact O-CB 3.31Å; T178-R181 PolarHBondContact O-N 3.04Å; T178-R181 VanDerWaalsContact O-N 3.17Å; T178-I182 HydrophobicContact CG2-CD1 4.37Å; T178-I182 WeakPolarHBondContact O-CG1 3.46Å; T178-I182 PolarHBondContact O-N 3.19Å; T178-Y363 HydrophobicContact CG2-CD2 4.21Å; T178-Y363 HydrophobicContact CG2-CE2 4.29Å; T178-S391 PolarHBondContact OG1-OG 2.92Å; T178-N413 PolarHBondContact OG1-ND2 2.91Å; T178-N413 PolarHBondContact OG1-OD1 3.15Å; T178-L416 HydrophobicContact CG2-CD1 4.19Å; T178-L416 HydrophobicContact CG2-CD2 4.21Å; T178-L416 HydrophobicContact CG2-CG 4.26Å
179V96.1Very high94.9Very high6 Ų636.1 Ų36.14%0.03619%0.185CC..Hα-helixtrans-62.7-43.5173179.40000110.7F160 L174 R175 F176 D177 R181 I182 L183 I204 A207F160-V179 HydrophobicContact CD1-CG2 3.72Å; F160-V179 HydrophobicContact CD2-CB 4.33Å; F160-V179 HydrophobicContact CD2-CG1 4.12Å; F160-V179 HydrophobicContact CD2-CG2 3.81Å; F160-V179 HydrophobicContact CE1-CG2 3.58Å; F160-V179 HydrophobicContact CE2-CB 4.28Å; F160-V179 HydrophobicContact CE2-CG1 3.76Å; F160-V179 HydrophobicContact CE2-CG2 3.69Å; F160-V179 HydrophobicContact CG-CG2 3.85Å; F160-V179 HydrophobicContact CZ-CG1 4.27Å; F160-V179 HydrophobicContact CZ-CG2 3.58Å; L174-V179 HydrophobicContact CB-CG2 4.26Å; L174-V179 HydrophobicContact CD1-CG2 4.44Å; R175-V179 PolarHBondContact O-N 3.15Å; F176-V179 WeakPolarHBondContact O-CB 3.42Å; F176-V179 PolarHBondContact O-N 2.93Å; D177-V179 VanDerWaalsContact C-N 3.34Å; V179-R181 VanDerWaalsContact C-N 3.27Å; V179-R181 PolarHBondContact O-N 2.59Å; V179-I182 PolarHBondContact O-N 3.01Å; V179-L183 HydrophobicContact CG1-CD1 4.09Å; V179-L183 HydrophobicContact CG1-CG 4.42Å; V179-L183 VanDerWaalsContact O-CG 3.3Å; V179-L183 WeakPolarHBondContact O-CG 3.17Å; V179-L183 PolarHBondContact O-N 2.82Å; V179-I204 HydrophobicContact CG1-CD1 4.27Å; V179-I204 HydrophobicContact CG2-CD1 4.19Å; V179-A207 HydrophobicContact CG1-CB 4.15Å
180C96Very high95.1Very high62 Ų6233.3 Ų33.342%0.41918%0.183SC..Hα-helixtrans-58.2-40.9173.2-68.50000111.6F176 D177 S184F176-C180 PolarHBondContact O-N 3.41Å; F176-C180 PolarHBondContact O-SG 3.33Å; D177-C180 WeakPolarHBondContact O-CB 3.38Å; D177-C180 PolarHBondContact O-N 3.28Å; C180-S184 VanDerWaalsContact O-CB 3.31Å; C180-S184 WeakPolarHBondContact O-CB 3.33Å; C180-S184 PolarHBondContact O-N 2.93Å; C180-S184 PolarHBondContact O-OG 3.35Å
181R96.7Very high95.1Very high45 Ų4529.8 Ų29.817%0.1718%0.175CC..Hα-helixtrans-65.4-42.9175.5-67.2177.971.7-160.42112.3D177 T178 V179 L183 S184 Y185 T389 D390 S391 L416D177-R181 WeakPolarHBondContact O-CG 3.38Å; D177-R181 PolarHBondContact O-N 2.88Å; T178-R181 WeakPolarHBondContact O-CB 3.31Å; T178-R181 PolarHBondContact O-N 3.04Å; T178-R181 VanDerWaalsContact O-N 3.17Å; V179-R181 VanDerWaalsContact C-N 3.27Å; V179-R181 PolarHBondContact O-N 2.59Å; R181-L183 PolarHBondContact O-N 3.15Å; R181-S184 PolarHBondContact O-N 3.15Å; R181-Y185 HydrophobicContact CB-CD2 4.15Å; R181-Y185 HydrophobicContact CB-CE2 3.96Å; R181-Y185 PolarHBondContact NH2-OH 3.5Å; R181-Y185 VanDerWaalsContact NH2-OH 3.14Å; R181-Y185 WeakPolarHBondContact O-CB 3.39Å; R181-Y185 WeakPolarHBondContact O-CD2 3.35Å; R181-Y185 PolarHBondContact O-N 3.39Å; R181-T389 PolarHBondContact NH2-OG1 2.94Å; R181-D390 PolarHBondContact NH1-O 3.25Å; R181-S391 PolarHBondContact NH1-OG 3.37Å; R181-L416 HydrophobicContact CB-CD1 3.81Å
182I98Very high95.1Very high0 Ų029.8 Ų29.80%018%0.175CC..Hα-helixtrans-56.7-52.4175.4-69.6162.4000110.1L174 T178 V179 S184 A186 V336 V338 V361 Y363 L416L174-I182 HydrophobicContact CD2-CD1 4.42Å; T178-I182 HydrophobicContact CG2-CD1 4.37Å; T178-I182 WeakPolarHBondContact O-CG1 3.46Å; T178-I182 PolarHBondContact O-N 3.19Å; V179-I182 PolarHBondContact O-N 3.01Å; I182-S184 VanDerWaalsContact C-N 3.33Å; I182-S184 PolarHBondContact O-N 2.81Å; I182-A186 VanDerWaalsContact O-CB 3.24Å; I182-A186 WeakPolarHBondContact O-CB 3.49Å; I182-A186 PolarHBondContact O-N 2.83Å; I182-V336 HydrophobicContact CG2-CG1 3.58Å; I182-V336 HydrophobicContact CG2-CG2 4.49Å; I182-V338 HydrophobicContact CD1-CG2 3.99Å; I182-V338 HydrophobicContact CG2-CG2 4.46Å; I182-V361 HydrophobicContact CB-CG1 4.37Å; I182-V361 HydrophobicContact CG1-CG1 4.09Å; I182-V361 HydrophobicContact CG2-CG1 4.22Å; I182-Y363 HydrophobicContact CD1-CG 4.48Å; I182-L416 HydrophobicContact CD1-CD2 4.03Å; I182-L416 HydrophobicContact CG1-CD1 4.18Å; I182-L416 HydrophobicContact CG1-CD2 3.56Å
183L98Very high95.2Very high13 Ų1329.4 Ų29.47%0.06817%0.173CC..Hα-helixtrans-63.8-37.4-178.5-63.5171000112.6V179 R181 N187 I188 A207 V208 R211V179-L183 HydrophobicContact CG1-CD1 4.09Å; V179-L183 HydrophobicContact CG1-CG 4.42Å; V179-L183 VanDerWaalsContact O-CG 3.3Å; V179-L183 WeakPolarHBondContact O-CG 3.17Å; V179-L183 PolarHBondContact O-N 2.82Å; R181-L183 PolarHBondContact O-N 3.15Å; L183-N187 PolarHBondContact O-N 3.14Å; L183-I188 HydrophobicContact CB-CG1 4.49Å; L183-I188 HydrophobicContact CD2-CB 4.46Å; L183-I188 HydrophobicContact CD2-CG1 4.02Å; L183-I188 WeakPolarHBondContact O-CG1 3.37Å; L183-I188 PolarHBondContact O-N 3.16Å; L183-A207 HydrophobicContact CD1-CB 3.97Å; L183-A207 HydrophobicContact CD2-CB 4.16Å; L183-V208 HydrophobicContact CD2-CG2 3.84Å; L183-R211 HydrophobicContact CD1-CG 4.05Å
184S97.9Very high95.5Very high71 Ų7128.6 Ų28.650%0.49716%0.164SC..Hα-helixtrans-74.7-44.6179.5-66.50000112.6C180 R181 I182 A186 N187C180-S184 VanDerWaalsContact O-CB 3.31Å; C180-S184 WeakPolarHBondContact O-CB 3.33Å; C180-S184 PolarHBondContact O-N 2.93Å; C180-S184 PolarHBondContact O-OG 3.35Å; R181-S184 PolarHBondContact O-N 3.15Å; I182-S184 VanDerWaalsContact C-N 3.33Å; I182-S184 PolarHBondContact O-N 2.81Å; S184-A186 VanDerWaalsContact C-N 3.33Å; S184-A186 PolarHBondContact O-N 2.78Å; S184-N187 WeakPolarHBondContact O-CA 3.33Å; S184-N187 PolarHBondContact O-N 3.25Å
185Y98.2Very high95.7Very high65 Ų6528.6 Ų28.626%0.25516%0.164SC..Hα-helixtrans-68.7-31.8178-68.3-42.7000112.7R181 N187 P359 L416 T418R181-Y185 HydrophobicContact CB-CD2 4.15Å; R181-Y185 HydrophobicContact CB-CE2 3.96Å; R181-Y185 PolarHBondContact NH2-OH 3.5Å; R181-Y185 VanDerWaalsContact NH2-OH 3.14Å; R181-Y185 WeakPolarHBondContact O-CB 3.39Å; R181-Y185 WeakPolarHBondContact O-CD2 3.35Å; R181-Y185 PolarHBondContact O-N 3.39Å; Y185-N187 PolarHBondContact O-N 2.85Å; Y185-P359 VanDerWaalsContact O-CB 3.29Å; Y185-P359 WeakPolarHBondContact O-CB 3.47Å; Y185-L416 HydrophobicContact CD2-CD1 4.2Å; Y185-L416 HydrophobicContact CE2-CD1 4.23Å; Y185-T418 HydrophobicContact CD2-CG2 3.75Å; Y185-T418 HydrophobicContact CE2-CG2 4.47Å; Y185-T418 HydrophobicContact CG-CG2 3.98Å
186A98.3Very high96Very high1 Ų128 Ų281%0.00816%0.162CC..THydrogen-bonded Turntrans-75.8-3.2171.300000112.9I182 S184 I188 S334 V336 P359 V361I182-A186 VanDerWaalsContact O-CB 3.24Å; I182-A186 WeakPolarHBondContact O-CB 3.49Å; I182-A186 PolarHBondContact O-N 2.83Å; S184-A186 VanDerWaalsContact C-N 3.33Å; S184-A186 PolarHBondContact O-N 2.78Å; A186-I188 VanDerWaalsContact C-N 3.29Å; A186-I188 HydrophobicContact CB-CD1 3.6Å; A186-I188 HydrophobicContact CB-CG1 3.92Å; A186-I188 PolarHBondContact O-N 3.02Å; A186-S334 WeakPolarHBondContact O-CB 2.93Å; A186-V336 HydrophobicContact CB-CG2 3.51Å; A186-P359 WeakPolarHBondContact O-CG 3.21Å; A186-V361 HydrophobicContact CB-CG2 3.83Å
187N98Very high96.2Very high98 Ų9826.3 Ų26.352%0.52416%0.155SC..THydrogen-bonded Turntrans53.243.3-178-169.234.7000112.8L183 S184 Y185 H189 P359L183-N187 PolarHBondContact O-N 3.14Å; S184-N187 WeakPolarHBondContact O-CA 3.33Å; S184-N187 PolarHBondContact O-N 3.25Å; Y185-N187 PolarHBondContact O-N 2.85Å; N187-H189 PolarHBondContact O-N 3.33Å; N187-H189 PolarHBondContact O-ND1 3.27Å; N187-P359 HydrophobicContact CB-CG 4.16Å
188I97.6Very high96.3Very high0 Ų025.6 Ų25.60%015%0.151CC..  trans-70121.6179.6-49.8-51.3000109.5L183 A186 V194 V208 R211 I212 S334 V336L183-I188 HydrophobicContact CB-CG1 4.49Å; L183-I188 HydrophobicContact CD2-CB 4.46Å; L183-I188 HydrophobicContact CD2-CG1 4.02Å; L183-I188 WeakPolarHBondContact O-CG1 3.37Å; L183-I188 PolarHBondContact O-N 3.16Å; A186-I188 VanDerWaalsContact C-N 3.29Å; A186-I188 HydrophobicContact CB-CD1 3.6Å; A186-I188 HydrophobicContact CB-CG1 3.92Å; A186-I188 PolarHBondContact O-N 3.02Å; I188-V194 HydrophobicContact CD1-CB 4.5Å; I188-V194 HydrophobicContact CD1-CG1 4Å; I188-V194 HydrophobicContact CD1-CG2 3.64Å; I188-V194 HydrophobicContact CG2-CG2 4.48Å; I188-V208 HydrophobicContact CG2-CG1 4.17Å; I188-R211 HydrophobicContact CB-CB 4.28Å; I188-R211 HydrophobicContact CG2-CB 3.61Å; I188-R211 PolarHBondContact O-NH2 3.45Å; I188-I212 HydrophobicContact CG2-CG1 4.15Å; I188-S334 VanDerWaalsContact CD1-OG 3.23Å; I188-S334 WeakPolarHBondContact CD1-OG 3.42Å; I188-V336 HydrophobicContact CD1-CG2 4.45Å
189H95.1Very high96.3Very high78 Ų7826.9 Ų26.936%0.36116%0.159SC..  trans-143.4174.5-175.262.8-86.4000111.4N187 G191 S192N187-H189 PolarHBondContact O-N 3.33Å; N187-H189 PolarHBondContact O-ND1 3.27Å; H189-G191 PolarHBondContact O-N 2.79Å; H189-S192 WeakPolarHBondContact O-CB 3.37Å; H189-S192 PolarHBondContact O-N 2.85Å; H189-S192 VanDerWaalsContact O-N 3.15Å; H189-S192 PolarHBondContact O-OG 3.18Å
190A94.8Very high96.2Very high64 Ų6426.6 Ų26.653%0.52916%0.157SC..THydrogen-bonded Turntrans-58.7126.6-177.900000111.4S192 I212A190-S192 VanDerWaalsContact C-N 3.34Å; A190-I212 WeakPolarHBondContact CA-O 3.43Å
191G90.4Very high96Very high24 Ų2425.1 Ų25.125%0.24715%0.148CC..THydrogen-bonded Turntrans81.11.4179.800000116.4H189 I212 G219H189-G191 PolarHBondContact O-N 2.79Å; G191-I212 PolarHBondContact N-O 3.35Å; G191-G219 VanDerWaalsContact C-CA 3.45Å; G191-G219 VanDerWaalsContact O-CA 3.25Å; G191-G219 WeakPolarHBondContact O-CA 3.32Å; G191-G219 PolarHBondContact O-N 2.87Å
192S93.8Very high95.9Very high0 Ų023 Ų230%014%0.14CC..  trans-67.2147.2-18066.20000112.9H189 A190 I212 G219 S220 D333H189-S192 WeakPolarHBondContact O-CB 3.37Å; H189-S192 PolarHBondContact O-N 2.85Å; H189-S192 VanDerWaalsContact O-N 3.15Å; H189-S192 PolarHBondContact O-OG 3.18Å; A190-S192 VanDerWaalsContact C-N 3.34Å; S192-I212 WeakPolarHBondContact O-CD1 3.27Å; S192-I212 WeakPolarHBondContact OG-CG1 3.33Å; S192-G219 VanDerWaalsContact O-CA 3.25Å; S192-G219 WeakPolarHBondContact O-CA 3.47Å; S192-S220 PolarHBondContact O-N 2.86Å; S192-S220 VanDerWaalsContact O-N 3.17Å; S192-D333 VanDerWaalsContact CA-OD2 3.27Å; S192-D333 WeakPolarHBondContact CA-OD2 3.4Å
193T94.2Very high95.8Very high2 Ų223 Ų231%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-101.3121.8168.7-680000110.7S220 I222 P330 D333T193-S220 CarbonylContact C-O 3.57Å; T193-S220 WeakPolarHBondContact CA-O 3.43Å; T193-S220 VanDerWaalsContact CG2-OG 3.25Å; T193-S220 WeakPolarHBondContact CG2-OG 3.3Å; T193-S220 PolarHBondContact OG1-OG 2.96Å; T193-S220 VanDerWaalsContact OG1-OG 3.09Å; T193-I222 HydrophobicContact CG2-CD1 4.4Å; T193-P330 WeakPolarHBondContact OG1-CG 3.35Å; T193-D333 PolarHBondContact N-OD2 3.17Å; T193-D333 PolarHBondContact O-N 3.25Å
194V96.9Very high95.7Very high0 Ų022.4 Ų22.40%014%0.137CC..EExtended strand (participates in β ladder)trans-118.5123.4-168.6-174.40000110.2I188 L196 V208 I212 S220 V221 I222 V336I188-V194 HydrophobicContact CD1-CB 4.5Å; I188-V194 HydrophobicContact CD1-CG1 4Å; I188-V194 HydrophobicContact CD1-CG2 3.64Å; I188-V194 HydrophobicContact CG2-CG2 4.48Å; V194-L196 HydrophobicContact CG1-CB 4.46Å; V194-V208 HydrophobicContact CB-CG1 4.04Å; V194-V208 HydrophobicContact CG1-CG1 4.24Å; V194-V208 HydrophobicContact CG2-CG1 3.77Å; V194-I212 HydrophobicContact CG2-CD1 4.04Å; V194-S220 PolarHBondContact N-O 3.47Å; V194-V221 WeakPolarHBondContact O-CA 3.37Å; V194-I222 PolarHBondContact O-N 3.19Å; V194-V336 HydrophobicContact CG1-CG2 4.18Å
195L97Very high95.6Very high0 Ų019 Ų190%011%0.113CC..EExtended strand (participates in β ladder)trans-78.9119.6164.6-55.4-179.2000107.7I222 F224 P332 S334 L335 V336 F353 L354L195-I222 HydrophobicContact CD2-CB 3.93Å; L195-I222 HydrophobicContact CD2-CD1 3.71Å; L195-I222 HydrophobicContact CD2-CG1 4.38Å; L195-I222 HydrophobicContact CD2-CG2 4.24Å; L195-F224 HydrophobicContact CB-CE2 4.05Å; L195-F224 HydrophobicContact CD2-CE2 4.07Å; L195-F224 HydrophobicContact CD2-CZ 4.44Å; L195-P332 HydrophobicContact CD1-CB 4.02Å; L195-P332 HydrophobicContact CD1-CG 4.28Å; L195-P332 HydrophobicContact CD2-CB 3.98Å; L195-P332 HydrophobicContact CD2-CG 3.85Å; L195-P332 HydrophobicContact CG-CB 3.76Å; L195-P332 HydrophobicContact CG-CG 4.14Å; L195-S334 PolarHBondContact N-O 2.87Å; L195-L335 HydrophobicContact CB-CB 4.39Å; L195-L335 HydrophobicContact CB-CD1 3.65Å; L195-L335 HydrophobicContact CD1-CD1 4.47Å; L195-L335 CarbonylContact O-C 3.53Å; L195-L335 WeakPolarHBondContact O-CA 3.3Å; L195-V336 PolarHBondContact O-N 2.65Å; L195-F353 HydrophobicContact CD1-CB 3.58Å; L195-L354 HydrophobicContact CD1-CB 4.4Å
196L97.4Very high95.5Very high0 Ų016 Ų160%010%0.101CC..EExtended strand (participates in β ladder)trans-130.1124-174.1176.661.4000110.9V194 E198 I204 T205 V221 I222 Q223 F224 V336V194-L196 HydrophobicContact CG1-CB 4.46Å; L196-E198 HydrophobicContact CD1-CB 4.25Å; L196-I204 HydrophobicContact CD1-CB 4.42Å; L196-I204 HydrophobicContact CD1-CG2 3.61Å; L196-I204 HydrophobicContact CD2-CG2 4.25Å; L196-T205 WeakPolarHBondContact CD2-OG1 3.25Å; L196-V221 HydrophobicContact CB-CG1 3.83Å; L196-V221 HydrophobicContact CD2-CG1 3.78Å; L196-V221 HydrophobicContact CG-CG1 4.46Å; L196-I222 PolarHBondContact N-O 2.91Å; L196-Q223 CarbonylContact O-C 3.57Å; L196-Q223 VanDerWaalsContact O-CA 3.31Å; L196-Q223 WeakPolarHBondContact O-CA 3.33Å; L196-F224 PolarHBondContact O-N 3Å; L196-V336 CarbonylContact C-O 3.57Å; L196-V336 WeakPolarHBondContact CA-O 3.09Å; L196-V336 HydrophobicContact CD1-CB 3.83Å; L196-V336 HydrophobicContact CD1-CG1 3.68Å
197C97.2Very high95.3Very high2 Ų216.1 Ų16.11%0.01410%0.102CC..EExtended strand (participates in β ladder)trans-116120.8161.8-172.60000108.9F224 V336 I337 V338 L346 L350C197-F224 HydrophobicContact CB-CB 4.12Å; C197-F224 PolarHBondContact SG-O 3.32Å; C197-V336 PolarHBondContact N-O 3.37Å; C197-I337 HydrophobicContact CB-CG1 4.31Å; C197-I337 CarbonylContact O-C 3.59Å; C197-I337 WeakPolarHBondContact O-CA 3.38Å; C197-V338 PolarHBondContact O-N 3.44Å; C197-L346 HydrophobicContact CB-CD2 4.41Å; C197-L350 HydrophobicContact CB-CD1 3.93Å
198E96.1Very high95.3Very high6 Ų611.5 Ų11.53%0.0288%0.077CC..EExtended strand (participates in β ladder)trans-135.4154.1178.972.8152.9138.200114.3L196 C200 G202 L203 I204 T205 P231 V338L196-E198 HydrophobicContact CD1-CB 4.25Å; E198-C200 WeakPolarHBondContact OE2-CA 3.29Å; E198-C200 VanDerWaalsContact OE2-CB 3.29Å; E198-C200 WeakPolarHBondContact OE2-CB 3.37Å; E198-C200 PolarHBondContact OE2-N 3.28Å; E198-G202 WeakPolarHBondContact OE1-CA 3.48Å; E198-G202 PolarHBondContact OE1-N 3.09Å; E198-G202 PolarHBondContact OE2-N 2.76Å; E198-L203 PolarHBondContact OE2-N 3.22Å; E198-I204 HydrophobicContact CB-CB 4.14Å; E198-I204 HydrophobicContact CB-CG1 4.39Å; E198-I204 HydrophobicContact CG-CB 4.41Å; E198-I204 PolarHBondContact OE1-N 3.31Å; E198-I204 PolarHBondContact OE2-N 3.17Å; E198-T205 WeakPolarHBondContact OE1-CB 3.24Å; E198-T205 PolarHBondContact OE1-N 3.01Å; E198-T205 PolarHBondContact OE1-OG1 3.29Å; E198-P231 HydrophobicContact CG-CG 4.36Å; E198-V338 CarbonylContact C-O 3.54Å; E198-V338 VanDerWaalsContact CA-O 3.25Å; E198-V338 WeakPolarHBondContact CA-O 3.3Å; E198-V338 HydrophobicContact CB-CB 4.39Å
199T94.9Very high95.1Very high27 Ų2711.5 Ų11.517%0.1668%0.078CC..  trans-127.329.1169.758.70000112.1V338 T339 R340 F341T199-V338 PolarHBondContact N-O 2.91Å; T199-V338 PolarHBondContact OG1-O 3.03Å; T199-T339 WeakPolarHBondContact OG1-CA 3.19Å; T199-R340 HydrophobicContact CG2-CG 4.13Å; T199-R340 PolarHBondContact OG1-N 3.07Å; T199-F341 HydrophobicContact CG2-CD2 4.13Å; T199-F341 HydrophobicContact CG2-CE2 3.73Å; T199-F341 HydrophobicContact CG2-CZ 4.39Å
200C94.6Very high95.1Very high0 Ų010.7 Ų10.70%07%0.074CC..SBendtrans-102.638.2178-63.80000112.5K170 E198 G202 L203 I204 V338K170-C200 CarbonylContact O-C 3.57Å; K170-C200 VanDerWaalsContact O-CA 3.26Å; K170-C200 WeakPolarHBondContact O-CA 3.29Å; E198-C200 WeakPolarHBondContact OE2-CA 3.29Å; E198-C200 VanDerWaalsContact OE2-CB 3.29Å; E198-C200 WeakPolarHBondContact OE2-CB 3.37Å; E198-C200 PolarHBondContact OE2-N 3.28Å; C200-G202 PolarHBondContact O-N 3.02Å; C200-G202 VanDerWaalsContact O-N 3.14Å; C200-L203 HydrophobicContact CB-CB 4.49Å; C200-L203 VanDerWaalsContact O-CB 3.29Å; C200-L203 WeakPolarHBondContact O-CB 3.39Å; C200-L203 WeakPolarHBondContact O-CG 3.28Å; C200-L203 PolarHBondContact O-N 3.48Å; C200-I204 HydrophobicContact CB-CG1 4.04Å; C200-V338 VanDerWaalsContact SG-CG1 3.57Å
201S91.8Very high95.1Very high32 Ų3212.6 Ų12.622%0.2247%0.068CC..THydrogen-bonded Turntrans55.331.9176.4-46.20000114.6K170 L203 K232 S233K170-S201 PolarHBondContact O-OG 3.23Å; S201-L203 VanDerWaalsContact C-N 3.32Å; S201-L203 PolarHBondContact O-N 2.8Å; S201-K232 CarbonylContact O-C 3.46Å; S201-K232 VanDerWaalsContact O-C 3.22Å; S201-S233 WeakPolarHBondContact O-CA 3.49Å; S201-S233 VanDerWaalsContact O-CB 3.24Å; S201-S233 WeakPolarHBondContact O-CB 3.34Å; S201-S233 PolarHBondContact O-N 3.22Å
202G93.7Very high95.3Very high0 Ų011.5 Ų11.50%06%0.056CC..THydrogen-bonded Turntrans84.91.7178.900000114.2E198 C200 A206E198-G202 WeakPolarHBondContact OE1-CA 3.48Å; E198-G202 PolarHBondContact OE1-N 3.09Å; E198-G202 PolarHBondContact OE2-N 2.76Å; C200-G202 PolarHBondContact O-N 3.02Å; C200-G202 VanDerWaalsContact O-N 3.14Å; G202-A206 PolarHBondContact O-N 3.42Å
203L95Very high95.1Very high0 Ų012.4 Ų12.40%07%0.065CC..Hα-helixtrans-72.1-35-177.4-72.9174.7000112.4C159 F160 Y163 C171 E198 C200 S201 A206 A207 S233 I235C159-L203 HydrophobicContact CB-CD2 4.02Å; F160-L203 HydrophobicContact CE1-CB 4.2Å; F160-L203 HydrophobicContact CE1-CD1 4.22Å; F160-L203 HydrophobicContact CE2-CB 3.87Å; F160-L203 HydrophobicContact CZ-CB 3.54Å; F160-L203 HydrophobicContact CZ-CD1 4.33Å; Y163-L203 HydrophobicContact CD1-CD1 3.45Å; Y163-L203 VanDerWaalsContact CD1-CD1 3.45Å; Y163-L203 HydrophobicContact CD2-CD1 4.44Å; Y163-L203 HydrophobicContact CE1-CD1 3.73Å; Y163-L203 HydrophobicContact CE1-CG 4.43Å; Y163-L203 HydrophobicContact CG-CD1 3.84Å; C171-L203 HydrophobicContact CB-CD1 4.05Å; E198-L203 PolarHBondContact OE2-N 3.22Å; C200-L203 HydrophobicContact CB-CB 4.49Å; C200-L203 VanDerWaalsContact O-CB 3.29Å; C200-L203 WeakPolarHBondContact O-CB 3.39Å; C200-L203 WeakPolarHBondContact O-CG 3.28Å; C200-L203 PolarHBondContact O-N 3.48Å; S201-L203 VanDerWaalsContact C-N 3.32Å; S201-L203 PolarHBondContact O-N 2.8Å; L203-A206 PolarHBondContact O-N 2.85Å; L203-A207 PolarHBondContact O-N 3.44Å; L203-S233 VanDerWaalsContact CD2-OG 3.25Å; L203-S233 WeakPolarHBondContact CD2-OG 3.11Å; L203-I235 HydrophobicContact CD2-CD1 4.05Å
204I96.7Very high94.6Very high1 Ų114.9 Ų14.91%0.0058%0.078CC..Hα-helixtrans-70.8-38.9176.4-58.6-69.8000109.6F160 L174 V179 L196 E198 C200 A206 A207 V208 V336 V338F160-I204 HydrophobicContact CE1-CD1 4.32Å; F160-I204 HydrophobicContact CE2-CD1 4.31Å; F160-I204 HydrophobicContact CZ-CD1 3.56Å; F160-I204 HydrophobicContact CZ-CG1 4.21Å; L174-I204 HydrophobicContact CD1-CD1 4.22Å; V179-I204 HydrophobicContact CG1-CD1 4.27Å; V179-I204 HydrophobicContact CG2-CD1 4.19Å; L196-I204 HydrophobicContact CD1-CB 4.42Å; L196-I204 HydrophobicContact CD1-CG2 3.61Å; L196-I204 HydrophobicContact CD2-CG2 4.25Å; E198-I204 HydrophobicContact CB-CB 4.14Å; E198-I204 HydrophobicContact CB-CG1 4.39Å; E198-I204 HydrophobicContact CG-CB 4.41Å; E198-I204 PolarHBondContact OE1-N 3.31Å; E198-I204 PolarHBondContact OE2-N 3.17Å; C200-I204 HydrophobicContact CB-CG1 4.04Å; I204-A206 VanDerWaalsContact C-N 3.33Å; I204-A206 PolarHBondContact O-N 2.96Å; I204-A207 WeakPolarHBondContact O-CA 3.15Å; I204-A207 VanDerWaalsContact O-CB 3.29Å; I204-A207 WeakPolarHBondContact O-CB 3.01Å; I204-A207 PolarHBondContact O-N 3.39Å; I204-A207 VanDerWaalsContact O-N 3.09Å; I204-V208 HydrophobicContact CG2-CG2 4.37Å; I204-V208 WeakPolarHBondContact O-CG2 3Å; I204-V208 PolarHBondContact O-N 3.42Å; I204-V336 HydrophobicContact CG2-CG1 4.29Å; I204-V338 HydrophobicContact CD1-CG1 4.28Å; I204-V338 HydrophobicContact CD1-CG2 4.27Å; I204-V338 HydrophobicContact CG1-CB 4.16Å; I204-V338 HydrophobicContact CG1-CG1 4.04Å; I204-V338 HydrophobicContact CG1-CG2 4.13Å; I204-V338 HydrophobicContact CG2-CG2 4.31Å
205T95.9Very high94.1Very high0 Ų022.1 Ų22.10%012%0.117CC..Hα-helixtrans-57.1-46.7171.6-63.80000110.9L196 E198 A207 V208 L209 V221 Q223 Y243 V247L196-T205 WeakPolarHBondContact CD2-OG1 3.25Å; E198-T205 WeakPolarHBondContact OE1-CB 3.24Å; E198-T205 PolarHBondContact OE1-N 3.01Å; E198-T205 PolarHBondContact OE1-OG1 3.29Å; T205-A207 VanDerWaalsContact C-N 3.3Å; T205-A207 PolarHBondContact O-N 2.65Å; T205-V208 PolarHBondContact O-N 3.49Å; T205-L209 HydrophobicContact CG2-CD1 4.09Å; T205-L209 HydrophobicContact CG2-CG 4.4Å; T205-L209 WeakPolarHBondContact O-CG 3.41Å; T205-L209 PolarHBondContact O-N 3.48Å; T205-V221 HydrophobicContact CG2-CG1 4.5Å; T205-Q223 PolarHBondContact OG1-NE2 2.89Å; T205-Y243 HydrophobicContact CG2-CD2 4.42Å; T205-Y243 HydrophobicContact CG2-CE2 3.67Å; T205-V247 HydrophobicContact CG2-CG1 4.33Å; T205-V247 HydrophobicContact CG2-CG2 3.84Å
206A95.1Very high93.5Very high1 Ų126.7 Ų26.71%0.00814%0.138CC..Hα-helixtrans-60.2-40.4174.900000112.1V156 G202 L203 I204 V208 L209 E210 I235 Y239V156-A206 HydrophobicContact CG2-CB 3.74Å; G202-A206 PolarHBondContact O-N 3.42Å; L203-A206 PolarHBondContact O-N 2.85Å; I204-A206 VanDerWaalsContact C-N 3.33Å; I204-A206 PolarHBondContact O-N 2.96Å; A206-V208 PolarHBondContact O-N 3.05Å; A206-L209 PolarHBondContact O-N 3.44Å; A206-E210 PolarHBondContact O-N 3.05Å; A206-I235 HydrophobicContact CB-CD1 4.1Å; A206-I235 HydrophobicContact CB-CG1 4.42Å; A206-Y239 HydrophobicContact CB-CD2 4.26Å; A206-Y239 HydrophobicContact CB-CE2 3.97Å
207A95.9Very high92.9Very high4 Ų432.5 Ų32.53%0.03318%0.176CC..Hα-helixtrans-61.2-43.8177.100000112.2V156 V179 L183 L203 I204 T205 R211V156-A207 HydrophobicContact CB-CB 4.38Å; V156-A207 HydrophobicContact CG1-CB 3.55Å; V179-A207 HydrophobicContact CG1-CB 4.15Å; L183-A207 HydrophobicContact CD1-CB 3.97Å; L183-A207 HydrophobicContact CD2-CB 4.16Å; L203-A207 PolarHBondContact O-N 3.44Å; I204-A207 WeakPolarHBondContact O-CA 3.15Å; I204-A207 VanDerWaalsContact O-CB 3.29Å; I204-A207 WeakPolarHBondContact O-CB 3.01Å; I204-A207 PolarHBondContact O-N 3.39Å; I204-A207 VanDerWaalsContact O-N 3.09Å; T205-A207 VanDerWaalsContact C-N 3.3Å; T205-A207 PolarHBondContact O-N 2.65Å; A207-R211 WeakPolarHBondContact O-CG 3.11Å; A207-R211 PolarHBondContact O-N 3.32Å
208V96.5Very high92.4Very high0 Ų040 Ų400%021%0.208CC..Hα-helixtrans-66.9-45.6178171.50000110.5L183 I188 V194 I204 T205 A206 E210 R211 I212 V221L183-V208 HydrophobicContact CD2-CG2 3.84Å; I188-V208 HydrophobicContact CG2-CG1 4.17Å; V194-V208 HydrophobicContact CB-CG1 4.04Å; V194-V208 HydrophobicContact CG1-CG1 4.24Å; V194-V208 HydrophobicContact CG2-CG1 3.77Å; I204-V208 HydrophobicContact CG2-CG2 4.37Å; I204-V208 WeakPolarHBondContact O-CG2 3Å; I204-V208 PolarHBondContact O-N 3.42Å; T205-V208 PolarHBondContact O-N 3.49Å; A206-V208 PolarHBondContact O-N 3.05Å; V208-E210 VanDerWaalsContact C-N 3.33Å; V208-E210 PolarHBondContact O-N 3.14Å; V208-R211 PolarHBondContact O-N 3.49Å; V208-R211 VanDerWaalsContact O-N 3.08Å; V208-I212 HydrophobicContact CG1-CD1 3.52Å; V208-I212 HydrophobicContact CG1-CG1 4.15Å; V208-I212 WeakPolarHBondContact O-CG1 3.25Å; V208-I212 PolarHBondContact O-N 2.85Å; V208-V221 HydrophobicContact CB-CG2 4.42Å; V208-V221 HydrophobicContact CG1-CG2 3.58Å
209L94.9Very high92.2Very high1 Ų140.3 Ų40.31%0.00521%0.213CC..Hα-helixtrans-60.4-41.1177-71.9173.6000112.3T205 A206 R211 G213 V221 Y243 K246 V247T205-L209 HydrophobicContact CG2-CD1 4.09Å; T205-L209 HydrophobicContact CG2-CG 4.4Å; T205-L209 WeakPolarHBondContact O-CG 3.41Å; T205-L209 PolarHBondContact O-N 3.48Å; A206-L209 PolarHBondContact O-N 3.44Å; L209-R211 PolarHBondContact O-N 3.05Å; L209-G213 PolarHBondContact O-N 3.04Å; L209-G213 VanDerWaalsContact O-N 3.09Å; L209-V221 HydrophobicContact CD2-CG2 4.07Å; L209-V221 HydrophobicContact CG-CG2 4.49Å; L209-Y243 HydrophobicContact CD1-CD2 3.64Å; L209-Y243 HydrophobicContact CD1-CE2 4.31Å; L209-Y243 HydrophobicContact CD1-CG 4.37Å; L209-K246 HydrophobicContact CD2-CB 4.01Å; L209-K246 HydrophobicContact CD2-CD 4.36Å; L209-V247 HydrophobicContact CD1-CG2 3.88Å; L209-V247 HydrophobicContact CD2-CG2 4.07Å; L209-V247 HydrophobicContact CG-CG2 4.35Å
210E93.6Very high92.1Very high60 Ų6039.6 Ų39.628%0.2821%0.209SC..Hα-helixtrans-60.6-34.9175.7-175.9163.4-176.300111.7K155 V156 A206 V208 Y239K155-E210 WeakPolarHBondContact CD-OE1 3.22Å; K155-E210 IonicContact NZ-OE1 3.32Å; K155-E210 PolarHBondContact NZ-OE1 3.44Å; V156-E210 PolarHBondContact N-OE2 3.04Å; A206-E210 PolarHBondContact O-N 3.05Å; V208-E210 VanDerWaalsContact C-N 3.33Å; V208-E210 PolarHBondContact O-N 3.14Å; E210-Y239 HydrophobicContact CB-CE1 4.31Å; E210-Y239 PolarHBondContact OE2-OH 2.85Å
211R94.8Very high92.1Very high105 Ų10539.6 Ų39.640%0.39621%0.209SC..Hα-helixtrans-83.2-35.6-179.9-69.8-65.6-61.4-89.5-9.1114.7L183 I188 A207 V208 L209 G213L183-R211 HydrophobicContact CD1-CG 4.05Å; I188-R211 HydrophobicContact CB-CB 4.28Å; I188-R211 HydrophobicContact CG2-CB 3.61Å; I188-R211 PolarHBondContact O-NH2 3.45Å; A207-R211 WeakPolarHBondContact O-CG 3.11Å; A207-R211 PolarHBondContact O-N 3.32Å; V208-R211 PolarHBondContact O-N 3.49Å; V208-R211 VanDerWaalsContact O-N 3.08Å; L209-R211 PolarHBondContact O-N 3.05Å; R211-G213 PolarHBondContact O-N 2.8Å
212I94.3Very high92.2Very high0 Ų038.2 Ų38.20%020%0.199CC..Hα-helixtrans-64.5-27171.6-70.5172.6000110.6I188 A190 G191 S192 V194 V208 V221I188-I212 HydrophobicContact CG2-CG1 4.15Å; A190-I212 WeakPolarHBondContact CA-O 3.43Å; G191-I212 PolarHBondContact N-O 3.35Å; S192-I212 WeakPolarHBondContact O-CD1 3.27Å; S192-I212 WeakPolarHBondContact OG-CG1 3.33Å; V194-I212 HydrophobicContact CG2-CD1 4.04Å; V208-I212 HydrophobicContact CG1-CD1 3.52Å; V208-I212 HydrophobicContact CG1-CG1 4.15Å; V208-I212 WeakPolarHBondContact O-CG1 3.25Å; V208-I212 PolarHBondContact O-N 2.85Å; I212-V221 HydrophobicContact CD1-CG2 3.81Å
213G90.5Very high92.2Very high19 Ų1938.2 Ų38.220%0.19620%0.199CC..  trans95.8118.8-177.900000110L209 R211 D215 Q216 K246L209-G213 PolarHBondContact O-N 3.04Å; L209-G213 VanDerWaalsContact O-N 3.09Å; R211-G213 PolarHBondContact O-N 2.8Å; G213-D215 VanDerWaalsContact C-N 3.32Å; G213-D215 PolarHBondContact O-N 3.13Å; G213-Q216 PolarHBondContact O-N 3.27Å; G213-K246 PolarHBondContact O-NZ 3.24Å
214I84.3Confident92.2Very high55 Ų5538.2 Ų38.228%0.28220%0.199SC..THydrogen-bonded Turntrans-59.4-46.4-178.2-59.5175.3000109.7Y239 S242 K246I214-Y239 HydrophobicContact CD1-CD1 3.53Å; I214-Y239 HydrophobicContact CD1-CE1 3.58Å; I214-Y239 HydrophobicContact CG1-CD1 3.92Å; I214-Y239 HydrophobicContact CG1-CE1 4.24Å; I214-S242 WeakPolarHBondContact CA-OG 3.18Å; I214-S242 WeakPolarHBondContact CG2-OG 3.37Å; I214-S242 PolarHBondContact O-OG 2.84Å; I214-K246 PolarHBondContact O-NZ 3.31Å
215D84.7Confident92.1Very high152 Ų15239.5 Ų39.581%0.81320%0.204SC*.THydrogen-bonded Turntrans-90.73.4-174.2-49-48.9000114.1G213G213-D215 VanDerWaalsContact C-N 3.32Å; G213-D215 PolarHBondContact O-N 3.13Å
216Q84.5Confident92Very high96 Ų9645.1 Ų45.145%0.44923%0.23SC..  trans-79.1136.9178.2-67.5-61.6-39.400110.7G213 K218 K246G213-Q216 PolarHBondContact O-N 3.27Å; Q216-K218 PolarHBondContact O-N 3.14Å; Q216-K246 WeakPolarHBondContact O-CE 3.32Å; Q216-K246 PolarHBondContact O-NZ 2.96Å
217P85.2Confident91.7Very high122 Ų12246.9 Ų46.979%0.79225%0.248SC*.SBendtrans-71.2-22.5178.727.8-34.4000112.7
218K88.2Confident91.3Very high158 Ų15852.5 Ų52.569%0.68729%0.287SS*.SBendtrans-101.8163.9-177.8-65.2-174.6179.7-176.90111.8Q216Q216-K218 PolarHBondContact O-N 3.14Å
219G91.3Very high90.9Very high13 Ų1356.5 Ų56.513%0.13432%0.316CS..  trans94.9144.7176.900000112.3G191 S192 K246G191-G219 VanDerWaalsContact C-CA 3.45Å; G191-G219 VanDerWaalsContact O-CA 3.25Å; G191-G219 WeakPolarHBondContact O-CA 3.32Å; G191-G219 PolarHBondContact O-N 2.87Å; S192-G219 VanDerWaalsContact O-CA 3.25Å; S192-G219 WeakPolarHBondContact O-CA 3.47Å; G219-K246 WeakPolarHBondContact O-CG 3.24Å
220S92.7Very high90.5Very high12 Ų1258.8 Ų58.88%0.08433%0.326CS..EExtended strand (participates in β ladder)trans-150.4159.2-173.6670000111.4S192 T193 V194 K246S192-S220 PolarHBondContact O-N 2.86Å; S192-S220 VanDerWaalsContact O-N 3.17Å; T193-S220 CarbonylContact C-O 3.57Å; T193-S220 WeakPolarHBondContact CA-O 3.43Å; T193-S220 VanDerWaalsContact CG2-OG 3.25Å; T193-S220 WeakPolarHBondContact CG2-OG 3.3Å; T193-S220 PolarHBondContact OG1-OG 2.96Å; T193-S220 VanDerWaalsContact OG1-OG 3.09Å; V194-S220 PolarHBondContact N-O 3.47Å; S220-K246 CarbonylContact C-O 3.6Å; S220-K246 WeakPolarHBondContact CA-O 3.21Å
221V94.2Very high90.2Very high0 Ų057.4 Ų57.40%032%0.322CS..EExtended strand (participates in β ladder)trans-125.3111.5176.8-176.10000108V194 L196 T205 V208 L209 I212 Q223 K246 V247 H248V194-V221 WeakPolarHBondContact O-CA 3.37Å; L196-V221 HydrophobicContact CB-CG1 3.83Å; L196-V221 HydrophobicContact CD2-CG1 3.78Å; L196-V221 HydrophobicContact CG-CG1 4.46Å; T205-V221 HydrophobicContact CG2-CG1 4.5Å; V208-V221 HydrophobicContact CB-CG2 4.42Å; V208-V221 HydrophobicContact CG1-CG2 3.58Å; L209-V221 HydrophobicContact CD2-CG2 4.07Å; L209-V221 HydrophobicContact CG-CG2 4.49Å; I212-V221 HydrophobicContact CD1-CG2 3.81Å; V221-Q223 PolarHBondContact O-N 2.82Å; V221-K246 PolarHBondContact N-O 2.98Å; V221-V247 HydrophobicContact CB-CG2 4.42Å; V221-V247 WeakPolarHBondContact O-CA 3.28Å; V221-H248 PolarHBondContact O-N 3.11Å
222I94Very high89.9Confident4 Ų458.2 Ų58.22%0.02133%0.328CS..EExtended strand (participates in β ladder)trans-86.4103170.7-63.2166.4000106.7T193 V194 L195 L196 F224 H248 V250 I324T193-I222 HydrophobicContact CG2-CD1 4.4Å; V194-I222 PolarHBondContact O-N 3.19Å; L195-I222 HydrophobicContact CD2-CB 3.93Å; L195-I222 HydrophobicContact CD2-CD1 3.71Å; L195-I222 HydrophobicContact CD2-CG1 4.38Å; L195-I222 HydrophobicContact CD2-CG2 4.24Å; L196-I222 PolarHBondContact N-O 2.91Å; I222-F224 HydrophobicContact CG2-CD2 4.4Å; I222-F224 HydrophobicContact CG2-CE1 4.35Å; I222-F224 HydrophobicContact CG2-CE2 3.74Å; I222-F224 HydrophobicContact CG2-CZ 3.72Å; I222-H248 CarbonylContact C-O 3.37Å; I222-H248 WeakPolarHBondContact CA-O 3.47Å; I222-H248 HydrophobicContact CG1-CB 4.33Å; I222-V250 HydrophobicContact CG2-CG2 3.95Å; I222-I324 HydrophobicContact CD1-CB 4.34Å; I222-I324 HydrophobicContact CD1-CG1 4.26Å; I222-I324 HydrophobicContact CD1-CG2 4.13Å; I222-I324 HydrophobicContact CG2-CG1 4.03Å
223Q94.4Very high89.5Confident0 Ų058.6 Ų58.60%033%0.331CS..EExtended strand (participates in β ladder)trans-96.9101.1-171.6-167.8-176.518.300110.6L196 T205 V221 F230 P231 Y243 V247 H248 P249 V250L196-Q223 CarbonylContact O-C 3.57Å; L196-Q223 VanDerWaalsContact O-CA 3.31Å; L196-Q223 WeakPolarHBondContact O-CA 3.33Å; T205-Q223 PolarHBondContact OG1-NE2 2.89Å; V221-Q223 PolarHBondContact O-N 2.82Å; Q223-F230 VanDerWaalsContact OE1-CD2 3.29Å; Q223-P231 PolarHBondContact NE2-O 3.43Å; Q223-Y243 PolarHBondContact OE1-OH 2.85Å; Q223-V247 HydrophobicContact CB-CG1 4.02Å; Q223-H248 PolarHBondContact N-O 2.67Å; Q223-P249 WeakPolarHBondContact O-CA 3.34Å; Q223-V250 PolarHBondContact O-N 2.89Å
224F94.9Very high89.4Confident0 Ų060.6 Ų60.60%034%0.335CS..EExtended strand (participates in β ladder)trans-75.4124.2172.5-61.1-82.5000110.6L195 L196 C197 I222 V250 L252 V255 I324 L350L195-F224 HydrophobicContact CB-CE2 4.05Å; L195-F224 HydrophobicContact CD2-CE2 4.07Å; L195-F224 HydrophobicContact CD2-CZ 4.44Å; L196-F224 PolarHBondContact O-N 3Å; C197-F224 HydrophobicContact CB-CB 4.12Å; C197-F224 PolarHBondContact SG-O 3.32Å; I222-F224 HydrophobicContact CG2-CD2 4.4Å; I222-F224 HydrophobicContact CG2-CE1 4.35Å; I222-F224 HydrophobicContact CG2-CE2 3.74Å; I222-F224 HydrophobicContact CG2-CZ 3.72Å; F224-V250 CarbonylContact C-O 3.48Å; F224-V250 VanDerWaalsContact CA-O 3.24Å; F224-V250 WeakPolarHBondContact CA-O 3.2Å; F224-V250 HydrophobicContact CD1-CB 3.93Å; F224-V250 HydrophobicContact CD1-CG1 4.01Å; F224-V250 HydrophobicContact CE1-CB 4.06Å; F224-V250 HydrophobicContact CE1-CG1 3.96Å; F224-L252 HydrophobicContact CB-CD2 3.78Å; F224-L252 HydrophobicContact CB-CG 4.26Å; F224-L252 HydrophobicContact CG-CD2 4.49Å; F224-V255 HydrophobicContact CD1-CG2 3.65Å; F224-V255 HydrophobicContact CE1-CG2 3.86Å; F224-I324 HydrophobicContact CE1-CD1 4.09Å; F224-I324 HydrophobicContact CZ-CD1 4.13Å; F224-L350 HydrophobicContact CB-CD1 4.39Å; F224-L350 HydrophobicContact CD1-CD2 3.71Å; F224-L350 HydrophobicContact CD2-CD1 4.01Å; F224-L350 HydrophobicContact CD2-CD2 3.8Å; F224-L350 HydrophobicContact CE1-CD2 3.71Å; F224-L350 HydrophobicContact CE2-CD2 3.81Å; F224-L350 HydrophobicContact CG-CD1 4.21Å; F224-L350 HydrophobicContact CG-CD2 3.74Å; F224-L350 HydrophobicContact CZ-CD2 3.75Å
225Y94.7Very high89.8Confident27 Ų2758 Ų5811%0.10632%0.322CS..EExtended strand (participates in β ladder)trans-134.5152.7-176.273.6-80000113.3S229 F230 P249 V250 R251 L252Y225-S229 WeakPolarHBondContact CD2-O 3.48Å; Y225-S229 VanDerWaalsContact CE2-C 3.48Å; Y225-F230 HydrophobicContact CD1-CB 3.54Å; Y225-F230 VanDerWaalsContact CD2-CA 3.48Å; Y225-F230 HydrophobicContact CD2-CB 3.78Å; Y225-F230 HydrophobicContact CE1-CB 3.86Å; Y225-F230 HydrophobicContact CE2-CB 4.05Å; Y225-F230 HydrophobicContact CG-CB 3.48Å; Y225-F230 VanDerWaalsContact CG-CB 3.48Å; Y225-P249 HydrophobicContact CD1-CB 4.09Å; Y225-P249 HydrophobicContact CE1-CB 3.75Å; Y225-V250 WeakPolarHBondContact CD1-O 3Å; Y225-V250 PolarHBondContact N-O 3.19Å; Y225-R251 HydrophobicContact CD1-CG 4.47Å; Y225-R251 HydrophobicContact CE1-CB 4.34Å; Y225-R251 HydrophobicContact CE1-CG 3.63Å; Y225-R251 HydrophobicContact CE2-CG 3.72Å; Y225-R251 CarbonylContact O-C 3.41Å; Y225-R251 WeakPolarHBondContact O-CA 3.21Å; Y225-R251 WeakPolarHBondContact OH-CG 3.36Å; Y225-L252 PolarHBondContact O-N 3.09Å
226H92.6Very high90.1Very high118 Ų11851.3 Ų51.355%0.54629%0.287SS..  trans-103.2143170.6171.6-78.3000109.9L252 F341H226-L252 HydrophobicContact CB-CD1 4.09Å; H226-F341 HydrophobicContact CB-CE2 3.78Å; H226-F341 HydrophobicContact CB-CZ 3.84Å; H226-F341 AromaticContact CG-CZ 3.85Å
227G89.7Confident90.4Very high38 Ų3849.6 Ų49.639%0.39228%0.284SS..SBendtrans103.4-166.4173.200000113.5
228S87.1Confident90.7Very high122 Ų12245.9 Ų45.985%0.85326%0.259SS*.SBendtrans-81-20.7-175.253.10000114
229S89.1Confident90.6Very high85 Ų8538.5 Ų38.559%0.59423%0.227SC*.SBendtrans-141.7145.8178.761.60000111.1Y225Y225-S229 WeakPolarHBondContact CD2-O 3.48Å; Y225-S229 VanDerWaalsContact CE2-C 3.48Å
230F86.6Confident90.3Very high48 Ų4839.4 Ų39.421%0.21124%0.236CC..  trans-79143.8177.166-81.6000110.5Q223 Y225 K232 Y243 V247 P249Q223-F230 VanDerWaalsContact OE1-CD2 3.29Å; Y225-F230 HydrophobicContact CD1-CB 3.54Å; Y225-F230 VanDerWaalsContact CD2-CA 3.48Å; Y225-F230 HydrophobicContact CD2-CB 3.78Å; Y225-F230 HydrophobicContact CE1-CB 3.86Å; Y225-F230 HydrophobicContact CE2-CB 4.05Å; Y225-F230 HydrophobicContact CG-CB 3.48Å; Y225-F230 VanDerWaalsContact CG-CB 3.48Å; F230-K232 HydrophobicContact CD2-CG 4.46Å; F230-K232 HydrophobicContact CE2-CG 4.36Å; F230-K232 PolarHBondContact O-N 2.87Å; F230-Y243 HydrophobicContact CD2-CE1 4.45Å; F230-Y243 AromaticContact CE2-CE1 3.58Å; F230-Y243 HydrophobicContact CE2-CE1 3.58Å; F230-Y243 HydrophobicContact CZ-CE1 4.33Å; F230-V247 HydrophobicContact CE2-CG1 4.44Å; F230-P249 HydrophobicContact CB-CB 3.96Å; F230-P249 HydrophobicContact CD1-CB 3.77Å; F230-P249 HydrophobicContact CD1-CG 4.01Å; F230-P249 HydrophobicContact CD2-CB 3.97Å; F230-P249 HydrophobicContact CE1-CB 4.13Å; F230-P249 HydrophobicContact CE1-CG 3.88Å; F230-P249 HydrophobicContact CE2-CB 4.19Å; F230-P249 HydrophobicContact CE2-CG 4.27Å; F230-P249 HydrophobicContact CG-CB 3.68Å; F230-P249 HydrophobicContact CG-CG 4.34Å; F230-P249 HydrophobicContact CZ-CB 4.31Å; F230-P249 HydrophobicContact CZ-CG 3.98Å
231P86.7Confident89.7Confident32 Ų3245 Ų4521%0.20827%0.265CS..  trans-70.9127.6-169.526.7-31.4000111.1E198 Q223 Y243E198-P231 HydrophobicContact CG-CG 4.36Å; Q223-P231 PolarHBondContact NE2-O 3.43Å; P231-Y243 PolarHBondContact O-OH 2.9Å; P231-Y243 VanDerWaalsContact O-OH 3.13Å
232K87.8Confident89.2Confident122 Ų12245.2 Ų45.253%0.5327%0.267SS..  trans-118.9138.1171.4-65.6-176.9-179-176.30109.1S201 F230 Y243S201-K232 CarbonylContact O-C 3.46Å; S201-K232 VanDerWaalsContact O-C 3.22Å; F230-K232 HydrophobicContact CD2-CG 4.46Å; F230-K232 HydrophobicContact CE2-CG 4.36Å; F230-K232 PolarHBondContact O-N 2.87Å; K232-Y243 HydrophobicContact CD-CE1 4.17Å; K232-Y243 HydrophobicContact CG-CE1 3.97Å
233S86.2Confident88.8Confident7 Ų745.6 Ų45.65%0.04927%0.268CS..  trans-82.7158.9177.5-173.90000110.6S201 L203 I235 S236S201-S233 WeakPolarHBondContact O-CA 3.49Å; S201-S233 VanDerWaalsContact O-CB 3.24Å; S201-S233 WeakPolarHBondContact O-CB 3.34Å; S201-S233 PolarHBondContact O-N 3.22Å; L203-S233 VanDerWaalsContact CD2-OG 3.25Å; L203-S233 WeakPolarHBondContact CD2-OG 3.11Å; S233-I235 PolarHBondContact O-N 3.17Å; S233-S236 PolarHBondContact N-OG 3.02Å; S233-S236 WeakPolarHBondContact O-CB 3.37Å; S233-S236 PolarHBondContact O-N 2.88Å; S233-S236 PolarHBondContact O-OG 3.17Å
234E89.3Confident88.4Confident62 Ų6250 Ų5029%0.2930%0.298SS..THydrogen-bonded Turntrans-60.1-25.7171.674.7-169152.100111.9Y17 F19 Y163 R167 P237Y17-E234 WeakPolarHBondContact CE2-OE1 3.31Å; Y17-E234 PolarHBondContact OH-OE1 3.17Å; Y17-E234 PolarHBondContact OH-OE2 3.17Å; F19-E234 HydrophobicContact CB-CG 4.43Å; F19-E234 WeakPolarHBondContact CD1-O 3.46Å; F19-E234 WeakPolarHBondContact CE1-O 3.45Å; Y163-E234 WeakPolarHBondContact CE2-OE1 3.35Å; Y163-E234 WeakPolarHBondContact OH-CG 3.19Å; Y163-E234 PolarHBondContact OH-OE1 2.82Å; R167-E234 IonicContact NH1-OE2 2.58Å; E234-P237 WeakPolarHBondContact O-CD 3.32Å
235I91.6Very high88.1Confident0 Ų056.5 Ų56.50%033%0.329CS..THydrogen-bonded Turntrans-85.9-5.417671.9178.1000113.5F19 V156 C159 L203 A206 S233 P237 V238 Y239F19-I235 HydrophobicContact CD2-CG2 4.08Å; F19-I235 HydrophobicContact CE2-CB 4.38Å; F19-I235 HydrophobicContact CE2-CG2 4.13Å; V156-I235 HydrophobicContact CG2-CD1 4.21Å; C159-I235 HydrophobicContact CB-CD1 4.2Å; L203-I235 HydrophobicContact CD2-CD1 4.05Å; A206-I235 HydrophobicContact CB-CD1 4.1Å; A206-I235 HydrophobicContact CB-CG1 4.42Å; S233-I235 PolarHBondContact O-N 3.17Å; I235-P237 VanDerWaalsContact O-N 3.13Å; I235-V238 HydrophobicContact CB-CG2 4.31Å; I235-V238 WeakPolarHBondContact O-CB 3.37Å; I235-V238 VanDerWaalsContact O-CG2 3.22Å; I235-V238 WeakPolarHBondContact O-CG2 3.43Å; I235-V238 PolarHBondContact O-N 2.94Å; I235-Y239 HydrophobicContact CD1-CE2 3.94Å; I235-Y239 HydrophobicContact CG1-CE2 4.01Å; I235-Y239 WeakPolarHBondContact O-CD2 3.28Å
236S90.7Very high87.8Confident11 Ų1155.6 Ų55.68%0.07733%0.325CS..G310 helixtrans-51.3-33.9178.7-710000114.2S233 V238 Y239 G240S233-S236 PolarHBondContact N-OG 3.02Å; S233-S236 WeakPolarHBondContact O-CB 3.37Å; S233-S236 PolarHBondContact O-N 2.88Å; S233-S236 PolarHBondContact O-OG 3.17Å; S236-V238 PolarHBondContact O-N 3.1Å; S236-Y239 CarbonylContact O-C 2.84Å; S236-Y239 WeakPolarHBondContact O-CA 3.49Å; S236-Y239 PolarHBondContact O-N 3.47Å; S236-G240 PolarHBondContact O-N 3.34Å
237P91.5Very high87.8Confident60 Ų6050.4 Ų50.439%0.3930%0.302SS..G310 helixtrans-58.6-26.8174-26.636.8000114.8Y8 F19 E234 I235 Y239 G240Y8-P237 HydrophobicContact CD2-CB 4.25Å; Y8-P237 HydrophobicContact CE1-CB 3.99Å; Y8-P237 HydrophobicContact CE2-CB 3.66Å; F19-P237 HydrophobicContact CE1-CG 4.49Å; E234-P237 WeakPolarHBondContact O-CD 3.32Å; I235-P237 VanDerWaalsContact O-N 3.13Å; P237-Y239 PolarHBondContact O-N 3.44Å; P237-G240 PolarHBondContact O-N 3.3Å
238V90.8Very high87.8Confident44 Ų4450.2 Ų50.227%0.26729%0.291SS..G310 helixtrans-62.3-32.1174.1-176.90000110.8Y8 F19 P154 I235 S236Y8-V238 HydrophobicContact CG-CG2 4.38Å; F19-V238 HydrophobicContact CE2-CG2 3.65Å; F19-V238 HydrophobicContact CZ-CG2 3.74Å; P154-V238 HydrophobicContact CB-CG2 3.8Å; P154-V238 HydrophobicContact CG-CG2 3.9Å; I235-V238 HydrophobicContact CB-CG2 4.31Å; I235-V238 WeakPolarHBondContact O-CB 3.37Å; I235-V238 VanDerWaalsContact O-CG2 3.22Å; I235-V238 WeakPolarHBondContact O-CG2 3.43Å; I235-V238 PolarHBondContact O-N 2.94Å; S236-V238 PolarHBondContact O-N 3.1Å
239Y87.4Confident88Confident4 Ų446.1 Ų46.12%0.01626%0.262CS..G310 helixtrans-104.514.9-178.3-52.2-84.4000111.7V156 A206 E210 I214 I235 S236 P237 N241 S242 Y243V156-Y239 WeakPolarHBondContact CG2-OH 3.45Å; A206-Y239 HydrophobicContact CB-CD2 4.26Å; A206-Y239 HydrophobicContact CB-CE2 3.97Å; E210-Y239 HydrophobicContact CB-CE1 4.31Å; E210-Y239 PolarHBondContact OE2-OH 2.85Å; I214-Y239 HydrophobicContact CD1-CD1 3.53Å; I214-Y239 HydrophobicContact CD1-CE1 3.58Å; I214-Y239 HydrophobicContact CG1-CD1 3.92Å; I214-Y239 HydrophobicContact CG1-CE1 4.24Å; I235-Y239 HydrophobicContact CD1-CE2 3.94Å; I235-Y239 HydrophobicContact CG1-CE2 4.01Å; I235-Y239 WeakPolarHBondContact O-CD2 3.28Å; S236-Y239 CarbonylContact O-C 2.84Å; S236-Y239 WeakPolarHBondContact O-CA 3.49Å; S236-Y239 PolarHBondContact O-N 3.47Å; P237-Y239 PolarHBondContact O-N 3.44Å; Y239-N241 PolarHBondContact O-N 3.46Å; Y239-N241 VanDerWaalsContact O-N 3.17Å; Y239-S242 PolarHBondContact O-N 3.35Å; Y239-S242 VanDerWaalsContact O-N 3.11Å; Y239-Y243 VanDerWaalsContact O-CB 3.31Å; Y239-Y243 WeakPolarHBondContact O-CB 3.31Å; Y239-Y243 PolarHBondContact O-N 3.36Å
240G83.2Confident88.1Confident32 Ų3242.1 Ų42.133%0.3323%0.233SC..Hα-helixtrans-46.9-52.2-163.600000114.7S236 P237 Y243 S244S236-G240 PolarHBondContact O-N 3.34Å; P237-G240 PolarHBondContact O-N 3.3Å; G240-Y243 WeakPolarHBondContact O-CB 3.41Å; G240-Y243 PolarHBondContact O-N 3Å; G240-S244 PolarHBondContact O-N 2.97Å; G240-S244 VanDerWaalsContact O-N 3.07Å; G240-S244 PolarHBondContact O-OG 2.97Å
241N80.8Confident88.3Confident128 Ų12844.1 Ų44.168%0.68424%0.239SC*.Hα-helixtrans-62.9-51.5-179.2-63.5-5.9000111.8Y239 Y243 S244 E245Y239-N241 PolarHBondContact O-N 3.46Å; Y239-N241 VanDerWaalsContact O-N 3.17Å; N241-Y243 PolarHBondContact O-N 2.96Å; N241-S244 PolarHBondContact O-N 3.49Å; N241-S244 PolarHBondContact O-OG 2.84Å; N241-E245 WeakPolarHBondContact O-CG 3.35Å; N241-E245 PolarHBondContact O-N 3.2Å; N241-E245 VanDerWaalsContact O-N 3.12Å
242S83.6Confident88.6Confident5 Ų544.4 Ų44.44%0.03524%0.239CC..Hα-helixtrans-63.3-32.7177.6-49.40000112.2I214 Y239 K246I214-S242 WeakPolarHBondContact CA-OG 3.18Å; I214-S242 WeakPolarHBondContact CG2-OG 3.37Å; I214-S242 PolarHBondContact O-OG 2.84Å; Y239-S242 PolarHBondContact O-N 3.35Å; Y239-S242 VanDerWaalsContact O-N 3.11Å; S242-K246 WeakPolarHBondContact O-CB 3.44Å; S242-K246 WeakPolarHBondContact O-CG 3.3Å; S242-K246 PolarHBondContact O-N 3.5Å
243Y86Confident88.6Confident13 Ų1345.2 Ų45.25%0.05125%0.248CC..Hα-helixtrans-66.9-45.7180-158.8-77.3000110.6T205 L209 Q223 F230 P231 K232 Y239 G240 N241 V247T205-Y243 HydrophobicContact CG2-CD2 4.42Å; T205-Y243 HydrophobicContact CG2-CE2 3.67Å; L209-Y243 HydrophobicContact CD1-CD2 3.64Å; L209-Y243 HydrophobicContact CD1-CE2 4.31Å; L209-Y243 HydrophobicContact CD1-CG 4.37Å; Q223-Y243 PolarHBondContact OE1-OH 2.85Å; F230-Y243 HydrophobicContact CD2-CE1 4.45Å; F230-Y243 AromaticContact CE2-CE1 3.58Å; F230-Y243 HydrophobicContact CE2-CE1 3.58Å; F230-Y243 HydrophobicContact CZ-CE1 4.33Å; P231-Y243 PolarHBondContact O-OH 2.9Å; P231-Y243 VanDerWaalsContact O-OH 3.13Å; K232-Y243 HydrophobicContact CD-CE1 4.17Å; K232-Y243 HydrophobicContact CG-CE1 3.97Å; Y239-Y243 VanDerWaalsContact O-CB 3.31Å; Y239-Y243 WeakPolarHBondContact O-CB 3.31Å; Y239-Y243 PolarHBondContact O-N 3.36Å; G240-Y243 WeakPolarHBondContact O-CB 3.41Å; G240-Y243 PolarHBondContact O-N 3Å; N241-Y243 PolarHBondContact O-N 2.96Å; Y243-V247 HydrophobicContact CD1-CB 4.25Å; Y243-V247 HydrophobicContact CD1-CG2 4.18Å; Y243-V247 HydrophobicContact CD2-CG2 4.02Å; Y243-V247 HydrophobicContact CE1-CB 4.17Å; Y243-V247 HydrophobicContact CE1-CG1 4.2Å; Y243-V247 HydrophobicContact CE1-CG2 4.28Å; Y243-V247 HydrophobicContact CE2-CG2 4.11Å; Y243-V247 HydrophobicContact CG-CG2 4.03Å; Y243-V247 VanDerWaalsContact O-CB 3.25Å; Y243-V247 WeakPolarHBondContact O-CB 3.14Å; Y243-V247 WeakPolarHBondContact O-CG2 3.22Å; Y243-V247 PolarHBondContact O-N 3.26Å
244S86.4Confident88.7Confident91 Ų9145.4 Ų45.464%0.63625%0.249SC*.Hα-helixtrans-66.9-34.6176.844.20000113.5G240 N241G240-S244 PolarHBondContact O-N 2.97Å; G240-S244 VanDerWaalsContact O-N 3.07Å; G240-S244 PolarHBondContact O-OG 2.97Å; N241-S244 PolarHBondContact O-N 3.49Å; N241-S244 PolarHBondContact O-OG 2.84Å
245E87.3Confident88.7Confident137 Ų13742.6 Ų42.664%0.6424%0.236SC*.Hα-helixtrans-85.3-36.9-175-69.3173.2-175.600113N241N241-E245 WeakPolarHBondContact O-CG 3.35Å; N241-E245 PolarHBondContact O-N 3.2Å; N241-E245 VanDerWaalsContact O-N 3.12Å
246K90.1Very high88.5Confident8 Ų845.6 Ų45.64%0.03525%0.252CS..Hα-helixtrans-107.1-18.3-168.4-58.6178.6174.5162.10114.4L209 G213 I214 Q216 G219 S220 V221 S242L209-K246 HydrophobicContact CD2-CB 4.01Å; L209-K246 HydrophobicContact CD2-CD 4.36Å; G213-K246 PolarHBondContact O-NZ 3.24Å; I214-K246 PolarHBondContact O-NZ 3.31Å; Q216-K246 WeakPolarHBondContact O-CE 3.32Å; Q216-K246 PolarHBondContact O-NZ 2.96Å; G219-K246 WeakPolarHBondContact O-CG 3.24Å; S220-K246 CarbonylContact C-O 3.6Å; S220-K246 WeakPolarHBondContact CA-O 3.21Å; V221-K246 PolarHBondContact N-O 2.98Å; S242-K246 WeakPolarHBondContact O-CB 3.44Å; S242-K246 WeakPolarHBondContact O-CG 3.3Å; S242-K246 PolarHBondContact O-N 3.5Å
247V91.2Very high88.3Confident10 Ų1046.3 Ų46.36%0.06126%0.256CS..EExtended strand (participates in β ladder)trans-95125.1-178.2-174.10000110.2T205 L209 V221 Q223 F230 Y243T205-V247 HydrophobicContact CG2-CG1 4.33Å; T205-V247 HydrophobicContact CG2-CG2 3.84Å; L209-V247 HydrophobicContact CD1-CG2 3.88Å; L209-V247 HydrophobicContact CD2-CG2 4.07Å; L209-V247 HydrophobicContact CG-CG2 4.35Å; V221-V247 HydrophobicContact CB-CG2 4.42Å; V221-V247 WeakPolarHBondContact O-CA 3.28Å; Q223-V247 HydrophobicContact CB-CG1 4.02Å; F230-V247 HydrophobicContact CE2-CG1 4.44Å; Y243-V247 HydrophobicContact CD1-CB 4.25Å; Y243-V247 HydrophobicContact CD1-CG2 4.18Å; Y243-V247 HydrophobicContact CD2-CG2 4.02Å; Y243-V247 HydrophobicContact CE1-CB 4.17Å; Y243-V247 HydrophobicContact CE1-CG1 4.2Å; Y243-V247 HydrophobicContact CE1-CG2 4.28Å; Y243-V247 HydrophobicContact CE2-CG2 4.11Å; Y243-V247 HydrophobicContact CG-CG2 4.03Å; Y243-V247 VanDerWaalsContact O-CB 3.25Å; Y243-V247 WeakPolarHBondContact O-CB 3.14Å; Y243-V247 WeakPolarHBondContact O-CG2 3.22Å; Y243-V247 PolarHBondContact O-N 3.26Å
248H90.3Very high88.1Confident34 Ų3443.4 Ų43.416%0.15724%0.238CC..EExtended strand (participates in β ladder)trans-121.992.8-171.8-72.2-30.3000109.1V221 I222 Q223 Q323 R329V221-H248 PolarHBondContact O-N 3.11Å; I222-H248 CarbonylContact C-O 3.37Å; I222-H248 WeakPolarHBondContact CA-O 3.47Å; I222-H248 HydrophobicContact CG1-CB 4.33Å; Q223-H248 PolarHBondContact N-O 2.67Å; H248-Q323 VanDerWaalsContact CA-NE2 3.34Å; H248-Q323 HydrophobicContact CB-CG 4.03Å; H248-Q323 PolarHBondContact ND1-NE2 3.47Å; H248-R329 PolarHBondContact CD2-NH1 2.83Å; H248-R329 PolarHBondContact NE2-NH1 2.99Å
249P91.4Very high88Confident36 Ų3641.3 Ų41.323%0.23423%0.225CC..EExtended strand (participates in β ladder)trans-78.2131.1-173.331.3-34.9000111.6Q223 Y225 F230Q223-P249 WeakPolarHBondContact O-CA 3.34Å; Y225-P249 HydrophobicContact CD1-CB 4.09Å; Y225-P249 HydrophobicContact CE1-CB 3.75Å; F230-P249 HydrophobicContact CB-CB 3.96Å; F230-P249 HydrophobicContact CD1-CB 3.77Å; F230-P249 HydrophobicContact CD1-CG 4.01Å; F230-P249 HydrophobicContact CD2-CB 3.97Å; F230-P249 HydrophobicContact CE1-CB 4.13Å; F230-P249 HydrophobicContact CE1-CG 3.88Å; F230-P249 HydrophobicContact CE2-CB 4.19Å; F230-P249 HydrophobicContact CE2-CG 4.27Å; F230-P249 HydrophobicContact CG-CB 3.68Å; F230-P249 HydrophobicContact CG-CG 4.34Å; F230-P249 HydrophobicContact CZ-CB 4.31Å; F230-P249 HydrophobicContact CZ-CG 3.98Å
250V90.8Very high87.9Confident0 Ų041.9 Ų41.90%023%0.228CC..EExtended strand (participates in β ladder)trans-126.5127.6175.8-179.10000108.6I222 Q223 F224 Y225 I258 I324I222-V250 HydrophobicContact CG2-CG2 3.95Å; Q223-V250 PolarHBondContact O-N 2.89Å; F224-V250 CarbonylContact C-O 3.48Å; F224-V250 VanDerWaalsContact CA-O 3.24Å; F224-V250 WeakPolarHBondContact CA-O 3.2Å; F224-V250 HydrophobicContact CD1-CB 3.93Å; F224-V250 HydrophobicContact CD1-CG1 4.01Å; F224-V250 HydrophobicContact CE1-CB 4.06Å; F224-V250 HydrophobicContact CE1-CG1 3.96Å; Y225-V250 WeakPolarHBondContact CD1-O 3Å; Y225-V250 PolarHBondContact N-O 3.19Å; V250-I258 HydrophobicContact CG1-CD1 3.88Å; V250-I324 HydrophobicContact CG1-CD1 4.42Å; V250-I324 HydrophobicContact CG2-CD1 4.26Å; V250-I324 HydrophobicContact CG2-CG1 4.39Å
251R91.5Very high87.9Confident90 Ų9041.8 Ų41.834%0.3422%0.218SC..EExtended strand (participates in β ladder)trans-74.2139.8178.5-60.8174.5-62.6177.48109.4Y225 L253 D254Y225-R251 HydrophobicContact CD1-CG 4.47Å; Y225-R251 HydrophobicContact CE1-CB 4.34Å; Y225-R251 HydrophobicContact CE1-CG 3.63Å; Y225-R251 HydrophobicContact CE2-CG 3.72Å; Y225-R251 CarbonylContact O-C 3.41Å; Y225-R251 WeakPolarHBondContact O-CA 3.21Å; Y225-R251 WeakPolarHBondContact OH-CG 3.36Å; R251-L253 PolarHBondContact O-N 3.44Å; R251-D254 VanDerWaalsContact CB-OD2 3.31Å; R251-D254 WeakPolarHBondContact CB-OD2 3.38Å; R251-D254 IonicContact CZ-OD1 3.62Å; R251-D254 IonicContact CZ-OD2 2.72Å; R251-D254 IonicContact NE-OD2 2.77Å; R251-D254 PolarHBondContact NE-OD2 2.97Å; R251-D254 IonicContact NH2-OD1 2.94Å; R251-D254 PolarHBondContact NH2-OD1 3.4Å; R251-D254 IonicContact NH2-OD2 3.47Å; R251-D254 PolarHBondContact NH2-OD2 3.4Å; R251-D254 PolarHBondContact O-N 2.89Å
252L91.9Very high88.1Confident38 Ų3837.3 Ų37.320%0.19919%0.192CC..Hα-helixtrans-59.6-31.3176.8-78.5172000112.9F224 Y225 H226 D254 V255 L346F224-L252 HydrophobicContact CB-CD2 3.78Å; F224-L252 HydrophobicContact CB-CG 4.26Å; F224-L252 HydrophobicContact CG-CD2 4.49Å; Y225-L252 PolarHBondContact O-N 3.09Å; H226-L252 HydrophobicContact CB-CD1 4.09Å; L252-D254 PolarHBondContact O-N 3.49Å; L252-V255 HydrophobicContact CD2-CG2 4.23Å; L252-V255 WeakPolarHBondContact O-CB 3.36Å; L252-V255 PolarHBondContact O-N 3.28Å; L252-L346 HydrophobicContact CD1-CD1 4.11Å; L252-L346 HydrophobicContact CD2-CD1 3.4Å; L252-L346 VanDerWaalsContact CD2-CD1 3.4Å; L252-L346 HydrophobicContact CG-CD1 4.43Å
253L89.1Confident88.2Confident139 Ų13937.1 Ų37.173%0.72819%0.191SC*.Hα-helixtrans-62.4-27.3176-70.6172.7000112.9R251 P257R251-L253 PolarHBondContact O-N 3.44Å; L253-P257 WeakPolarHBondContact O-CD 3.32Å
254D87.8Confident88Confident11 Ų1136.7 Ų36.76%0.05919%0.19CC..Hα-helixtrans-90.4-8.7-177.4-55.6-46.6000112.1R251 L252 L256 P257 I258 Y316 Y317R251-D254 VanDerWaalsContact CB-OD2 3.31Å; R251-D254 WeakPolarHBondContact CB-OD2 3.38Å; R251-D254 IonicContact CZ-OD1 3.62Å; R251-D254 IonicContact CZ-OD2 2.72Å; R251-D254 IonicContact NE-OD2 2.77Å; R251-D254 PolarHBondContact NE-OD2 2.97Å; R251-D254 IonicContact NH2-OD1 2.94Å; R251-D254 PolarHBondContact NH2-OD1 3.4Å; R251-D254 IonicContact NH2-OD2 3.47Å; R251-D254 PolarHBondContact NH2-OD2 3.4Å; R251-D254 PolarHBondContact O-N 2.89Å; L252-D254 PolarHBondContact O-N 3.49Å; D254-L256 PolarHBondContact O-N 2.79Å; D254-P257 WeakPolarHBondContact O-CD 3.41Å; D254-I258 HydrophobicContact CB-CD1 4.21Å; D254-I258 WeakPolarHBondContact O-CB 3.49Å; D254-I258 VanDerWaalsContact O-CD1 3.3Å; D254-I258 WeakPolarHBondContact O-CD1 3.49Å; D254-I258 WeakPolarHBondContact O-CG1 3.29Å; D254-I258 PolarHBondContact O-N 3.29Å; D254-Y316 HydrophobicContact CB-CE1 3.71Å; D254-Y316 WeakPolarHBondContact OD2-CE1 3.43Å; D254-Y316 PolarHBondContact OD2-OH 3.31Å; D254-Y317 HydrophobicContact CB-CE1 4.37Å
255V89.8Confident87.6Confident3 Ų334.7 Ų34.72%0.01817%0.172CC..Hα-helixtrans-64.7-42.2-176.8178.10000112F224 L252 I258 L259 T349 L350 F353F224-V255 HydrophobicContact CD1-CG2 3.65Å; F224-V255 HydrophobicContact CE1-CG2 3.86Å; L252-V255 HydrophobicContact CD2-CG2 4.23Å; L252-V255 WeakPolarHBondContact O-CB 3.36Å; L252-V255 PolarHBondContact O-N 3.28Å; V255-I258 PolarHBondContact O-N 2.87Å; V255-L259 WeakPolarHBondContact O-CG 3.31Å; V255-L259 PolarHBondContact O-N 3.13Å; V255-T349 HydrophobicContact CB-CG2 4.42Å; V255-T349 HydrophobicContact CG1-CG2 3.34Å; V255-L350 HydrophobicContact CG1-CD2 4.15Å; V255-L350 HydrophobicContact CG2-CD2 4.41Å; V255-F353 HydrophobicContact CG1-CE2 3.61Å; V255-F353 HydrophobicContact CG1-CZ 3.77Å
256L87.5Confident87.1Confident63 Ų6330.5 Ų30.533%0.3315%0.153SC..Hα-helixtrans-66.3-47.5178.5-179.966.3000111.8D254 I258 L259 L260 L432 I440D254-L256 PolarHBondContact O-N 2.79Å; L256-I258 VanDerWaalsContact C-N 3.31Å; L256-I258 PolarHBondContact O-N 2.73Å; L256-L259 PolarHBondContact O-N 3.17Å; L256-L259 VanDerWaalsContact O-N 3.17Å; L256-L260 HydrophobicContact CG-CD1 4.36Å; L256-L260 WeakPolarHBondContact O-CG 3.37Å; L256-L260 PolarHBondContact O-N 2.92Å; L256-L432 HydrophobicContact CD1-CD2 3.7Å; L256-I440 HydrophobicContact CD1-CD1 4Å
257P86.1Confident86.1Confident26 Ų2632.6 Ų32.617%0.16917%0.167CC..Hα-helixtrans-52-45.1168-29.133.8000113.8L253 D254 L259 L260 Y261 Y317L253-P257 WeakPolarHBondContact O-CD 3.32Å; D254-P257 WeakPolarHBondContact O-CD 3.41Å; P257-L259 VanDerWaalsContact C-N 3.32Å; P257-L259 PolarHBondContact O-N 2.65Å; P257-L260 PolarHBondContact O-N 2.96Å; P257-Y261 PolarHBondContact O-N 3.29Å; P257-Y317 HydrophobicContact CB-CD1 3.78Å; P257-Y317 HydrophobicContact CB-CE1 3.48Å; P257-Y317 VanDerWaalsContact CB-CE1 3.48Å; P257-Y317 HydrophobicContact CB-CE2 4.27Å; P257-Y317 HydrophobicContact CB-CG 4.34Å; P257-Y317 HydrophobicContact CG-CE1 3.9Å
258I87.5Confident84.5Confident0 Ų036.5 Ų36.50%019%0.188CC..Hα-helixtrans-62.1-39.1177.8-68.8163.1000111.3V250 D254 V255 L256 K262 F321 I324 F353V250-I258 HydrophobicContact CG1-CD1 3.88Å; D254-I258 HydrophobicContact CB-CD1 4.21Å; D254-I258 WeakPolarHBondContact O-CB 3.49Å; D254-I258 VanDerWaalsContact O-CD1 3.3Å; D254-I258 WeakPolarHBondContact O-CD1 3.49Å; D254-I258 WeakPolarHBondContact O-CG1 3.29Å; D254-I258 PolarHBondContact O-N 3.29Å; V255-I258 PolarHBondContact O-N 2.87Å; L256-I258 VanDerWaalsContact C-N 3.31Å; L256-I258 PolarHBondContact O-N 2.73Å; I258-K262 WeakPolarHBondContact O-CB 3.22Å; I258-K262 PolarHBondContact O-N 3.1Å; I258-F321 HydrophobicContact CG2-CB 4.28Å; I258-F321 HydrophobicContact CG2-CD2 3.9Å; I258-I324 HydrophobicContact CD1-CD1 4.44Å; I258-I324 HydrophobicContact CG2-CD1 4.36Å; I258-F353 HydrophobicContact CG2-CE1 3.79Å; I258-F353 HydrophobicContact CG2-CZ 4.14Å
259L87.6Confident82.8Confident0 Ų042.7 Ų42.70%022%0.216CC..Hα-helixtrans-68.9-39.1175.2-75-177.8000112.7V255 L256 P257 Y261 K262 A263 T349 Q352 F353 T428 F431V255-L259 WeakPolarHBondContact O-CG 3.31Å; V255-L259 PolarHBondContact O-N 3.13Å; L256-L259 PolarHBondContact O-N 3.17Å; L256-L259 VanDerWaalsContact O-N 3.17Å; P257-L259 VanDerWaalsContact C-N 3.32Å; P257-L259 PolarHBondContact O-N 2.65Å; L259-Y261 VanDerWaalsContact C-N 3.32Å; L259-K262 WeakPolarHBondContact O-CB 3.17Å; L259-K262 PolarHBondContact O-N 3.43Å; L259-A263 PolarHBondContact O-N 2.75Å; L259-T349 HydrophobicContact CD1-CG2 3.41Å; L259-T349 VanDerWaalsContact CD1-CG2 3.41Å; L259-T349 HydrophobicContact CG-CG2 4.49Å; L259-Q352 HydrophobicContact CD1-CG 4.37Å; L259-Q352 HydrophobicContact CD2-CB 3.65Å; L259-Q352 HydrophobicContact CD2-CG 4.27Å; L259-F353 HydrophobicContact CD1-CE2 4.37Å; L259-F353 HydrophobicContact CD2-CD2 4.33Å; L259-F353 HydrophobicContact CD2-CE1 3.98Å; L259-F353 HydrophobicContact CD2-CE2 3.57Å; L259-F353 HydrophobicContact CD2-CZ 3.35Å; L259-F353 HydrophobicContact CG-CE2 3.96Å; L259-F353 HydrophobicContact CG-CZ 3.68Å; L259-T428 HydrophobicContact CB-CG2 4.02Å; L259-T428 HydrophobicContact CD2-CG2 3.97Å; L259-T428 VanDerWaalsContact O-CG2 3.23Å; L259-T428 WeakPolarHBondContact O-CG2 3.39Å; L259-F431 HydrophobicContact CD1-CE1 4.27Å
260L86.2Confident80.8Confident15 Ų1547.1 Ų47.18%0.07924%0.238CC..Hα-helixtrans-63.6-41.4175.6-71165.8000110.9L256 P257 A263 T264 I283 K286 I287 I290 L432L256-L260 HydrophobicContact CG-CD1 4.36Å; L256-L260 WeakPolarHBondContact O-CG 3.37Å; L256-L260 PolarHBondContact O-N 2.92Å; P257-L260 PolarHBondContact O-N 2.96Å; L260-A263 WeakPolarHBondContact O-CB 3.32Å; L260-A263 PolarHBondContact O-N 2.8Å; L260-T264 PolarHBondContact O-N 3.23Å; L260-I283 HydrophobicContact CD2-CG2 4.24Å; L260-K286 HydrophobicContact CD1-CB 4.34Å; L260-K286 HydrophobicContact CD2-CB 4.24Å; L260-I287 HydrophobicContact CD2-CG1 3.77Å; L260-I290 HydrophobicContact CB-CD1 3.36Å; L260-I290 HydrophobicContact CD1-CD1 3.67Å; L260-I290 HydrophobicContact CG-CD1 4.13Å; L260-L432 HydrophobicContact CD2-CD1 3.74Å; L260-L432 HydrophobicContact CG-CD1 4.36Å
261Y83.5Confident78.6Confident31 Ų3155 Ų5512%0.12227%0.273CS..Hα-helixtrans-64.6-41.4171.8177.1-115000112.2P257 L259 A263 T264 L265 I290 I294 F321P257-Y261 PolarHBondContact O-N 3.29Å; L259-Y261 VanDerWaalsContact C-N 3.32Å; Y261-A263 PolarHBondContact O-N 3.37Å; Y261-T264 PolarHBondContact O-N 3.2Å; Y261-T264 VanDerWaalsContact O-N 3.1Å; Y261-T264 PolarHBondContact O-OG1 3.44Å; Y261-L265 HydrophobicContact CD1-CD1 4.29Å; Y261-L265 HydrophobicContact CE1-CD1 3.73Å; Y261-L265 HydrophobicContact CE1-CG 4.45Å; Y261-L265 HydrophobicContact CE2-CG 4.46Å; Y261-L265 PolarHBondContact O-N 3.23Å; Y261-I290 HydrophobicContact CD2-CG2 4.45Å; Y261-I294 HydrophobicContact CD2-CD1 3.33Å; Y261-I294 HydrophobicContact CE2-CD1 3.41Å; Y261-I294 VanDerWaalsContact CE2-CD1 3.41Å; Y261-I294 HydrophobicContact CG-CD1 4.33Å; Y261-F321 HydrophobicContact CD1-CB 3.75Å; Y261-F321 AromaticContact CD1-CD1 3.98Å; Y261-F321 HydrophobicContact CD1-CD1 3.98Å; Y261-F321 AromaticContact CD1-CD2 3.59Å; Y261-F321 HydrophobicContact CD1-CD2 3.59Å; Y261-F321 HydrophobicContact CD1-CE2 4.21Å; Y261-F321 AromaticContact CD1-CG 3.48Å; Y261-F321 HydrophobicContact CD1-CG 3.48Å; Y261-F321 VanDerWaalsContact CD1-CG 3.48Å; Y261-F321 HydrophobicContact CE1-CB 3.89Å; Y261-F321 AromaticContact CE1-CD1 3.54Å; Y261-F321 HydrophobicContact CE1-CD1 3.54Å; Y261-F321 HydrophobicContact CE1-CD2 4.04Å; Y261-F321 HydrophobicContact CE1-CE1 4.07Å; Y261-F321 AromaticContact CE1-CG 3.53Å; Y261-F321 HydrophobicContact CE1-CG 3.53Å
262K85.2Confident75.9Confident34 Ų3456.5 Ų56.515%0.14829%0.291CS..Hα-helixtrans-54.7-39.7172-170-178.2175-59.50111.7I258 L259 T264 L265 D266 F321 F325 T428I258-K262 WeakPolarHBondContact O-CB 3.22Å; I258-K262 PolarHBondContact O-N 3.1Å; L259-K262 WeakPolarHBondContact O-CB 3.17Å; L259-K262 PolarHBondContact O-N 3.43Å; K262-T264 VanDerWaalsContact C-N 3.32Å; K262-T264 PolarHBondContact O-N 3.34Å; K262-L265 PolarHBondContact O-N 3.29Å; K262-D266 VanDerWaalsContact NZ-CG 3.28Å; K262-D266 IonicContact NZ-OD1 2.89Å; K262-D266 PolarHBondContact NZ-OD1 2.98Å; K262-D266 IonicContact NZ-OD2 2.84Å; K262-D266 PolarHBondContact NZ-OD2 2.82Å; K262-D266 VanDerWaalsContact O-CG 3.27Å; K262-D266 PolarHBondContact O-N 2.8Å; K262-F321 HydrophobicContact CB-CD2 4.37Å; K262-F321 HydrophobicContact CB-CE2 3.61Å; K262-F321 HydrophobicContact CG-CE2 3.81Å; K262-F321 HydrophobicContact CG-CZ 4.35Å; K262-F325 HydrophobicContact CD-CE2 3.88Å; K262-F325 HydrophobicContact CD-CZ 3.75Å; K262-T428 HydrophobicContact CB-CG2 4.38Å; K262-T428 HydrophobicContact CD-CG2 4.48Å; K262-T428 WeakPolarHBondContact CD-OG1 3.35Å; K262-T428 PolarHBondContact NZ-OG1 2.83Å
263A84.8Confident73.1Confident1 Ų162.5 Ų62.51%0.00832%0.318CS..Hα-helixtrans-67-29.7-179.200000113L259 L260 Y261 T267 I287 T428L259-A263 PolarHBondContact O-N 2.75Å; L260-A263 WeakPolarHBondContact O-CB 3.32Å; L260-A263 PolarHBondContact O-N 2.8Å; Y261-A263 PolarHBondContact O-N 3.37Å; A263-T267 PolarHBondContact O-N 3.47Å; A263-T267 PolarHBondContact O-OG1 3.49Å; A263-T267 VanDerWaalsContact O-OG1 3.1Å; A263-I287 HydrophobicContact CB-CD1 3.73Å; A263-I287 HydrophobicContact CB-CG1 4.25Å; A263-T428 HydrophobicContact CB-CG2 4.19Å
264T81.5Confident70.5Confident4 Ų463.1 Ų63.13%0.02532%0.323CS..Hα-helixtrans-65.7-45.4173.167.50000110.5L260 Y261 K262 D266 T267 D268 I287 D291L260-T264 PolarHBondContact O-N 3.23Å; Y261-T264 PolarHBondContact O-N 3.2Å; Y261-T264 VanDerWaalsContact O-N 3.1Å; Y261-T264 PolarHBondContact O-OG1 3.44Å; K262-T264 VanDerWaalsContact C-N 3.32Å; K262-T264 PolarHBondContact O-N 3.34Å; T264-D266 PolarHBondContact O-N 2.95Å; T264-T267 WeakPolarHBondContact CA-OG1 3.46Å; T264-T267 PolarHBondContact O-N 3.43Å; T264-T267 VanDerWaalsContact O-N 3.13Å; T264-T267 PolarHBondContact O-OG1 3.38Å; T264-D268 PolarHBondContact O-N 3.21Å; T264-D268 VanDerWaalsContact O-N 3.12Å; T264-I287 HydrophobicContact CG2-CG2 3.47Å; T264-I287 VanDerWaalsContact CG2-CG2 3.47Å; T264-D291 HydrophobicContact CG2-CB 3.97Å
265L78.5Confident68.4Low49 Ų4970.8 Ų70.826%0.25736%0.358SS..Hα-helixtrans-64.9-38.4178.1-61173.7000112.6Y261 K262 T267 H269 F321Y261-L265 HydrophobicContact CD1-CD1 4.29Å; Y261-L265 HydrophobicContact CE1-CD1 3.73Å; Y261-L265 HydrophobicContact CE1-CG 4.45Å; Y261-L265 HydrophobicContact CE2-CG 4.46Å; Y261-L265 PolarHBondContact O-N 3.23Å; K262-L265 PolarHBondContact O-N 3.29Å; L265-T267 VanDerWaalsContact C-N 3.27Å; L265-T267 PolarHBondContact O-N 3.13Å; L265-H269 PolarHBondContact O-CD2 3.23Å; L265-F321 HydrophobicContact CD1-CD1 4.2Å; L265-F321 HydrophobicContact CD1-CE1 3.37Å; L265-F321 HydrophobicContact CD1-CE2 4.1Å; L265-F321 HydrophobicContact CD1-CZ 3.32Å
266D76.5Confident65.8Low48 Ų4876.7 Ų76.726%0.25739%0.393SS..Hα-helixtrans-65.5-30.9175.6-67.6-21.2000111.4K262 T264 N270 T428K262-D266 VanDerWaalsContact NZ-CG 3.28Å; K262-D266 IonicContact NZ-OD1 2.89Å; K262-D266 PolarHBondContact NZ-OD1 2.98Å; K262-D266 IonicContact NZ-OD2 2.84Å; K262-D266 PolarHBondContact NZ-OD2 2.82Å; K262-D266 VanDerWaalsContact O-CG 3.27Å; K262-D266 PolarHBondContact O-N 2.8Å; T264-D266 PolarHBondContact O-N 2.95Å; D266-N270 PolarHBondContact O-ND2 3Å; D266-T428 WeakPolarHBondContact OD2-CB 3.27Å; D266-T428 PolarHBondContact OD2-OG1 2.96Å
267T69Low63.7Low52 Ų5281 Ų8132%0.31942%0.417SS..Hα-helixtrans-76.4-37.9177.441.20000113.3A263 T264 L265 H269 N270 F271A263-T267 PolarHBondContact O-N 3.47Å; A263-T267 PolarHBondContact O-OG1 3.49Å; A263-T267 VanDerWaalsContact O-OG1 3.1Å; T264-T267 WeakPolarHBondContact CA-OG1 3.46Å; T264-T267 PolarHBondContact O-N 3.43Å; T264-T267 VanDerWaalsContact O-N 3.13Å; T264-T267 PolarHBondContact O-OG1 3.38Å; L265-T267 VanDerWaalsContact C-N 3.27Å; L265-T267 PolarHBondContact O-N 3.13Å; T267-H269 VanDerWaalsContact C-N 3.26Å; T267-H269 PolarHBondContact O-N 3.1Å; T267-N270 PolarHBondContact O-N 2.94Å; T267-N270 VanDerWaalsContact O-N 3.11Å; T267-F271 WeakPolarHBondContact O-CD2 3.19Å
268D58.9Low61.8Low92 Ų9287 Ų8749%0.49245%0.447SS..Hα-helixtrans-64-32.4179.8-73.5-18.6000112.8T264 N270T264-D268 PolarHBondContact O-N 3.21Å; T264-D268 VanDerWaalsContact O-N 3.12Å; D268-N270 VanDerWaalsContact C-N 3.32Å; D268-N270 PolarHBondContact O-N 3.25Å
269H53Low60.2Low165 Ų16591 Ų9176%0.76448%0.475SS*.THydrogen-bonded Turntrans-75.7-16176.8-76.2-51.4000114.5L265 T267L265-H269 PolarHBondContact O-CD2 3.23Å; T267-H269 VanDerWaalsContact C-N 3.26Å; T267-H269 PolarHBondContact O-N 3.1Å
270N50.8Low59Low128 Ų12896.7 Ų96.768%0.68451%0.506SS*.THydrogen-bonded Turntrans-105.412.3-176.2-73.9-47.3000114.1D266 T267 D268 V272D266-N270 PolarHBondContact O-ND2 3Å; T267-N270 PolarHBondContact O-N 2.94Å; T267-N270 VanDerWaalsContact O-N 3.11Å; D268-N270 VanDerWaalsContact C-N 3.32Å; D268-N270 PolarHBondContact O-N 3.25Å; N270-V272 PolarHBondContact O-N 2.99Å
271F43Very low58.4Low166 Ų16697.4 Ų97.473%0.72851%0.512SS*.  trans-6910-178.8-104.1-83.2000116.1T267T267-F271 WeakPolarHBondContact O-CD2 3.19Å
272V36.4Very low58.3Low121 Ų121103.2 Ų103.273%0.73354%0.54SS*.SBendtrans-99.6101.7171-171.30000108.5N270N270-V272 PolarHBondContact O-N 2.99Å
273E32.9Very low58.1Low164 Ų164102.5 Ų102.577%0.76654%0.538SS*.SBendtrans64.890.9166.4-60.3178.217100116
274N35Very low57.9Low153 Ų153103.2 Ų103.282%0.81854%0.543SS*.  -178.1128.5120.6-88.5-44.1000112.5
275H41.8Very low57.9Low171 Ų171105.4 Ų105.479%0.79256%0.558SS**  trans17.9124.6159.9-75.4-78.3000121.2D277H275-D277 PolarHBondContact O-N 3.48Å
276V35.4Very low58.1Low127 Ų127107.5 Ų107.577%0.7757%0.565SS**  trans-45.592.2163.4-176.60000111.7N278V276-N278 HydrophobicContact CG1-CB 4.41Å; V276-N278 PolarHBondContact O-N 3.35Å
277D43.6Very low58.2Low153 Ų153105.9 Ų105.982%0.81856%0.557SS**  trans-87.1102.9161.4-95.6-22.2000109.4H275 S279H275-D277 PolarHBondContact O-N 3.48Å; D277-S279 PolarHBondContact O-N 3.02Å; D277-S279 VanDerWaalsContact O-N 3.1Å
278N47.5Very low58.8Low152 Ų152110 Ų11081%0.81357%0.566SS**  trans-84.140.6-173.7-136.18.4000111.9V276V276-N278 HydrophobicContact CG1-CB 4.41Å; V276-N278 PolarHBondContact O-N 3.35Å
279S53.4Low59.8Low84 Ų84111.8 Ų111.859%0.58757%0.57SS**  trans-106.197.8174.260.10000109.7D277 S281D277-S279 PolarHBondContact O-N 3.02Å; D277-S279 VanDerWaalsContact O-N 3.1Å; S279-S281 VanDerWaalsContact C-N 3.25Å; S279-S281 PolarHBondContact O-N 3.36Å
280D61.9Low60.9Low120 Ų120105.4 Ų105.464%0.64254%0.541SS*.  trans-65.984.7171.6-85.4-30.4000109.7R288D280-R288 IonicContact OD1-CZ 3.73Å; D280-R288 IonicContact OD1-NH1 3.57Å; D280-R288 PolarHBondContact OD1-NH1 3.34Å; D280-R288 IonicContact OD1-NH2 3.59Å
281S74.7Confident62.2Low31 Ų31102.3 Ų102.322%0.21752%0.524CS..  trans-69.3147.4171.176.80000109.5S279 I283 S284 S285 E433S279-S281 VanDerWaalsContact C-N 3.25Å; S279-S281 PolarHBondContact O-N 3.36Å; S281-I283 PolarHBondContact O-N 3.4Å; S281-S284 PolarHBondContact O-N 2.85Å; S281-S284 WeakPolarHBondContact OG-CB 3.42Å; S281-S284 PolarHBondContact OG-N 3.14Å; S281-S284 PolarHBondContact OG-OG 3.01Å; S281-S285 PolarHBondContact O-N 2.83Å; S281-E433 WeakPolarHBondContact CB-OE1 3.33Å; S281-E433 PolarHBondContact OG-OE1 3.12Å
282Q81Confident63.9Low152 Ų152100.3 Ų100.371%0.7152%0.517SS*.Hα-helixtrans-54.3-27.3174.4-71-174.3-0.500111.9S285 K286Q282-S285 PolarHBondContact O-OG 2.61Å; Q282-K286 WeakPolarHBondContact O-CG 3.48Å; Q282-K286 PolarHBondContact O-N 2.93Å
283I80.6Confident65.7Low20 Ų2099.2 Ų99.210%0.10351%0.507CS..Hα-helixtrans-77.6-44.6179.9-58.5-178.6000110.2L260 S281 S285 K286 I287 L432 E433 I440L260-I283 HydrophobicContact CD2-CG2 4.24Å; S281-I283 PolarHBondContact O-N 3.4Å; I283-S285 PolarHBondContact O-N 3.33Å; I283-K286 WeakPolarHBondContact O-CB 3.41Å; I283-K286 PolarHBondContact O-N 3.19Å; I283-I287 HydrophobicContact CG2-CD1 3.96Å; I283-I287 HydrophobicContact CG2-CG1 4.41Å; I283-I287 WeakPolarHBondContact O-CG1 3.24Å; I283-I287 PolarHBondContact O-N 3.31Å; I283-L432 HydrophobicContact CD1-CB 3.89Å; I283-L432 WeakPolarHBondContact CD1-O 3.43Å; I283-L432 HydrophobicContact CG2-CB 3.79Å; I283-L432 HydrophobicContact CG2-CD1 4.18Å; I283-E433 HydrophobicContact CB-CG 4.25Å; I283-E433 HydrophobicContact CD1-CG 3.95Å; I283-E433 HydrophobicContact CG2-CG 4.43Å; I283-I440 HydrophobicContact CD1-CG2 4.28Å
284S81.4Confident67.5Low15 Ų1592 Ų9211%0.10547%0.474CS..Hα-helixtrans-56.9-39.4173.3-64.40000111.7S281 I287 R288S281-S284 PolarHBondContact O-N 2.85Å; S281-S284 WeakPolarHBondContact OG-CB 3.42Å; S281-S284 PolarHBondContact OG-N 3.14Å; S281-S284 PolarHBondContact OG-OG 3.01Å; S284-I287 PolarHBondContact O-N 2.88Å; S284-R288 WeakPolarHBondContact O-CG 2.87Å; S284-R288 PolarHBondContact O-N 2.86Å
285S80.8Confident69.4Low50 Ų5087.2 Ų87.235%0.3545%0.452SS..Hα-helixtrans-67.6-35.2174.271.30000113.7S281 Q282 I283 K289S281-S285 PolarHBondContact O-N 2.83Å; Q282-S285 PolarHBondContact O-OG 2.61Å; I283-S285 PolarHBondContact O-N 3.33Å; S285-K289 WeakPolarHBondContact O-CG 3.17Å; S285-K289 PolarHBondContact O-N 3.07Å; S285-K289 VanDerWaalsContact O-N 3.16Å
286K82.2Confident70.8Confident93 Ų9382.2 Ų82.240%0.40444%0.437SS..Hα-helixtrans-67.9-39.2173.9-75175.7-179.1177.50112L260 Q282 I283 K289 I290L260-K286 HydrophobicContact CD1-CB 4.34Å; L260-K286 HydrophobicContact CD2-CB 4.24Å; Q282-K286 WeakPolarHBondContact O-CG 3.48Å; Q282-K286 PolarHBondContact O-N 2.93Å; I283-K286 WeakPolarHBondContact O-CB 3.41Å; I283-K286 PolarHBondContact O-N 3.19Å; K286-K289 PolarHBondContact O-N 3.41Å; K286-I290 PolarHBondContact O-N 3.45Å
287I79.8Confident72.2Confident15 Ų1578.8 Ų78.88%0.07741%0.412CS..Hα-helixtrans-62.2-50.7176.3-69.1170.9000109.9L260 A263 T264 I283 S284 K289 I290 D291L260-I287 HydrophobicContact CD2-CG1 3.77Å; A263-I287 HydrophobicContact CB-CD1 3.73Å; A263-I287 HydrophobicContact CB-CG1 4.25Å; T264-I287 HydrophobicContact CG2-CG2 3.47Å; T264-I287 VanDerWaalsContact CG2-CG2 3.47Å; I283-I287 HydrophobicContact CG2-CD1 3.96Å; I283-I287 HydrophobicContact CG2-CG1 4.41Å; I283-I287 WeakPolarHBondContact O-CG1 3.24Å; I283-I287 PolarHBondContact O-N 3.31Å; S284-I287 PolarHBondContact O-N 2.88Å; I287-K289 VanDerWaalsContact C-N 3.34Å; I287-K289 PolarHBondContact O-N 3.42Å; I287-I290 PolarHBondContact O-N 3.34Å; I287-D291 PolarHBondContact O-N 2.8Å; I287-D291 VanDerWaalsContact O-N 3.11Å
288R79.9Confident73.2Confident137 Ų13776.7 Ų76.752%0.51740%0.398SS..Hα-helixtrans-57.1-43.3177.2-73.1-179.3-173.31516.1112.9D280 S284 I290 D291 E292D280-R288 IonicContact OD1-CZ 3.73Å; D280-R288 IonicContact OD1-NH1 3.57Å; D280-R288 PolarHBondContact OD1-NH1 3.34Å; D280-R288 IonicContact OD1-NH2 3.59Å; S284-R288 WeakPolarHBondContact O-CG 2.87Å; S284-R288 PolarHBondContact O-N 2.86Å; R288-I290 VanDerWaalsContact C-N 3.34Å; R288-I290 PolarHBondContact O-N 3.08Å; R288-D291 WeakPolarHBondContact O-CB 3.31Å; R288-D291 PolarHBondContact O-N 3.09Å; R288-E292 WeakPolarHBondContact O-CB 3.38Å; R288-E292 WeakPolarHBondContact O-CG 3.49Å; R288-E292 PolarHBondContact O-N 2.84Å
289K80.9Confident74.1Confident130 Ų13073.9 Ų73.957%0.56538%0.382SS*.Hα-helixtrans-59.9-42.8178.2-76.3178.4179.2-172.10112.8S285 K286 I287 D291 E292 D293S285-K289 WeakPolarHBondContact O-CG 3.17Å; S285-K289 PolarHBondContact O-N 3.07Å; S285-K289 VanDerWaalsContact O-N 3.16Å; K286-K289 PolarHBondContact O-N 3.41Å; I287-K289 VanDerWaalsContact C-N 3.34Å; I287-K289 PolarHBondContact O-N 3.42Å; K289-D291 VanDerWaalsContact C-N 3.32Å; K289-E292 PolarHBondContact O-N 2.87Å; K289-D293 WeakPolarHBondContact O-CB 3.32Å; K289-D293 PolarHBondContact O-N 3.47Å
290I76.4Confident74.6Confident31 Ų3172.2 Ų72.216%0.15937%0.373CS..Hα-helixtrans-65.6-40178.3-72165000110.7L260 Y261 K286 I287 R288 D293 I294L260-I290 HydrophobicContact CB-CD1 3.36Å; L260-I290 HydrophobicContact CD1-CD1 3.67Å; L260-I290 HydrophobicContact CG-CD1 4.13Å; Y261-I290 HydrophobicContact CD2-CG2 4.45Å; K286-I290 PolarHBondContact O-N 3.45Å; I287-I290 PolarHBondContact O-N 3.34Å; R288-I290 VanDerWaalsContact C-N 3.34Å; R288-I290 PolarHBondContact O-N 3.08Å; I290-D293 PolarHBondContact O-N 2.88Å; I290-I294 HydrophobicContact CG2-CD1 3.87Å; I290-I294 VanDerWaalsContact O-CG1 3.27Å; I290-I294 WeakPolarHBondContact O-CG1 3.12Å; I290-I294 PolarHBondContact O-N 3.41Å
291D76.7Confident74.6Confident63 Ų6371.7 Ų71.734%0.33737%0.367SS..Hα-helixtrans-65.6-42.6178-162.447000112.5T264 I287 R288 K289 S295T264-D291 HydrophobicContact CG2-CB 3.97Å; I287-D291 PolarHBondContact O-N 2.8Å; I287-D291 VanDerWaalsContact O-N 3.11Å; R288-D291 WeakPolarHBondContact O-CB 3.31Å; R288-D291 PolarHBondContact O-N 3.09Å; K289-D291 VanDerWaalsContact C-N 3.32Å; D291-S295 WeakPolarHBondContact O-CB 3.37Å; D291-S295 PolarHBondContact O-N 2.91Å; D291-S295 PolarHBondContact O-OG 2.85Å
292E78.7Confident74.1Confident124 Ų12477 Ų7758%0.57939%0.391SS*.Hα-helixtrans-62.6-46.1173.4-74.2171.5-171.900111.8R288 K289 I294 S295 S296R288-E292 WeakPolarHBondContact O-CB 3.38Å; R288-E292 WeakPolarHBondContact O-CG 3.49Å; R288-E292 PolarHBondContact O-N 2.84Å; K289-E292 PolarHBondContact O-N 2.87Å; E292-I294 PolarHBondContact O-N 3.23Å; E292-S295 PolarHBondContact O-N 2.92Å; E292-S296 VanDerWaalsContact O-CB 3.3Å; E292-S296 WeakPolarHBondContact O-CB 3.31Å; E292-S296 PolarHBondContact O-N 2.81Å; E292-S296 PolarHBondContact O-OG 2.8Å
293D74.8Confident73.3Confident98 Ų9876.4 Ų76.452%0.52439%0.388SS..Hα-helixtrans-59.1-47.3178.7-73.4-20.4000110.4K289 I290 S296 E297K289-D293 WeakPolarHBondContact O-CB 3.32Å; K289-D293 PolarHBondContact O-N 3.47Å; I290-D293 PolarHBondContact O-N 2.88Å; D293-S296 PolarHBondContact O-N 3.31Å; D293-S296 PolarHBondContact O-OG 3.2Å; D293-E297 WeakPolarHBondContact O-CG 3.49Å; D293-E297 PolarHBondContact O-N 3.02Å
294I72.1Confident72.3Confident14 Ų1480.4 Ų80.47%0.07241%0.41CS..Hα-helixtrans-65-47.9179.1-67.3168.3000111.3Y261 I290 E292 S296 E297 E298 I318Y261-I294 HydrophobicContact CD2-CD1 3.33Å; Y261-I294 HydrophobicContact CE2-CD1 3.41Å; Y261-I294 VanDerWaalsContact CE2-CD1 3.41Å; Y261-I294 HydrophobicContact CG-CD1 4.33Å; I290-I294 HydrophobicContact CG2-CD1 3.87Å; I290-I294 VanDerWaalsContact O-CG1 3.27Å; I290-I294 WeakPolarHBondContact O-CG1 3.12Å; I290-I294 PolarHBondContact O-N 3.41Å; E292-I294 PolarHBondContact O-N 3.23Å; I294-S296 VanDerWaalsContact C-N 3.3Å; I294-S296 PolarHBondContact O-N 3.39Å; I294-E297 PolarHBondContact O-N 3.32Å; I294-E297 VanDerWaalsContact O-N 3.14Å; I294-E298 HydrophobicContact CG2-CG 4.44Å; I294-E298 PolarHBondContact O-N 2.78Å; I294-I318 HydrophobicContact CG1-CD1 4.46Å; I294-I318 HydrophobicContact CG2-CD1 4.1Å
295S74.3Confident71.2Confident51 Ų5188.7 Ų88.736%0.35745%0.447SS..Hα-helixtrans-60.1-41.6-179.9-62.10000111.8D291 E292 E297 E298 I299D291-S295 WeakPolarHBondContact O-CB 3.37Å; D291-S295 PolarHBondContact O-N 2.91Å; D291-S295 PolarHBondContact O-OG 2.85Å; E292-S295 PolarHBondContact O-N 2.92Å; S295-E297 VanDerWaalsContact C-N 3.26Å; S295-E297 PolarHBondContact O-N 3.07Å; S295-E298 PolarHBondContact O-N 2.87Å; S295-I299 WeakPolarHBondContact O-CD1 3.31Å; S295-I299 VanDerWaalsContact O-CG1 3.28Å; S295-I299 WeakPolarHBondContact O-CG1 3.39Å; S295-I299 PolarHBondContact O-N 2.86Å; S295-I299 VanDerWaalsContact O-N 3.16Å
296S70.8Confident70Confident67 Ų6793.7 Ų93.747%0.46947%0.47SS..Hα-helixtrans-63.7-33.3178.774.10000112.6E292 D293 I294 A300E292-S296 VanDerWaalsContact O-CB 3.3Å; E292-S296 WeakPolarHBondContact O-CB 3.31Å; E292-S296 PolarHBondContact O-N 2.81Å; E292-S296 PolarHBondContact O-OG 2.8Å; D293-S296 PolarHBondContact O-N 3.31Å; D293-S296 PolarHBondContact O-OG 3.2Å; I294-S296 VanDerWaalsContact C-N 3.3Å; I294-S296 PolarHBondContact O-N 3.39Å; S296-A300 WeakPolarHBondContact O-CB 3.19Å; S296-A300 PolarHBondContact O-N 2.71Å; S296-A300 VanDerWaalsContact O-N 3.12Å
297E64.7Low68.4Low54 Ų5492.5 Ų92.525%0.25248%0.477SS..Hα-helixtrans-79.7-38.2178.3-71.8180176.200113.3D293 I294 S295 I299 A300 Q301 S314D293-E297 WeakPolarHBondContact O-CG 3.49Å; D293-E297 PolarHBondContact O-N 3.02Å; I294-E297 PolarHBondContact O-N 3.32Å; I294-E297 VanDerWaalsContact O-N 3.14Å; S295-E297 VanDerWaalsContact C-N 3.26Å; S295-E297 PolarHBondContact O-N 3.07Å; E297-I299 VanDerWaalsContact C-N 3.25Å; E297-I299 PolarHBondContact O-N 3.17Å; E297-A300 PolarHBondContact O-N 2.9Å; E297-A300 VanDerWaalsContact O-N 3.13Å; E297-Q301 WeakPolarHBondContact O-CG 3.29Å; E297-Q301 PolarHBondContact O-N 3.3Å; E297-S314 PolarHBondContact OE1-OG 3.29Å; E297-S314 WeakPolarHBondContact OE2-CB 3.35Å; E297-S314 PolarHBondContact OE2-OG 3.02Å
298E65.7Low66.9Low109 Ų10997.3 Ų97.351%0.50951%0.509SS..Hα-helixtrans-58.3-41.9172.8-72.5-173.9160.200110.6I294 S295 Q301 I302I294-E298 HydrophobicContact CG2-CG 4.44Å; I294-E298 PolarHBondContact O-N 2.78Å; S295-E298 PolarHBondContact O-N 2.87Å; E298-Q301 PolarHBondContact O-N 3.11Å; E298-I302 WeakPolarHBondContact O-CD1 3.23Å; E298-I302 VanDerWaalsContact O-CG1 3.24Å; E298-I302 WeakPolarHBondContact O-CG1 3.43Å; E298-I302 PolarHBondContact O-N 3.12Å; E298-I302 VanDerWaalsContact O-N 3.1Å
299I65.5Low65.5Low94 Ų9495.2 Ų95.248%0.48252%0.515SS..Hα-helixtrans-62.1-46.4173.4-65.3166.2000110.7S295 E297 Q301 I302 E303S295-I299 WeakPolarHBondContact O-CD1 3.31Å; S295-I299 VanDerWaalsContact O-CG1 3.28Å; S295-I299 WeakPolarHBondContact O-CG1 3.39Å; S295-I299 PolarHBondContact O-N 2.86Å; S295-I299 VanDerWaalsContact O-N 3.16Å; E297-I299 VanDerWaalsContact C-N 3.25Å; E297-I299 PolarHBondContact O-N 3.17Å; I299-Q301 VanDerWaalsContact C-N 3.33Å; I299-Q301 PolarHBondContact O-N 2.94Å; I299-I302 PolarHBondContact O-N 3.17Å; I299-E303 HydrophobicContact CG2-CG 4.43Å; I299-E303 WeakPolarHBondContact O-CG 3.17Å; I299-E303 PolarHBondContact O-N 2.82Å
300A63.4Low63.9Low48 Ų4897.9 Ų97.940%0.39753%0.53SS..Hα-helixtrans-63.6-35.5179.400000113.3S296 E297 N304S296-A300 WeakPolarHBondContact O-CB 3.19Å; S296-A300 PolarHBondContact O-N 2.71Å; S296-A300 VanDerWaalsContact O-N 3.12Å; E297-A300 PolarHBondContact O-N 2.9Å; E297-A300 VanDerWaalsContact O-N 3.13Å; A300-N304 PolarHBondContact O-N 3.17Å
301Q62.1Low62.7Low110 Ų11098.4 Ų98.451%0.51454%0.537SS..Hα-helixtrans-67.7-38.1174.8-74.1-175.30.100112.1E297 E298 I299E297-Q301 WeakPolarHBondContact O-CG 3.29Å; E297-Q301 PolarHBondContact O-N 3.3Å; E298-Q301 PolarHBondContact O-N 3.11Å; I299-Q301 VanDerWaalsContact C-N 3.33Å; I299-Q301 PolarHBondContact O-N 2.94Å
302I63.8Low62Low141 Ų141103.3 Ų103.372%0.72356%0.555SS**Hα-helixtrans-67.7-40.5176.2-67.7164.3000110.6E298 I299E298-I302 WeakPolarHBondContact O-CD1 3.23Å; E298-I302 VanDerWaalsContact O-CG1 3.24Å; E298-I302 WeakPolarHBondContact O-CG1 3.43Å; E298-I302 PolarHBondContact O-N 3.12Å; E298-I302 VanDerWaalsContact O-N 3.1Å; I299-I302 PolarHBondContact O-N 3.17Å
303E64.4Low61.1Low141 Ų141102.4 Ų102.466%0.65955%0.553SS**Hα-helixtrans-81.3-25.5-175.3-70-175.4166.500114.2I299I299-E303 HydrophobicContact CG2-CG 4.43Å; I299-E303 WeakPolarHBondContact O-CG 3.17Å; I299-E303 PolarHBondContact O-N 2.82Å
304N59.9Low60.6Low104 Ų10498.1 Ų98.156%0.55653%0.531SS*.  trans-141.2100.4-176.5-80.8-57.9000113.7A300 N306 A307A300-N304 PolarHBondContact O-N 3.17Å; N304-N306 PolarHBondContact O-N 3.27Å; N304-A307 HydrophobicContact CB-CB 4.21Å
305Q58.7Low60.5Low188 Ų188101.8 Ų101.888%0.87955%0.548SS*.THydrogen-bonded Turntrans-63.5-4.3175-67.1-176.8-1.300114.9
306N54.7Low60.3Low156 Ų156102.2 Ų102.283%0.83454%0.542SS*.THydrogen-bonded Turntrans-129.616.9-171.8-70.6-43.3000114.5N304 P308N304-N306 PolarHBondContact O-N 3.27Å; N306-P308 WeakPolarHBondContact O-CD 3.49Å
307A49.9Very low60.2Low68 Ų68102 Ų10256%0.56253%0.531SS*.  trans-73.9122.9-178.100000112.6N304N304-A307 HydrophobicContact CB-CB 4.21Å
308P48.2Very low60.6Low116 Ų116101.4 Ų101.475%0.75353%0.529SS*.  trans-85.1115.4179.220.4-10.4000113.2N306 Q310N306-P308 WeakPolarHBondContact O-CD 3.49Å; P308-Q310 PolarHBondContact O-N 2.88Å
309S49.3Very low61Low92 Ų9299.1 Ų99.164%0.64353%0.525SS*.SBendtrans56.748.4139.169.40000121.1S311S309-S311 VanDerWaalsContact C-N 3.27Å
310Q47.5Very low61.4Low187 Ų18794.8 Ų94.887%0.87450%0.503SS*.SBendtrans-87.9-6.1139.5-80.8176.7-19.800111.8P308 K312P308-Q310 PolarHBondContact O-N 2.88Å; Q310-K312 PolarHBondContact O-N 3.04Å; Q310-K312 VanDerWaalsContact O-N 3.07Å
311S52Low62.2Low42 Ų4293.3 Ų93.329%0.29449%0.488SS..THydrogen-bonded Turntrans-69.78.4-163.469.20000119.5S309 E315S309-S311 VanDerWaalsContact C-N 3.27Å; S311-E315 WeakPolarHBondContact O-CB 3.4Å; S311-E315 VanDerWaalsContact O-CG 3.28Å; S311-E315 WeakPolarHBondContact O-CG 3.3Å
312K61.1Low63Low165 Ų16591.6 Ų91.672%0.71748%0.482SS*.THydrogen-bonded Turntrans-90.9-23.1-168.8-76.3-172.3-179.8177.90115.4Q310 Y316Q310-K312 PolarHBondContact O-N 3.04Å; Q310-K312 VanDerWaalsContact O-N 3.07Å; K312-Y316 WeakPolarHBondContact O-CB 3.44Å; K312-Y316 PolarHBondContact O-N 2.58Å
313I60.2Low63.2Low106 Ų10686.7 Ų86.754%0.54446%0.456SS..Hα-helixtrans-90.3-48.9-164.9-68.3176.4000111.6Y316 Y317I313-Y316 CarbonylContact O-C 3.5Å; I313-Y316 WeakPolarHBondContact O-CA 3.42Å; I313-Y316 VanDerWaalsContact O-CB 3.32Å; I313-Y316 WeakPolarHBondContact O-CB 3.2Å; I313-Y316 PolarHBondContact O-N 2.92Å; I313-Y317 HydrophobicContact CG2-CD2 3.97Å; I313-Y317 HydrophobicContact CG2-CE1 4.42Å; I313-Y317 HydrophobicContact CG2-CE2 3.16Å; I313-Y317 VanDerWaalsContact CG2-CZ 3.42Å; I313-Y317 WeakPolarHBondContact CG2-OH 3.4Å; I313-Y317 WeakPolarHBondContact O-CD2 3.43Å; I313-Y317 PolarHBondContact O-N 2.78Å
314S63.4Low63.7Low8 Ų880.1 Ų80.16%0.05643%0.426CS..Hα-helixtrans-63.9-48.7173.450.90000113.1E297 Y316 Y317 I318E297-S314 PolarHBondContact OE1-OG 3.29Å; E297-S314 WeakPolarHBondContact OE2-CB 3.35Å; E297-S314 PolarHBondContact OE2-OG 3.02Å; S314-Y316 PolarHBondContact O-N 3.18Å; S314-Y317 PolarHBondContact O-N 3.29Å; S314-I318 WeakPolarHBondContact O-CB 2.94Å; S314-I318 WeakPolarHBondContact O-CG1 3.44Å; S314-I318 PolarHBondContact O-N 3.15Å
315E70.7Confident64.3Low91 Ų9177.7 Ų77.743%0.42541%0.41SS..Hα-helixtrans-55.6-37.1171.9-74.8-179-170.300110S311 S319S311-E315 WeakPolarHBondContact O-CB 3.4Å; S311-E315 VanDerWaalsContact O-CG 3.28Å; S311-E315 WeakPolarHBondContact O-CG 3.3Å; E315-S319 WeakPolarHBondContact O-CA 3.49Å; E315-S319 WeakPolarHBondContact O-CB 3.4Å; E315-S319 PolarHBondContact O-N 2.86Å; E315-S319 PolarHBondContact O-OG 3.28Å
316Y69.4Low64.8Low60 Ų6069.3 Ų69.324%0.23537%0.374CS..Hα-helixtrans-67.5-43.4174.8178.2-85000112.5D254 K312 I313 S314 S319 S320D254-Y316 HydrophobicContact CB-CE1 3.71Å; D254-Y316 WeakPolarHBondContact OD2-CE1 3.43Å; D254-Y316 PolarHBondContact OD2-OH 3.31Å; K312-Y316 WeakPolarHBondContact O-CB 3.44Å; K312-Y316 PolarHBondContact O-N 2.58Å; I313-Y316 CarbonylContact O-C 3.5Å; I313-Y316 WeakPolarHBondContact O-CA 3.42Å; I313-Y316 VanDerWaalsContact O-CB 3.32Å; I313-Y316 WeakPolarHBondContact O-CB 3.2Å; I313-Y316 PolarHBondContact O-N 2.92Å; S314-Y316 PolarHBondContact O-N 3.18Å; Y316-S319 WeakPolarHBondContact CA-OG 3.38Å; Y316-S319 PolarHBondContact O-OG 3.38Å; Y316-S320 WeakPolarHBondContact CE1-OG 3.37Å; Y316-S320 WeakPolarHBondContact O-CB 3.44Å; Y316-S320 PolarHBondContact O-N 3.43Å; Y316-S320 PolarHBondContact O-OG 3.09Å
317Y70.1Confident65.2Low62 Ų6270.4 Ų70.424%0.24338%0.38CS..Hα-helixtrans-67.6-45.5176.8-60.5-44.1000112.4D254 P257 I313 S314 S320 F321D254-Y317 HydrophobicContact CB-CE1 4.37Å; P257-Y317 HydrophobicContact CB-CD1 3.78Å; P257-Y317 HydrophobicContact CB-CE1 3.48Å; P257-Y317 VanDerWaalsContact CB-CE1 3.48Å; P257-Y317 HydrophobicContact CB-CE2 4.27Å; P257-Y317 HydrophobicContact CB-CG 4.34Å; P257-Y317 HydrophobicContact CG-CE1 3.9Å; I313-Y317 HydrophobicContact CG2-CD2 3.97Å; I313-Y317 HydrophobicContact CG2-CE1 4.42Å; I313-Y317 HydrophobicContact CG2-CE2 3.16Å; I313-Y317 VanDerWaalsContact CG2-CZ 3.42Å; I313-Y317 WeakPolarHBondContact CG2-OH 3.4Å; I313-Y317 WeakPolarHBondContact O-CD2 3.43Å; I313-Y317 PolarHBondContact O-N 2.78Å; S314-Y317 PolarHBondContact O-N 3.29Å; Y317-S320 PolarHBondContact O-N 3.38Å; Y317-F321 WeakPolarHBondContact O-CB 3.31Å; Y317-F321 PolarHBondContact O-N 3.26Å
318I73.1Confident66Low41 Ų4173 Ų7321%0.2139%0.394CS..Hα-helixtrans-63.7-45.3177.4-66167.7000109.6I294 S314 S320 F321 N322I294-I318 HydrophobicContact CG1-CD1 4.46Å; I294-I318 HydrophobicContact CG2-CD1 4.1Å; S314-I318 WeakPolarHBondContact O-CB 2.94Å; S314-I318 WeakPolarHBondContact O-CG1 3.44Å; S314-I318 PolarHBondContact O-N 3.15Å; I318-S320 PolarHBondContact O-N 2.86Å; I318-F321 PolarHBondContact O-N 3.21Å; I318-N322 VanDerWaalsContact CG2-ND2 3.33Å; I318-N322 WeakPolarHBondContact CG2-ND2 3.25Å; I318-N322 WeakPolarHBondContact O-CB 3.38Å; I318-N322 PolarHBondContact O-N 3.31Å; I318-N322 PolarHBondContact O-ND2 3.03Å
319S74.4Confident67Low62 Ų6271.7 Ų71.743%0.43437%0.374SS..Hα-helixtrans-64.2-40.8176.161.80000112E315 Y316 N322 Q323E315-S319 WeakPolarHBondContact O-CA 3.49Å; E315-S319 WeakPolarHBondContact O-CB 3.4Å; E315-S319 PolarHBondContact O-N 2.86Å; E315-S319 PolarHBondContact O-OG 3.28Å; Y316-S319 WeakPolarHBondContact CA-OG 3.38Å; Y316-S319 PolarHBondContact O-OG 3.38Å; S319-N322 PolarHBondContact O-N 3.28Å; S319-Q323 WeakPolarHBondContact O-CB 3.47Å; S319-Q323 PolarHBondContact O-N 2.88Å
320S73.4Confident68.3Low2 Ų270.8 Ų70.81%0.01437%0.366CS..Hα-helixtrans-67.8-40.4176.1-60.50000112.1Y316 Y317 I318 Q323 I324Y316-S320 WeakPolarHBondContact CE1-OG 3.37Å; Y316-S320 WeakPolarHBondContact O-CB 3.44Å; Y316-S320 PolarHBondContact O-N 3.43Å; Y316-S320 PolarHBondContact O-OG 3.09Å; Y317-S320 PolarHBondContact O-N 3.38Å; I318-S320 PolarHBondContact O-N 2.86Å; S320-Q323 WeakPolarHBondContact O-CB 3.01Å; S320-Q323 PolarHBondContact O-N 3.3Å; S320-I324 WeakPolarHBondContact O-CG1 3.49Å; S320-I324 PolarHBondContact O-N 3.46Å
321F79.3Confident70.2Confident18 Ų1865.7 Ų65.78%0.07935%0.348CS..Hα-helixtrans-63.5-50174.4-179.7-88.1000110.2I258 Y261 K262 L265 Y317 I318 Q323 I324 F325I258-F321 HydrophobicContact CG2-CB 4.28Å; I258-F321 HydrophobicContact CG2-CD2 3.9Å; Y261-F321 HydrophobicContact CD1-CB 3.75Å; Y261-F321 AromaticContact CD1-CD1 3.98Å; Y261-F321 HydrophobicContact CD1-CD1 3.98Å; Y261-F321 AromaticContact CD1-CD2 3.59Å; Y261-F321 HydrophobicContact CD1-CD2 3.59Å; Y261-F321 HydrophobicContact CD1-CE2 4.21Å; Y261-F321 AromaticContact CD1-CG 3.48Å; Y261-F321 HydrophobicContact CD1-CG 3.48Å; Y261-F321 VanDerWaalsContact CD1-CG 3.48Å; Y261-F321 HydrophobicContact CE1-CB 3.89Å; Y261-F321 AromaticContact CE1-CD1 3.54Å; Y261-F321 HydrophobicContact CE1-CD1 3.54Å; Y261-F321 HydrophobicContact CE1-CD2 4.04Å; Y261-F321 HydrophobicContact CE1-CE1 4.07Å; Y261-F321 AromaticContact CE1-CG 3.53Å; Y261-F321 HydrophobicContact CE1-CG 3.53Å; K262-F321 HydrophobicContact CB-CD2 4.37Å; K262-F321 HydrophobicContact CB-CE2 3.61Å; K262-F321 HydrophobicContact CG-CE2 3.81Å; K262-F321 HydrophobicContact CG-CZ 4.35Å; L265-F321 HydrophobicContact CD1-CD1 4.2Å; L265-F321 HydrophobicContact CD1-CE1 3.37Å; L265-F321 HydrophobicContact CD1-CE2 4.1Å; L265-F321 HydrophobicContact CD1-CZ 3.32Å; Y317-F321 WeakPolarHBondContact O-CB 3.31Å; Y317-F321 PolarHBondContact O-N 3.26Å; I318-F321 PolarHBondContact O-N 3.21Å; F321-Q323 PolarHBondContact O-N 3.23Å; F321-I324 CarbonylContact O-C 3.56Å; F321-I324 PolarHBondContact O-N 2.78Å; F321-F325 HydrophobicContact CD1-CB 4.28Å; F321-F325 AromaticContact CD2-CD2 3.6Å; F321-F325 HydrophobicContact CD2-CD2 3.6Å; F321-F325 HydrophobicContact CD2-CE2 4.12Å; F321-F325 HydrophobicContact CE1-CB 3.78Å; F321-F325 HydrophobicContact CE1-CD2 4.28Å; F321-F325 HydrophobicContact CE1-CG 4.47Å; F321-F325 HydrophobicContact CE2-CB 4.27Å; F321-F325 AromaticContact CE2-CD2 3.27Å; F321-F325 HydrophobicContact CE2-CD2 3.27Å; F321-F325 AromaticContact CE2-CE2 3.73Å; F321-F325 HydrophobicContact CE2-CE2 3.73Å; F321-F325 HydrophobicContact CE2-CG 4.09Å; F321-F325 HydrophobicContact CG-CD2 4.21Å; F321-F325 HydrophobicContact CZ-CB 3.76Å; F321-F325 AromaticContact CZ-CD2 3.65Å; F321-F325 HydrophobicContact CZ-CD2 3.65Å; F321-F325 HydrophobicContact CZ-CE2 4.41Å; F321-F325 HydrophobicContact CZ-CG 4.01Å; F321-F325 PolarHBondContact O-N 2.81Å
322N78.8Confident72.2Confident74 Ų7464 Ų6440%0.39634%0.335SS..Hα-helixtrans-63.4-26.8175.9-72.2-25.7000112.2I318 S319 I324 G326 R329I318-N322 VanDerWaalsContact CG2-ND2 3.33Å; I318-N322 WeakPolarHBondContact CG2-ND2 3.25Å; I318-N322 WeakPolarHBondContact O-CB 3.38Å; I318-N322 PolarHBondContact O-N 3.31Å; I318-N322 PolarHBondContact O-ND2 3.03Å; S319-N322 PolarHBondContact O-N 3.28Å; N322-I324 VanDerWaalsContact C-N 3.28Å; N322-G326 VanDerWaalsContact O-CA 3.31Å; N322-G326 WeakPolarHBondContact O-CA 3.49Å; N322-G326 PolarHBondContact O-N 2.91Å; N322-R329 WeakPolarHBondContact O-CD 3.38Å; N322-R329 PolarHBondContact O-NE 3.14Å
323Q69.6Low73.9Confident37 Ų3757.3 Ų57.317%0.17331%0.308CS..Hα-helixtrans-68.9-27.7172.7-171.1174.118.600112.3H248 S319 S320 F321 R329H248-Q323 VanDerWaalsContact CA-NE2 3.34Å; H248-Q323 HydrophobicContact CB-CG 4.03Å; H248-Q323 PolarHBondContact ND1-NE2 3.47Å; S319-Q323 WeakPolarHBondContact O-CB 3.47Å; S319-Q323 PolarHBondContact O-N 2.88Å; S320-Q323 WeakPolarHBondContact O-CB 3.01Å; S320-Q323 PolarHBondContact O-N 3.3Å; F321-Q323 PolarHBondContact O-N 3.23Å; Q323-R329 WeakPolarHBondContact O-CD 3.45Å; Q323-R329 VanDerWaalsContact O-CZ 3.24Å; Q323-R329 PolarHBondContact O-NE 3.04Å; Q323-R329 PolarHBondContact O-NH1 2.8Å
324I74.3Confident75.7Confident4 Ų452.3 Ų52.32%0.02128%0.282CS..Hα-helixtrans-96.4-38.8178.5-57.7166.9000111.8I222 F224 V250 I258 S320 F321 N322 F353I222-I324 HydrophobicContact CD1-CB 4.34Å; I222-I324 HydrophobicContact CD1-CG1 4.26Å; I222-I324 HydrophobicContact CD1-CG2 4.13Å; I222-I324 HydrophobicContact CG2-CG1 4.03Å; F224-I324 HydrophobicContact CE1-CD1 4.09Å; F224-I324 HydrophobicContact CZ-CD1 4.13Å; V250-I324 HydrophobicContact CG1-CD1 4.42Å; V250-I324 HydrophobicContact CG2-CD1 4.26Å; V250-I324 HydrophobicContact CG2-CG1 4.39Å; I258-I324 HydrophobicContact CD1-CD1 4.44Å; I258-I324 HydrophobicContact CG2-CD1 4.36Å; S320-I324 WeakPolarHBondContact O-CG1 3.49Å; S320-I324 PolarHBondContact O-N 3.46Å; F321-I324 CarbonylContact O-C 3.56Å; F321-I324 PolarHBondContact O-N 2.78Å; N322-I324 VanDerWaalsContact C-N 3.28Å; I324-F353 HydrophobicContact CD1-CD1 4.19Å; I324-F353 HydrophobicContact CD1-CE1 4Å; I324-F353 HydrophobicContact CG2-CB 4.44Å; I324-F353 HydrophobicContact CG2-CD1 3.67Å; I324-F353 HydrophobicContact CG2-CE1 4.42Å; I324-F353 HydrophobicContact CG2-CG 4.43Å
325F71.6Confident77.3Confident53 Ų5352 Ų5223%0.23228%0.279CS..Hα-helixtrans-130.54.3-165.9-62.3-67.2000115.3K262 F321 N327 F353K262-F325 HydrophobicContact CD-CE2 3.88Å; K262-F325 HydrophobicContact CD-CZ 3.75Å; F321-F325 HydrophobicContact CD1-CB 4.28Å; F321-F325 AromaticContact CD2-CD2 3.6Å; F321-F325 HydrophobicContact CD2-CD2 3.6Å; F321-F325 HydrophobicContact CD2-CE2 4.12Å; F321-F325 HydrophobicContact CE1-CB 3.78Å; F321-F325 HydrophobicContact CE1-CD2 4.28Å; F321-F325 HydrophobicContact CE1-CG 4.47Å; F321-F325 HydrophobicContact CE2-CB 4.27Å; F321-F325 AromaticContact CE2-CD2 3.27Å; F321-F325 HydrophobicContact CE2-CD2 3.27Å; F321-F325 AromaticContact CE2-CE2 3.73Å; F321-F325 HydrophobicContact CE2-CE2 3.73Å; F321-F325 HydrophobicContact CE2-CG 4.09Å; F321-F325 HydrophobicContact CG-CD2 4.21Å; F321-F325 HydrophobicContact CZ-CB 3.76Å; F321-F325 AromaticContact CZ-CD2 3.65Å; F321-F325 HydrophobicContact CZ-CD2 3.65Å; F321-F325 HydrophobicContact CZ-CE2 4.41Å; F321-F325 HydrophobicContact CZ-CG 4.01Å; F321-F325 PolarHBondContact O-N 2.81Å; F325-N327 PolarHBondContact O-N 3.17Å; F325-F353 HydrophobicContact CD2-CD1 4.27Å; F325-F353 HydrophobicContact CD2-CE1 4.46Å; F325-F353 HydrophobicContact CE1-CB 4.42Å; F325-F353 HydrophobicContact CE1-CD1 4.09Å; F325-F353 AromaticContact CE2-CD1 3.16Å; F325-F353 HydrophobicContact CE2-CD1 3.16Å; F325-F353 AromaticContact CE2-CE1 3.38Å; F325-F353 HydrophobicContact CE2-CE1 3.38Å; F325-F353 HydrophobicContact CE2-CG 4.33Å; F325-F353 HydrophobicContact CZ-CB 4.02Å; F325-F353 AromaticContact CZ-CD1 3.06Å; F325-F353 HydrophobicContact CZ-CD1 3.06Å; F325-F353 AromaticContact CZ-CE1 3.74Å; F325-F353 HydrophobicContact CZ-CE1 3.74Å; F325-F353 AromaticContact CZ-CG 3.85Å; F325-F353 HydrophobicContact CZ-CG 3.85Å
326G70.8Confident78.7Confident11 Ų1147.6 Ų47.611%0.11326%0.259CS..  trans-55.6140.217900000111.2N322 S328 R329N322-G326 VanDerWaalsContact O-CA 3.31Å; N322-G326 WeakPolarHBondContact O-CA 3.49Å; N322-G326 PolarHBondContact O-N 2.91Å; G326-S328 PolarHBondContact O-N 3.36Å; G326-R329 WeakPolarHBondContact O-CB 3.31Å; G326-R329 PolarHBondContact O-N 2.92Å
327N62.2Low80.1Confident180 Ų18044.8 Ų44.896%0.96325%0.248SC*.THydrogen-bonded Turntrans-53.3-20.1-171.7-69.4-21.7000115.4F325F325-N327 PolarHBondContact O-N 3.17Å
328S66.4Low81.4Confident121 Ų12141.8 Ų41.885%0.84624%0.236SC*.THydrogen-bonded Turntrans-94.7-1.8178.945.20000114.1G326G326-S328 PolarHBondContact O-N 3.36Å
329R70Confident82.4Confident90 Ų9040 Ų4034%0.3423%0.227SC..SBendtrans-95.1141.9-177.6-70.8-168.9177-125.5-8.4112.5H248 N322 Q323 G326H248-R329 PolarHBondContact CD2-NH1 2.83Å; H248-R329 PolarHBondContact NE2-NH1 2.99Å; N322-R329 WeakPolarHBondContact O-CD 3.38Å; N322-R329 PolarHBondContact O-NE 3.14Å; Q323-R329 WeakPolarHBondContact O-CD 3.45Å; Q323-R329 VanDerWaalsContact O-CZ 3.24Å; Q323-R329 PolarHBondContact O-NE 3.04Å; Q323-R329 PolarHBondContact O-NH1 2.8Å; G326-R329 WeakPolarHBondContact O-CB 3.31Å; G326-R329 PolarHBondContact O-N 2.92Å
330P75.8Confident83.3Confident73 Ų7345.6 Ų45.647%0.47424%0.239SC..PPolyproline II helixtrans-62.6137.2174.926.4-34.9000110.9T193T193-P330 WeakPolarHBondContact OG1-CG 3.35Å
331T87.7Confident84.3Confident80 Ų8048.7 Ų48.749%0.49125%0.252SS..PPolyproline II helixtrans-56.7138.7173.656.50000110.6D333T331-D333 PolarHBondContact O-N 3.09Å
332P94.1Very high85Confident5 Ų553.1 Ų53.13%0.03227%0.273CS..PPolyproline II helixtrans-59.6133.6175.9-24.834.8000112.6L195 L354 P355L195-P332 HydrophobicContact CD1-CB 4.02Å; L195-P332 HydrophobicContact CD1-CG 4.28Å; L195-P332 HydrophobicContact CD2-CB 3.98Å; L195-P332 HydrophobicContact CD2-CG 3.85Å; L195-P332 HydrophobicContact CG-CB 3.76Å; L195-P332 HydrophobicContact CG-CG 4.14Å; P332-L354 HydrophobicContact CB-CD1 4.41Å; P332-P355 WeakPolarHBondContact O-CD 3.25Å
333D96.3Very high85.8Confident26 Ų2649.6 Ų49.614%0.13925%0.254CS..  trans-93.6-22.4-178.8-65.6-65.6000112.5S192 T193 T331 R358 P359S192-D333 VanDerWaalsContact CA-OD2 3.27Å; S192-D333 WeakPolarHBondContact CA-OD2 3.4Å; T193-D333 PolarHBondContact N-OD2 3.17Å; T193-D333 PolarHBondContact O-N 3.25Å; T331-D333 PolarHBondContact O-N 3.09Å; D333-R358 IonicContact OD1-CZ 3.69Å; D333-R358 VanDerWaalsContact OD1-CZ 3.32Å; D333-R358 IonicContact OD1-NH1 3.71Å; D333-R358 PolarHBondContact OD1-NH1 2.94Å; D333-R358 IonicContact OD1-NH2 2.72Å; D333-R358 PolarHBondContact OD1-NH2 2.72Å; D333-P359 WeakPolarHBondContact O-CD 3.23Å
334S98.1Very high87.1Confident1 Ų148.2 Ų48.21%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-160.3158.8-179.160.70000113.3A186 I188 L195 P359A186-S334 WeakPolarHBondContact O-CB 2.93Å; I188-S334 VanDerWaalsContact CD1-OG 3.23Å; I188-S334 WeakPolarHBondContact CD1-OG 3.42Å; L195-S334 PolarHBondContact N-O 2.87Å; S334-P359 VanDerWaalsContact CA-O 3.3Å; S334-P359 WeakPolarHBondContact CA-O 3.5Å
335L98.4Very high88Confident0 Ų049.2 Ų49.20%025%0.254CS..EExtended strand (participates in β ladder)trans-117.4126.1169.7173.263.3000110.6L195 I337 L350 L351 L354 P359 F360 V361L195-L335 HydrophobicContact CB-CB 4.39Å; L195-L335 HydrophobicContact CB-CD1 3.65Å; L195-L335 HydrophobicContact CD1-CD1 4.47Å; L195-L335 CarbonylContact O-C 3.53Å; L195-L335 WeakPolarHBondContact O-CA 3.3Å; L335-I337 HydrophobicContact CD1-CD1 4.17Å; L335-I337 HydrophobicContact CD1-CG1 3.99Å; L335-I337 HydrophobicContact CD2-CD1 4.06Å; L335-I337 HydrophobicContact CG-CD1 4.17Å; L335-I337 HydrophobicContact CG-CG1 4.19Å; L335-L350 HydrophobicContact CD1-CB 3.83Å; L335-L350 HydrophobicContact CD1-CD1 4.19Å; L335-L350 HydrophobicContact CD2-CB 4Å; L335-L351 HydrophobicContact CD2-CD2 3.94Å; L335-L351 HydrophobicContact CD2-CG 3.98Å; L335-L354 HydrophobicContact CB-CD1 4.33Å; L335-L354 HydrophobicContact CB-CD2 3.86Å; L335-P359 PolarHBondContact N-O 2.69Å; L335-P359 VanDerWaalsContact N-O 3.14Å; L335-F360 HydrophobicContact CB-CB 3.87Å; L335-F360 HydrophobicContact CD2-CB 4.31Å; L335-F360 HydrophobicContact CG-CB 4.34Å; L335-F360 CarbonylContact O-C 3.57Å; L335-F360 WeakPolarHBondContact O-CA 3.42Å; L335-V361 PolarHBondContact O-N 3.31Å
336V98.7Very high89.2Confident0 Ų047.8 Ų47.80%025%0.248CC..EExtended strand (participates in β ladder)trans-122.9123.1177.2177.50000109.4I182 A186 I188 V194 L195 L196 C197 I204 V338 V361I182-V336 HydrophobicContact CG2-CG1 3.58Å; I182-V336 HydrophobicContact CG2-CG2 4.49Å; A186-V336 HydrophobicContact CB-CG2 3.51Å; I188-V336 HydrophobicContact CD1-CG2 4.45Å; V194-V336 HydrophobicContact CG1-CG2 4.18Å; L195-V336 PolarHBondContact O-N 2.65Å; L196-V336 CarbonylContact C-O 3.57Å; L196-V336 WeakPolarHBondContact CA-O 3.09Å; L196-V336 HydrophobicContact CD1-CB 3.83Å; L196-V336 HydrophobicContact CD1-CG1 3.68Å; C197-V336 PolarHBondContact N-O 3.37Å; I204-V336 HydrophobicContact CG2-CG1 4.29Å; V336-V338 HydrophobicContact CG1-CG2 3.84Å; V336-V361 WeakPolarHBondContact CA-O 3.25Å
337I98.4Very high90.4Very high0 Ų047.2 Ų47.20%024%0.243CC..EExtended strand (participates in β ladder)trans-123.2115.8177.9-64.2172000108.5C197 L335 T339 L346 T347 L350 V361 V362 Y363C197-I337 HydrophobicContact CB-CG1 4.31Å; C197-I337 CarbonylContact O-C 3.59Å; C197-I337 WeakPolarHBondContact O-CA 3.38Å; L335-I337 HydrophobicContact CD1-CD1 4.17Å; L335-I337 HydrophobicContact CD1-CG1 3.99Å; L335-I337 HydrophobicContact CD2-CD1 4.06Å; L335-I337 HydrophobicContact CG-CD1 4.17Å; L335-I337 HydrophobicContact CG-CG1 4.19Å; I337-T339 HydrophobicContact CG2-CG2 3.7Å; I337-L346 HydrophobicContact CD1-CG 4.34Å; I337-L346 HydrophobicContact CG2-CD2 3.7Å; I337-L346 HydrophobicContact CG2-CG 4.41Å; I337-T347 HydrophobicContact CD1-CG2 4.15Å; I337-T347 VanDerWaalsContact CD1-OG1 3.28Å; I337-T347 WeakPolarHBondContact CD1-OG1 3.32Å; I337-L350 HydrophobicContact CD1-CD1 4.13Å; I337-L350 HydrophobicContact CG1-CD1 4.29Å; I337-V361 PolarHBondContact N-O 2.71Å; I337-V362 HydrophobicContact CB-CG1 4.18Å; I337-V362 HydrophobicContact CB-CG2 4.34Å; I337-V362 HydrophobicContact CD1-CG2 4.41Å; I337-V362 HydrophobicContact CG2-CG1 4.1Å; I337-V362 CarbonylContact O-C 3.59Å; I337-V362 WeakPolarHBondContact O-CA 3.4Å; I337-Y363 PolarHBondContact O-N 3.49Å
338V97.5Very high91.9Very high0 Ų038.7 Ų38.70%020%0.197CC..EExtended strand (participates in β ladder)trans-129.583.5-179.3-174.90000108.8L172 L174 I182 C197 E198 T199 C200 I204 V336 Y363L172-V338 HydrophobicContact CD1-CG1 4.24Å; L174-V338 HydrophobicContact CD1-CG1 3.52Å; I182-V338 HydrophobicContact CD1-CG2 3.99Å; I182-V338 HydrophobicContact CG2-CG2 4.46Å; C197-V338 PolarHBondContact O-N 3.44Å; E198-V338 CarbonylContact C-O 3.54Å; E198-V338 VanDerWaalsContact CA-O 3.25Å; E198-V338 WeakPolarHBondContact CA-O 3.3Å; E198-V338 HydrophobicContact CB-CB 4.39Å; T199-V338 PolarHBondContact N-O 2.91Å; T199-V338 PolarHBondContact OG1-O 3.03Å; C200-V338 VanDerWaalsContact SG-CG1 3.57Å; I204-V338 HydrophobicContact CD1-CG1 4.28Å; I204-V338 HydrophobicContact CD1-CG2 4.27Å; I204-V338 HydrophobicContact CG1-CB 4.16Å; I204-V338 HydrophobicContact CG1-CG1 4.04Å; I204-V338 HydrophobicContact CG1-CG2 4.13Å; I204-V338 HydrophobicContact CG2-CG2 4.31Å; V336-V338 HydrophobicContact CG1-CG2 3.84Å; V338-Y363 HydrophobicContact CB-CD1 4.46Å; V338-Y363 HydrophobicContact CG1-CD1 3.56Å; V338-Y363 HydrophobicContact CG1-CE1 4.27Å; V338-Y363 HydrophobicContact CG1-CG 4.19Å
339T94.5Very high93.3Very high3 Ų333.9 Ų33.92%0.01816%0.162CC..  trans-128.5149.5-162.3-1690000113.4T199 I337 F341 L346T199-T339 WeakPolarHBondContact OG1-CA 3.19Å; I337-T339 HydrophobicContact CG2-CG2 3.7Å; T339-F341 HydrophobicContact CG2-CB 4.45Å; T339-F341 WeakPolarHBondContact CG2-O 3.42Å; T339-F341 WeakPolarHBondContact OG1-CB 3.05Å; T339-F341 WeakPolarHBondContact OG1-CD2 3.38Å; T339-F341 PolarHBondContact OG1-N 3.06Å; T339-L346 HydrophobicContact CG2-CD2 3.93Å
340R93.4Very high94.4Very high179 Ų17929.6 Ų29.668%0.67515%0.146SC*.SBendtrans-83.9-13.3162.965.7-176.8173.9168.6-2113L172 T199L172-R340 HydrophobicContact CD2-CB 3.9Å; T199-R340 HydrophobicContact CG2-CG 4.13Å; T199-R340 PolarHBondContact OG1-N 3.07Å
341F94.1Very high95.3Very high68 Ų6826.3 Ų26.330%0.29813%0.125SC..SBendtrans-76.7163.8177.4-54.8-55.6000110.8T199 H226 T339T199-F341 HydrophobicContact CG2-CD2 4.13Å; T199-F341 HydrophobicContact CG2-CE2 3.73Å; T199-F341 HydrophobicContact CG2-CZ 4.39Å; H226-F341 HydrophobicContact CB-CE2 3.78Å; H226-F341 HydrophobicContact CB-CZ 3.84Å; H226-F341 AromaticContact CG-CZ 3.85Å; T339-F341 HydrophobicContact CG2-CB 4.45Å; T339-F341 WeakPolarHBondContact CG2-O 3.42Å; T339-F341 WeakPolarHBondContact OG1-CB 3.05Å; T339-F341 WeakPolarHBondContact OG1-CD2 3.38Å; T339-F341 PolarHBondContact OG1-N 3.06Å
342H95Very high95.5Very high110 Ų11023.3 Ų23.351%0.50911%0.105SC..  trans-63.2127172.1-163.9-95.7000109.8V344H342-V344 WeakPolarHBondContact CE1-CG2 3.44Å; H342-V344 PolarHBondContact O-N 3.02Å
343P96Very high95.4Very high0 Ų023.2 Ų23.20%010%0.104CC..Hα-helixtrans-81.4-16.2-166.233.4-38.3000113.8T347 V362 T364 P369 L370 L373P343-T347 WeakPolarHBondContact O-CB 3.18Å; P343-T347 PolarHBondContact O-N 3.26Å; P343-T347 PolarHBondContact O-OG1 2.86Å; P343-V362 HydrophobicContact CB-CG1 3.73Å; P343-T364 HydrophobicContact CB-CG2 4.06Å; P343-T364 HydrophobicContact CG-CG2 3.8Å; P343-P369 VanDerWaalsContact CD-CB 3.49Å; P343-P369 HydrophobicContact CG-CB 3.73Å; P343-L370 HydrophobicContact CG-CD2 4.3Å; P343-L373 HydrophobicContact CB-CD2 4.27Å; P343-L373 HydrophobicContact CG-CD2 4.5Å
344V95.9Very high95.3Very high8 Ų822.6 Ų22.65%0.04810%0.101CC..Hα-helixtrans-60.6-71.3-167.9172.80000112.5H342 L346 T347 L348 D372 L373 I376H342-V344 WeakPolarHBondContact CE1-CG2 3.44Å; H342-V344 PolarHBondContact O-N 3.02Å; V344-L346 PolarHBondContact O-N 2.82Å; V344-T347 PolarHBondContact O-N 2.88Å; V344-T347 VanDerWaalsContact O-N 3.11Å; V344-L348 HydrophobicContact CG1-CD1 3.85Å; V344-L348 WeakPolarHBondContact O-CG 3.36Å; V344-L348 PolarHBondContact O-N 3.02Å; V344-D372 HydrophobicContact CG2-CB 4.34Å; V344-L373 HydrophobicContact CG2-CB 3.95Å; V344-I376 HydrophobicContact CB-CD1 4.48Å; V344-I376 HydrophobicContact CG1-CD1 3.4Å; V344-I376 HydrophobicContact CG2-CD1 4.21Å
345D94.1Very high95.1Very high26 Ų2624.6 Ų24.614%0.13911%0.114CC..Hα-helixtrans-58.7-39.4-177.7-7614000111.5T347 L348 T349 L437 S438 S439D345-T347 PolarHBondContact O-N 3.17Å; D345-L348 PolarHBondContact O-N 3.39Å; D345-T349 VanDerWaalsContact O-CB 3.22Å; D345-T349 WeakPolarHBondContact O-CB 3.48Å; D345-T349 PolarHBondContact O-N 3.19Å; D345-T349 PolarHBondContact O-OG1 3.3Å; D345-L437 HydrophobicContact CB-CD2 3.8Å; D345-S438 VanDerWaalsContact CG-OG 3.27Å; D345-S438 PolarHBondContact OD1-N 2.92Å; D345-S438 PolarHBondContact OD1-OG 3.23Å; D345-S438 PolarHBondContact OD2-N 3.33Å; D345-S438 VanDerWaalsContact OD2-N 3.17Å; D345-S438 PolarHBondContact OD2-OG 3.1Å; D345-S439 WeakPolarHBondContact OD2-CB 3.44Å; D345-S439 PolarHBondContact OD2-N 3.41Å; D345-S439 VanDerWaalsContact OD2-N 3.1Å; D345-S439 PolarHBondContact OD2-OG 3.22Å
346L94.9Very high94.9Very high22 Ų2228.5 Ų28.512%0.11513%0.134CC..Hα-helixtrans-58.2-49176.7179.364.3000111.5C197 L252 I337 T339 V344 L350C197-L346 HydrophobicContact CB-CD2 4.41Å; L252-L346 HydrophobicContact CD1-CD1 4.11Å; L252-L346 HydrophobicContact CD2-CD1 3.4Å; L252-L346 VanDerWaalsContact CD2-CD1 3.4Å; L252-L346 HydrophobicContact CG-CD1 4.43Å; I337-L346 HydrophobicContact CD1-CG 4.34Å; I337-L346 HydrophobicContact CG2-CD2 3.7Å; I337-L346 HydrophobicContact CG2-CG 4.41Å; T339-L346 HydrophobicContact CG2-CD2 3.93Å; V344-L346 PolarHBondContact O-N 2.82Å; L346-L350 HydrophobicContact CD1-CD1 3.69Å; L346-L350 HydrophobicContact CD1-CG 4.15Å; L346-L350 HydrophobicContact CG-CD1 4.14Å; L346-L350 WeakPolarHBondContact O-CB 3.3Å; L346-L350 VanDerWaalsContact O-CG 3.22Å; L346-L350 WeakPolarHBondContact O-CG 3.47Å; L346-L350 PolarHBondContact O-N 2.96Å
347T96.5Very high94.7Very high0 Ų030.9 Ų30.90%016%0.159CC..Hα-helixtrans-68.5-45-178.7-58.60000110.9I337 P343 V344 D345 T349 L350 L351 V362 L373I337-T347 HydrophobicContact CD1-CG2 4.15Å; I337-T347 VanDerWaalsContact CD1-OG1 3.28Å; I337-T347 WeakPolarHBondContact CD1-OG1 3.32Å; P343-T347 WeakPolarHBondContact O-CB 3.18Å; P343-T347 PolarHBondContact O-N 3.26Å; P343-T347 PolarHBondContact O-OG1 2.86Å; V344-T347 PolarHBondContact O-N 2.88Å; V344-T347 VanDerWaalsContact O-N 3.11Å; D345-T347 PolarHBondContact O-N 3.17Å; T347-T349 VanDerWaalsContact C-N 3.32Å; T347-T349 PolarHBondContact O-N 3.27Å; T347-L350 PolarHBondContact O-N 3.41Å; T347-L351 HydrophobicContact CG2-CD1 3.82Å; T347-L351 HydrophobicContact CG2-CG 4.11Å; T347-L351 VanDerWaalsContact O-CB 3.31Å; T347-L351 WeakPolarHBondContact O-CB 3.5Å; T347-L351 WeakPolarHBondContact O-CG 3.33Å; T347-L351 PolarHBondContact O-N 3.25Å; T347-V362 HydrophobicContact CG2-CG2 3.83Å; T347-L373 HydrophobicContact CG2-CD1 4.08Å; T347-L373 HydrophobicContact CG2-CD2 3.98Å
348L95.1Very high94.7Very high0 Ų034.3 Ų34.30%017%0.172CC..Hα-helixtrans-60.8-42.2179.9-68.4174000112.4V344 D345 I376 L377 F431 L436 L437V344-L348 HydrophobicContact CG1-CD1 3.85Å; V344-L348 WeakPolarHBondContact O-CG 3.36Å; V344-L348 PolarHBondContact O-N 3.02Å; D345-L348 PolarHBondContact O-N 3.39Å; L348-I376 HydrophobicContact CD1-CG2 3.9Å; L348-I376 HydrophobicContact CD2-CG2 4.09Å; L348-L377 HydrophobicContact CD2-CD2 3.6Å; L348-F431 HydrophobicContact CB-CE2 3.86Å; L348-F431 HydrophobicContact CB-CZ 3.89Å; L348-F431 WeakPolarHBondContact O-CZ 2.89Å; L348-L436 HydrophobicContact CD1-CB 4.3Å; L348-L437 HydrophobicContact CB-CD2 4.17Å
349T93.8Very high94.7Very high20 Ų2034.7 Ų34.712%0.12317%0.174CC..Hα-helixtrans-66.8-48.3177.5-54.70000110.7V255 L259 D345 T347 L351 Q352 F353 L437V255-T349 HydrophobicContact CB-CG2 4.42Å; V255-T349 HydrophobicContact CG1-CG2 3.34Å; L259-T349 HydrophobicContact CD1-CG2 3.41Å; L259-T349 VanDerWaalsContact CD1-CG2 3.41Å; L259-T349 HydrophobicContact CG-CG2 4.49Å; D345-T349 VanDerWaalsContact O-CB 3.22Å; D345-T349 WeakPolarHBondContact O-CB 3.48Å; D345-T349 PolarHBondContact O-N 3.19Å; D345-T349 PolarHBondContact O-OG1 3.3Å; T347-T349 VanDerWaalsContact C-N 3.32Å; T347-T349 PolarHBondContact O-N 3.27Å; T349-L351 VanDerWaalsContact C-N 3.32Å; T349-L351 PolarHBondContact O-N 3.45Å; T349-Q352 WeakPolarHBondContact O-CB 3.43Å; T349-Q352 WeakPolarHBondContact O-CG 3.34Å; T349-Q352 PolarHBondContact O-N 3.13Å; T349-F353 WeakPolarHBondContact O-CD2 3.41Å; T349-F353 WeakPolarHBondContact O-CE2 3.49Å; T349-L437 WeakPolarHBondContact OG1-CD2 3.24Å
350L94.9Very high94.9Very high0 Ų034.5 Ų34.50%017%0.173CC..Hα-helixtrans-72.3-23.6-177.3-65.5-176.1000113.6C197 F224 V255 L335 I337 L346 T347 Q352 F353C197-L350 HydrophobicContact CB-CD1 3.93Å; F224-L350 HydrophobicContact CB-CD1 4.39Å; F224-L350 HydrophobicContact CD1-CD2 3.71Å; F224-L350 HydrophobicContact CD2-CD1 4.01Å; F224-L350 HydrophobicContact CD2-CD2 3.8Å; F224-L350 HydrophobicContact CE1-CD2 3.71Å; F224-L350 HydrophobicContact CE2-CD2 3.81Å; F224-L350 HydrophobicContact CG-CD1 4.21Å; F224-L350 HydrophobicContact CG-CD2 3.74Å; F224-L350 HydrophobicContact CZ-CD2 3.75Å; V255-L350 HydrophobicContact CG1-CD2 4.15Å; V255-L350 HydrophobicContact CG2-CD2 4.41Å; L335-L350 HydrophobicContact CD1-CB 3.83Å; L335-L350 HydrophobicContact CD1-CD1 4.19Å; L335-L350 HydrophobicContact CD2-CB 4Å; I337-L350 HydrophobicContact CD1-CD1 4.13Å; I337-L350 HydrophobicContact CG1-CD1 4.29Å; L346-L350 HydrophobicContact CD1-CD1 3.69Å; L346-L350 HydrophobicContact CD1-CG 4.15Å; L346-L350 HydrophobicContact CG-CD1 4.14Å; L346-L350 WeakPolarHBondContact O-CB 3.3Å; L346-L350 VanDerWaalsContact O-CG 3.22Å; L346-L350 WeakPolarHBondContact O-CG 3.47Å; L346-L350 PolarHBondContact O-N 2.96Å; T347-L350 PolarHBondContact O-N 3.41Å; L350-Q352 PolarHBondContact O-N 2.8Å; L350-F353 HydrophobicContact CD2-CD2 4.36Å; L350-F353 HydrophobicContact CD2-CE2 4.29Å; L350-F353 PolarHBondContact O-N 3.2Å
351L95Very high95.2Very high4 Ų426 Ų262%0.02114%0.141CC..Hα-helixtrans-63.5-24.2173.6-83.4169.8000113.1L335 T347 T349 F353 L354 F360 L377 I383 T421L335-L351 HydrophobicContact CD2-CD2 3.94Å; L335-L351 HydrophobicContact CD2-CG 3.98Å; T347-L351 HydrophobicContact CG2-CD1 3.82Å; T347-L351 HydrophobicContact CG2-CG 4.11Å; T347-L351 VanDerWaalsContact O-CB 3.31Å; T347-L351 WeakPolarHBondContact O-CB 3.5Å; T347-L351 WeakPolarHBondContact O-CG 3.33Å; T347-L351 PolarHBondContact O-N 3.25Å; T349-L351 VanDerWaalsContact C-N 3.32Å; T349-L351 PolarHBondContact O-N 3.45Å; L351-F353 PolarHBondContact O-N 3.16Å; L351-L354 HydrophobicContact CD2-CD2 4.14Å; L351-L354 PolarHBondContact O-N 3.26Å; L351-L354 VanDerWaalsContact O-N 3.09Å; L351-F360 HydrophobicContact CD2-CB 4.26Å; L351-F360 HydrophobicContact CD2-CD1 3.94Å; L351-F360 HydrophobicContact CD2-CG 4.07Å; L351-L377 HydrophobicContact CD1-CD2 3.72Å; L351-I383 HydrophobicContact CD1-CD1 3.95Å; L351-T421 HydrophobicContact CD2-CG2 4.15Å
352Q91.7Very high95.4Very high18 Ų1822.8 Ų22.88%0.08413%0.127CC..THydrogen-bonded Turntrans-65.7-17.9177.2-59.1-55.9-39.800113.2L259 T349 L350 L426 F431L259-Q352 HydrophobicContact CD1-CG 4.37Å; L259-Q352 HydrophobicContact CD2-CB 3.65Å; L259-Q352 HydrophobicContact CD2-CG 4.27Å; T349-Q352 WeakPolarHBondContact O-CB 3.43Å; T349-Q352 WeakPolarHBondContact O-CG 3.34Å; T349-Q352 PolarHBondContact O-N 3.13Å; L350-Q352 PolarHBondContact O-N 2.8Å; Q352-L426 PolarHBondContact OE1-O 3.41Å; Q352-F431 HydrophobicContact CG-CD1 3.51Å; Q352-F431 HydrophobicContact CG-CE1 3.72Å; Q352-F431 HydrophobicContact CG-CG 4.03Å; Q352-F431 HydrophobicContact CG-CZ 4.41Å; Q352-F431 VanDerWaalsContact NE2-CD2 3.3Å
353F91.7Very high95.5Very high3 Ų317.6 Ų17.61%0.01310%0.103CC..THydrogen-bonded Turntrans-94.2-7.9177.3-55.5-92.5000112.5L195 V255 I258 L259 I324 F325 T349 L350 L351 P355L195-F353 HydrophobicContact CD1-CB 3.58Å; V255-F353 HydrophobicContact CG1-CE2 3.61Å; V255-F353 HydrophobicContact CG1-CZ 3.77Å; I258-F353 HydrophobicContact CG2-CE1 3.79Å; I258-F353 HydrophobicContact CG2-CZ 4.14Å; L259-F353 HydrophobicContact CD1-CE2 4.37Å; L259-F353 HydrophobicContact CD2-CD2 4.33Å; L259-F353 HydrophobicContact CD2-CE1 3.98Å; L259-F353 HydrophobicContact CD2-CE2 3.57Å; L259-F353 HydrophobicContact CD2-CZ 3.35Å; L259-F353 HydrophobicContact CG-CE2 3.96Å; L259-F353 HydrophobicContact CG-CZ 3.68Å; I324-F353 HydrophobicContact CD1-CD1 4.19Å; I324-F353 HydrophobicContact CD1-CE1 4Å; I324-F353 HydrophobicContact CG2-CB 4.44Å; I324-F353 HydrophobicContact CG2-CD1 3.67Å; I324-F353 HydrophobicContact CG2-CE1 4.42Å; I324-F353 HydrophobicContact CG2-CG 4.43Å; F325-F353 HydrophobicContact CD2-CD1 4.27Å; F325-F353 HydrophobicContact CD2-CE1 4.46Å; F325-F353 HydrophobicContact CE1-CB 4.42Å; F325-F353 HydrophobicContact CE1-CD1 4.09Å; F325-F353 AromaticContact CE2-CD1 3.16Å; F325-F353 HydrophobicContact CE2-CD1 3.16Å; F325-F353 AromaticContact CE2-CE1 3.38Å; F325-F353 HydrophobicContact CE2-CE1 3.38Å; F325-F353 HydrophobicContact CE2-CG 4.33Å; F325-F353 HydrophobicContact CZ-CB 4.02Å; F325-F353 AromaticContact CZ-CD1 3.06Å; F325-F353 HydrophobicContact CZ-CD1 3.06Å; F325-F353 AromaticContact CZ-CE1 3.74Å; F325-F353 HydrophobicContact CZ-CE1 3.74Å; F325-F353 AromaticContact CZ-CG 3.85Å; F325-F353 HydrophobicContact CZ-CG 3.85Å; T349-F353 WeakPolarHBondContact O-CD2 3.41Å; T349-F353 WeakPolarHBondContact O-CE2 3.49Å; L350-F353 HydrophobicContact CD2-CD2 4.36Å; L350-F353 HydrophobicContact CD2-CE2 4.29Å; L350-F353 PolarHBondContact O-N 3.2Å; L351-F353 PolarHBondContact O-N 3.16Å; F353-P355 WeakPolarHBondContact O-CD 3.42Å
354L94.2Very high95.5Very high13 Ų1318 Ų187%0.06811%0.105CC..SBendtrans-97.1117.7-175.4-171.767.2000110.5L195 P332 L335 L351 R358 F360 T421L195-L354 HydrophobicContact CD1-CB 4.4Å; P332-L354 HydrophobicContact CB-CD1 4.41Å; L335-L354 HydrophobicContact CB-CD1 4.33Å; L335-L354 HydrophobicContact CB-CD2 3.86Å; L351-L354 HydrophobicContact CD2-CD2 4.14Å; L351-L354 PolarHBondContact O-N 3.26Å; L351-L354 VanDerWaalsContact O-N 3.09Å; L354-R358 HydrophobicContact CD1-CB 3.63Å; L354-R358 HydrophobicContact CD1-CG 4.24Å; L354-R358 HydrophobicContact CD2-CB 4.13Å; L354-R358 HydrophobicContact CG-CB 3.79Å; L354-F360 HydrophobicContact CD2-CB 4.03Å; L354-T421 HydrophobicContact CB-CG2 4.46Å; L354-T421 HydrophobicContact CD2-CG2 3.7Å; L354-T421 HydrophobicContact CG-CG2 4.12Å
355P92.3Very high95.3Very high43 Ų4321.1 Ų21.128%0.27912%0.119SC..PPolyproline II helixtrans-61.1166.6177-22.632.9000113.5P332 F353 R358 T421P332-P355 WeakPolarHBondContact O-CD 3.25Å; F353-P355 WeakPolarHBondContact O-CD 3.42Å; P355-R358 HydrophobicContact CB-CG 4.16Å; P355-R358 WeakPolarHBondContact O-CB 3.27Å; P355-R358 WeakPolarHBondContact O-CG 3.46Å; P355-T421 WeakPolarHBondContact O-CB 3.48Å; P355-T421 PolarHBondContact O-OG1 3.44Å
356I94.6Very high95.3Very high81 Ų8127 Ų2742%0.41514%0.14SC..THydrogen-bonded Turntrans-62.3147.8173-64.6158.9000111R358 T421 E423 V425I356-R358 VanDerWaalsContact C-N 3.32Å; I356-T421 WeakPolarHBondContact CA-OG1 3.47Å; I356-E423 HydrophobicContact CD1-CG 3.69Å; I356-V425 HydrophobicContact CD1-CG2 3.66Å; I356-V425 HydrophobicContact CG1-CG2 3.42Å; I356-V425 VanDerWaalsContact CG1-CG2 3.42Å
357G95.8Very high95.3Very high51 Ų5128.5 Ų28.553%0.52615%0.148SC..THydrogen-bonded Turntrans79.611.7176.700000114.1T421G357-T421 WeakPolarHBondContact CA-O 3.34Å; G357-T421 PolarHBondContact N-O 3.18Å; G357-T421 PolarHBondContact N-OG1 3.5Å
358R97.3Very high95.2Very high72 Ų7234.2 Ų34.227%0.27218%0.175SC..  trans-109.5141.8-174-55.8-53.7-176.2153.48111.9D333 L354 P355 I356 Y420 T421D333-R358 IonicContact OD1-CZ 3.69Å; D333-R358 VanDerWaalsContact OD1-CZ 3.32Å; D333-R358 IonicContact OD1-NH1 3.71Å; D333-R358 PolarHBondContact OD1-NH1 2.94Å; D333-R358 IonicContact OD1-NH2 2.72Å; D333-R358 PolarHBondContact OD1-NH2 2.72Å; L354-R358 HydrophobicContact CD1-CB 3.63Å; L354-R358 HydrophobicContact CD1-CG 4.24Å; L354-R358 HydrophobicContact CD2-CB 4.13Å; L354-R358 HydrophobicContact CG-CB 3.79Å; P355-R358 HydrophobicContact CB-CG 4.16Å; P355-R358 WeakPolarHBondContact O-CB 3.27Å; P355-R358 WeakPolarHBondContact O-CG 3.46Å; I356-R358 VanDerWaalsContact C-N 3.32Å; R358-Y420 WeakPolarHBondContact O-CA 3.18Å; R358-T421 PolarHBondContact N-OG1 3.12Å; R358-T421 PolarHBondContact O-N 3.13Å; R358-T421 PolarHBondContact O-OG1 3.45Å
359P98.4Very high95.3Very high7 Ų735.5 Ų35.55%0.04518%0.183CC..EExtended strand (participates in β ladder)trans-75.1147.8176.729.9-35.9000112.3Y185 A186 N187 D333 S334 L335 G419 Y420Y185-P359 VanDerWaalsContact O-CB 3.29Å; Y185-P359 WeakPolarHBondContact O-CB 3.47Å; A186-P359 WeakPolarHBondContact O-CG 3.21Å; N187-P359 HydrophobicContact CB-CG 4.16Å; D333-P359 WeakPolarHBondContact O-CD 3.23Å; S334-P359 VanDerWaalsContact CA-O 3.3Å; S334-P359 WeakPolarHBondContact CA-O 3.5Å; L335-P359 PolarHBondContact N-O 2.69Å; L335-P359 VanDerWaalsContact N-O 3.14Å; P359-G419 WeakPolarHBondContact CA-O 3.31Å; P359-Y420 HydrophobicContact CB-CD1 4.06Å; P359-Y420 HydrophobicContact CB-CE1 3.77Å; P359-Y420 HydrophobicContact CG-CE1 4.36Å
360F98.6Very high95.5Very high0 Ų034.5 Ų34.50%018%0.177CC..EExtended strand (participates in β ladder)trans-125.6151.3161.771.3-88.4000111.2L335 L351 L354 V362 L377 I383 L386 T418 G419L335-F360 HydrophobicContact CB-CB 3.87Å; L335-F360 HydrophobicContact CD2-CB 4.31Å; L335-F360 HydrophobicContact CG-CB 4.34Å; L335-F360 CarbonylContact O-C 3.57Å; L335-F360 WeakPolarHBondContact O-CA 3.42Å; L351-F360 HydrophobicContact CD2-CB 4.26Å; L351-F360 HydrophobicContact CD2-CD1 3.94Å; L351-F360 HydrophobicContact CD2-CG 4.07Å; L354-F360 HydrophobicContact CD2-CB 4.03Å; F360-V362 HydrophobicContact CD2-CG2 4.02Å; F360-V362 HydrophobicContact CE2-CG2 4.37Å; F360-L377 HydrophobicContact CE2-CD1 3.93Å; F360-L377 HydrophobicContact CZ-CD1 3.74Å; F360-I383 HydrophobicContact CE1-CD1 3.82Å; F360-I383 HydrophobicContact CE1-CG1 4.21Å; F360-I383 HydrophobicContact CE1-CG2 3.6Å; F360-I383 HydrophobicContact CZ-CD1 4.01Å; F360-I383 HydrophobicContact CZ-CG2 3.92Å; F360-L386 HydrophobicContact CZ-CD2 3.75Å; F360-T418 WeakPolarHBondContact O-CA 3.46Å; F360-G419 VanDerWaalsContact CD1-O 3.31Å; F360-G419 WeakPolarHBondContact CD1-O 3.45Å; F360-G419 VanDerWaalsContact CE1-C 3.43Å; F360-G419 VanDerWaalsContact CE1-CA 3.5Å; F360-G419 PolarHBondContact N-O 2.69Å; F360-G419 PolarHBondContact O-N 2.93Å
361V98.6Very high95.6Very high1 Ų137.3 Ų37.31%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-135.7125.4177.7-177.20000109.4I182 A186 L335 V336 I337 L416 T418I182-V361 HydrophobicContact CB-CG1 4.37Å; I182-V361 HydrophobicContact CG1-CG1 4.09Å; I182-V361 HydrophobicContact CG2-CG1 4.22Å; A186-V361 HydrophobicContact CB-CG2 3.83Å; L335-V361 PolarHBondContact O-N 3.31Å; V336-V361 WeakPolarHBondContact CA-O 3.25Å; I337-V361 PolarHBondContact N-O 2.71Å; V361-L416 HydrophobicContact CG1-CD2 4.12Å; V361-T418 HydrophobicContact CB-CG2 4.4Å; V361-T418 HydrophobicContact CG1-CG2 4.07Å; V361-T418 HydrophobicContact CG2-CG2 4.01Å
362V98.5Very high95.7Very high0 Ų040.9 Ų40.90%021%0.213CC..EExtended strand (participates in β ladder)trans-118.9123.8176-171.30000109.3I337 P343 T347 F360 L370 L373 L416 L417I337-V362 HydrophobicContact CB-CG1 4.18Å; I337-V362 HydrophobicContact CB-CG2 4.34Å; I337-V362 HydrophobicContact CD1-CG2 4.41Å; I337-V362 HydrophobicContact CG2-CG1 4.1Å; I337-V362 CarbonylContact O-C 3.59Å; I337-V362 WeakPolarHBondContact O-CA 3.4Å; P343-V362 HydrophobicContact CB-CG1 3.73Å; T347-V362 HydrophobicContact CG2-CG2 3.83Å; F360-V362 HydrophobicContact CD2-CG2 4.02Å; F360-V362 HydrophobicContact CE2-CG2 4.37Å; V362-L370 HydrophobicContact CB-CD2 4.15Å; V362-L370 HydrophobicContact CG1-CD2 3.75Å; V362-L373 HydrophobicContact CB-CD2 4.31Å; V362-L373 HydrophobicContact CG1-CD2 4.07Å; V362-L373 HydrophobicContact CG2-CD2 4.06Å; V362-L416 CarbonylContact O-C 3.55Å; V362-L416 WeakPolarHBondContact O-CA 3.33Å; V362-L417 HydrophobicContact CB-CB 4.41Å; V362-L417 PolarHBondContact N-O 2.94Å; V362-L417 PolarHBondContact O-N 3.46Å
363Y97.8Very high95.9Very high1 Ų140 Ų400%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-107.5137.7174168.8-94.9000111.2L172 L174 T178 I182 I337 V338 Q365 N413 Y415 L416L172-Y363 HydrophobicContact CB-CE1 4.02Å; L172-Y363 HydrophobicContact CD1-CD1 4.33Å; L172-Y363 HydrophobicContact CD1-CE1 3.94Å; L172-Y363 PolarHBondContact O-OH 2.86Å; L172-Y363 VanDerWaalsContact O-OH 3.07Å; L174-Y363 HydrophobicContact CD1-CD1 4.22Å; L174-Y363 HydrophobicContact CD1-CE1 4.01Å; L174-Y363 HydrophobicContact CD2-CD1 4.26Å; L174-Y363 HydrophobicContact CD2-CD2 3.7Å; L174-Y363 HydrophobicContact CD2-CE1 3.87Å; L174-Y363 HydrophobicContact CD2-CE2 3.25Å; L174-Y363 HydrophobicContact CD2-CG 4.17Å; L174-Y363 HydrophobicContact CG-CD1 4.42Å; L174-Y363 HydrophobicContact CG-CE1 3.81Å; L174-Y363 HydrophobicContact CG-CE2 4.09Å; T178-Y363 HydrophobicContact CG2-CD2 4.21Å; T178-Y363 HydrophobicContact CG2-CE2 4.29Å; I182-Y363 HydrophobicContact CD1-CG 4.48Å; I337-Y363 PolarHBondContact O-N 3.49Å; V338-Y363 HydrophobicContact CB-CD1 4.46Å; V338-Y363 HydrophobicContact CG1-CD1 3.56Å; V338-Y363 HydrophobicContact CG1-CE1 4.27Å; V338-Y363 HydrophobicContact CG1-CG 4.19Å; Y363-Q365 HydrophobicContact CE1-CG 4.45Å; Y363-N413 VanDerWaalsContact CE2-O 3.32Å; Y363-N413 WeakPolarHBondContact CE2-O 3.44Å; Y363-N413 PolarHBondContact OH-O 2.83Å; Y363-Y415 WeakPolarHBondContact CA-O 3.39Å; Y363-Y415 WeakPolarHBondContact CD2-O 2.97Å; Y363-L416 HydrophobicContact CD2-CD2 3.79Å; Y363-L416 HydrophobicContact CG-CD2 4.19Å
364T95.5Very high96.2Very high7 Ų743.2 Ų43.24%0.04322%0.222CC..EExtended strand (participates in β ladder)trans-141155.1165.7570000110.6P343 Y366 L370 G414 Y415P343-T364 HydrophobicContact CB-CG2 4.06Å; P343-T364 HydrophobicContact CG-CG2 3.8Å; T364-Y366 VanDerWaalsContact C-N 3.26Å; T364-Y366 PolarHBondContact O-N 2.91Å; T364-Y366 PolarHBondContact OG1-O 3.01Å; T364-L370 HydrophobicContact CG2-CD2 3.89Å; T364-L370 HydrophobicContact CG2-CG 4.19Å; T364-L370 WeakPolarHBondContact OG1-CD1 3.32Å; T364-L370 WeakPolarHBondContact OG1-CG 3.05Å; T364-G414 WeakPolarHBondContact O-CA 3.14Å; T364-Y415 PolarHBondContact N-O 2.41Å; T364-Y415 PolarHBondContact O-N 3.48Å
365Q92.5Very high96.3Very high74 Ų7446 Ų4635%0.34624%0.236SC..SBendtrans-67.6-27.8174.2-70.6-179-27.200112.9L172 Y363L172-Q365 HydrophobicContact CB-CG 4.33Å; L172-Q365 PolarHBondContact O-NE2 3.28Å; Y363-Q365 HydrophobicContact CE1-CG 4.45Å
366Y92.9Very high96.4Very high149 Ų14945.1 Ų45.158%0.58423%0.229SC*.SBendtrans-118144.7-174.9-52-73.9000110.6T364 P369T364-Y366 VanDerWaalsContact C-N 3.26Å; T364-Y366 PolarHBondContact O-N 2.91Å; T364-Y366 PolarHBondContact OG1-O 3.01Å; Y366-P369 WeakPolarHBondContact O-CD 3.42Å
367I94.7Very high96.4Very high55 Ų5541.3 Ų41.328%0.28221%0.21SC..SBendtrans-75.7-33.2-175.3-167.4171.5000112.6L370 V371 L388 Y415I367-L370 WeakPolarHBondContact O-CB 3.46Å; I367-L370 PolarHBondContact O-N 3.25Å; I367-V371 HydrophobicContact CG1-CG2 4.13Å; I367-V371 PolarHBondContact O-N 2.98Å; I367-L388 HydrophobicContact CD1-CD2 3.93Å; I367-L388 HydrophobicContact CG1-CD2 3.82Å; I367-L388 HydrophobicContact CG1-CG 4.43Å; I367-Y415 HydrophobicContact CB-CD1 3.9Å; I367-Y415 HydrophobicContact CB-CD2 3.82Å; I367-Y415 HydrophobicContact CB-CE1 3.91Å; I367-Y415 HydrophobicContact CB-CE2 3.84Å; I367-Y415 HydrophobicContact CB-CG 3.85Å; I367-Y415 HydrophobicContact CD1-CD1 3.93Å; I367-Y415 HydrophobicContact CD1-CE1 3.88Å; I367-Y415 HydrophobicContact CG1-CD1 3.94Å; I367-Y415 HydrophobicContact CG1-CE1 4.18Å; I367-Y415 HydrophobicContact CG1-CG 4.17Å
368Q96.1Very high96.3Very high120 Ų12045.9 Ų45.956%0.56122%0.215SC*.Hα-helixtrans-57.2-47.7-171.4-64.577.6300112.9L370 V371 D372Q368-L370 PolarHBondContact O-N 2.67Å; Q368-V371 WeakPolarHBondContact O-CB 3.47Å; Q368-V371 PolarHBondContact O-N 3.21Å; Q368-D372 PolarHBondContact O-N 3.35Å; Q368-D372 VanDerWaalsContact O-N 3.1Å
369P96.3Very high96Very high26 Ų2651.5 Ų51.517%0.16924%0.236CC..Hα-helixtrans-62.6-27.5177.6-21.833.8000114P343 Y366 L373P343-P369 VanDerWaalsContact CD-CB 3.49Å; P343-P369 HydrophobicContact CG-CB 3.73Å; Y366-P369 WeakPolarHBondContact O-CD 3.42Å; P369-L373 WeakPolarHBondContact O-CB 3.17Å; P369-L373 PolarHBondContact O-N 3.2Å; P369-L373 VanDerWaalsContact O-N 3.09Å
370L97.5Very high95.6Very high0 Ų052.7 Ų52.70%024%0.24CC..Hα-helixtrans-78.5-28.7174.9-63.5-179.1000112.5P343 V362 T364 I367 Q368 L373 Y374 L388 Y415 L417P343-L370 HydrophobicContact CG-CD2 4.3Å; V362-L370 HydrophobicContact CB-CD2 4.15Å; V362-L370 HydrophobicContact CG1-CD2 3.75Å; T364-L370 HydrophobicContact CG2-CD2 3.89Å; T364-L370 HydrophobicContact CG2-CG 4.19Å; T364-L370 WeakPolarHBondContact OG1-CD1 3.32Å; T364-L370 WeakPolarHBondContact OG1-CG 3.05Å; I367-L370 WeakPolarHBondContact O-CB 3.46Å; I367-L370 PolarHBondContact O-N 3.25Å; Q368-L370 PolarHBondContact O-N 2.67Å; L370-L373 HydrophobicContact CD2-CD2 4.38Å; L370-Y374 WeakPolarHBondContact O-CB 3.47Å; L370-Y374 PolarHBondContact O-N 3.07Å; L370-L388 HydrophobicContact CB-CD1 3.61Å; L370-L388 HydrophobicContact CD1-CD1 3.68Å; L370-L388 HydrophobicContact CG-CD1 4.32Å; L370-Y415 WeakPolarHBondContact CD1-O 3.43Å; L370-L417 HydrophobicContact CB-CB 4.36Å; L370-L417 HydrophobicContact CD1-CB 4.2Å; L370-L417 HydrophobicContact CD2-CB 3.91Å; L370-L417 HydrophobicContact CG-CB 4.38Å
371V97.6Very high95.1Very high58 Ų5853.9 Ų53.935%0.35225%0.252SS..Hα-helixtrans-66.2-43.1172.2174.70000109.8I367 Q368 Y374 N375 L388I367-V371 HydrophobicContact CG1-CG2 4.13Å; I367-V371 PolarHBondContact O-N 2.98Å; Q368-V371 WeakPolarHBondContact O-CB 3.47Å; Q368-V371 PolarHBondContact O-N 3.21Å; V371-Y374 WeakPolarHBondContact O-CB 3.39Å; V371-Y374 PolarHBondContact O-N 3.45Å; V371-N375 PolarHBondContact O-N 2.79Å; V371-N375 PolarHBondContact O-ND2 3.2Å; V371-N375 VanDerWaalsContact O-ND2 3.16Å; V371-L388 HydrophobicContact CG2-CD2 3.91Å
372D95.9Very high94.9Very high80 Ų8054.1 Ų54.143%0.42826%0.255SS..Hα-helixtrans-61.4-48.9175.3-65.5-25.8000111.1V344 Q368 Y374 N375 I376V344-D372 HydrophobicContact CG2-CB 4.34Å; Q368-D372 PolarHBondContact O-N 3.35Å; Q368-D372 VanDerWaalsContact O-N 3.1Å; D372-Y374 PolarHBondContact O-N 3.39Å; D372-N375 PolarHBondContact O-N 2.72Å; D372-I376 WeakPolarHBondContact O-CG1 3.49Å; D372-I376 PolarHBondContact O-N 3.21Å
373L97.1Very high94.8Very high0 Ų055.2 Ų55.20%026%0.26CS..Hα-helixtrans-59-46.2174.9178.357.3000111.7P343 V344 T347 V362 P369 L370 N375 I376 L377 L417P343-L373 HydrophobicContact CB-CD2 4.27Å; P343-L373 HydrophobicContact CG-CD2 4.5Å; V344-L373 HydrophobicContact CG2-CB 3.95Å; T347-L373 HydrophobicContact CG2-CD1 4.08Å; T347-L373 HydrophobicContact CG2-CD2 3.98Å; V362-L373 HydrophobicContact CB-CD2 4.31Å; V362-L373 HydrophobicContact CG1-CD2 4.07Å; V362-L373 HydrophobicContact CG2-CD2 4.06Å; P369-L373 WeakPolarHBondContact O-CB 3.17Å; P369-L373 PolarHBondContact O-N 3.2Å; P369-L373 VanDerWaalsContact O-N 3.09Å; L370-L373 HydrophobicContact CD2-CD2 4.38Å; L373-N375 VanDerWaalsContact C-N 3.31Å; L373-N375 PolarHBondContact O-N 2.78Å; L373-I376 PolarHBondContact O-N 3.38Å; L373-I376 VanDerWaalsContact O-N 3.17Å; L373-L377 HydrophobicContact CD1-CD1 3.87Å; L373-L377 HydrophobicContact CD1-CD2 3.91Å; L373-L377 HydrophobicContact CD1-CG 3.68Å; L373-L377 HydrophobicContact CG-CD1 3.91Å; L373-L377 HydrophobicContact CG-CG 4.14Å; L373-L377 WeakPolarHBondContact O-CB 3.41Å; L373-L377 VanDerWaalsContact O-CG 3.28Å; L373-L377 WeakPolarHBondContact O-CG 3.37Å; L373-L377 PolarHBondContact O-N 2.63Å; L373-L417 HydrophobicContact CB-CD2 4.1Å; L373-L417 HydrophobicContact CD2-CD2 3.68Å; L373-L417 HydrophobicContact CG-CD2 3.62Å
374Y97.7Very high94.7Very high70 Ų7058.3 Ų58.328%0.27528%0.28SS..Hα-helixtrans-54.4-47.9177.9179.6-76.9000111.3L370 V371 D372 L377 K378 L386 L417L370-Y374 WeakPolarHBondContact O-CB 3.47Å; L370-Y374 PolarHBondContact O-N 3.07Å; V371-Y374 WeakPolarHBondContact O-CB 3.39Å; V371-Y374 PolarHBondContact O-N 3.45Å; D372-Y374 PolarHBondContact O-N 3.39Å; Y374-L377 PolarHBondContact O-N 2.63Å; Y374-K378 HydrophobicContact CE1-CD 4.19Å; Y374-K378 WeakPolarHBondContact O-CB 3.42Å; Y374-K378 PolarHBondContact O-N 3.47Å; Y374-L386 HydrophobicContact CD2-CB 4Å; Y374-L386 HydrophobicContact CD2-CD1 4.42Å; Y374-L386 HydrophobicContact CE2-CB 3.52Å; Y374-L386 HydrophobicContact CE2-CD1 4.36Å; Y374-L417 HydrophobicContact CD2-CD1 3.73Å
375N96Very high94.8Very high71 Ų7163.8 Ų63.838%0.3830%0.304SS..Hα-helixtrans-65.3-40.2179.9-71.6-35.1000111.9V371 D372 L373 K378 R379V371-N375 PolarHBondContact O-N 2.79Å; V371-N375 PolarHBondContact O-ND2 3.2Å; V371-N375 VanDerWaalsContact O-ND2 3.16Å; D372-N375 PolarHBondContact O-N 2.72Å; L373-N375 VanDerWaalsContact C-N 3.31Å; L373-N375 PolarHBondContact O-N 2.78Å; N375-K378 PolarHBondContact O-N 2.82Å; N375-R379 WeakPolarHBondContact O-CG 3.33Å; N375-R379 PolarHBondContact O-N 3.21Å; N375-R379 VanDerWaalsContact O-N 3.1Å
376I94.4Very high95Very high25 Ų2561.8 Ų61.813%0.12830%0.296CS..Hα-helixtrans-66.5-45.7177-66.4164.5000111.2V344 L348 D372 L373 K378 R379 R380 L436V344-I376 HydrophobicContact CB-CD1 4.48Å; V344-I376 HydrophobicContact CG1-CD1 3.4Å; V344-I376 HydrophobicContact CG2-CD1 4.21Å; L348-I376 HydrophobicContact CD1-CG2 3.9Å; L348-I376 HydrophobicContact CD2-CG2 4.09Å; D372-I376 WeakPolarHBondContact O-CG1 3.49Å; D372-I376 PolarHBondContact O-N 3.21Å; L373-I376 PolarHBondContact O-N 3.38Å; L373-I376 VanDerWaalsContact O-N 3.17Å; I376-K378 VanDerWaalsContact C-N 3.29Å; I376-K378 PolarHBondContact O-N 3.47Å; I376-R379 PolarHBondContact O-N 2.77Å; I376-R379 VanDerWaalsContact O-N 3.13Å; I376-R380 WeakPolarHBondContact O-CB 3.36Å; I376-R380 PolarHBondContact O-N 3.1Å; I376-L436 HydrophobicContact CG2-CD2 4.11Å
377L95.1Very high95.3Very high1 Ų160.5 Ų60.51%0.00529%0.29CS..Hα-helixtrans-61.8-38.2177.5-66.5-177.9000111.7L348 L351 F360 L373 Y374 R379 R380 G381 I383 L386 L417L348-L377 HydrophobicContact CD2-CD2 3.6Å; L351-L377 HydrophobicContact CD1-CD2 3.72Å; F360-L377 HydrophobicContact CE2-CD1 3.93Å; F360-L377 HydrophobicContact CZ-CD1 3.74Å; L373-L377 HydrophobicContact CD1-CD1 3.87Å; L373-L377 HydrophobicContact CD1-CD2 3.91Å; L373-L377 HydrophobicContact CD1-CG 3.68Å; L373-L377 HydrophobicContact CG-CD1 3.91Å; L373-L377 HydrophobicContact CG-CG 4.14Å; L373-L377 WeakPolarHBondContact O-CB 3.41Å; L373-L377 VanDerWaalsContact O-CG 3.28Å; L373-L377 WeakPolarHBondContact O-CG 3.37Å; L373-L377 PolarHBondContact O-N 2.63Å; Y374-L377 PolarHBondContact O-N 2.63Å; L377-R379 VanDerWaalsContact C-N 3.34Å; L377-R379 PolarHBondContact O-N 2.94Å; L377-R380 PolarHBondContact O-N 3.33Å; L377-G381 PolarHBondContact O-N 2.94Å; L377-G381 VanDerWaalsContact O-N 3.1Å; L377-I383 HydrophobicContact CB-CD1 3.97Å; L377-I383 HydrophobicContact CD1-CD1 3.88Å; L377-I383 HydrophobicContact CD2-CD1 3.56Å; L377-I383 HydrophobicContact CG-CD1 3.97Å; L377-L386 HydrophobicContact CB-CD1 3.99Å; L377-L386 HydrophobicContact CB-CD2 4.32Å; L377-L386 HydrophobicContact CD1-CD2 3.95Å; L377-L417 HydrophobicContact CD1-CD2 4.06Å
378K93.3Very high95.4Very high147 Ų14760.6 Ų60.664%0.63929%0.291SS*.Hα-helixtrans-64.3-36.5174.9-171174.7-179.3-179.70112.7Y374 N375 I376 L386Y374-K378 HydrophobicContact CE1-CD 4.19Å; Y374-K378 WeakPolarHBondContact O-CB 3.42Å; Y374-K378 PolarHBondContact O-N 3.47Å; N375-K378 PolarHBondContact O-N 2.82Å; I376-K378 VanDerWaalsContact C-N 3.29Å; I376-K378 PolarHBondContact O-N 3.47Å; K378-L386 HydrophobicContact CB-CD1 4.39Å
379R91.2Very high95.4Very high189 Ų18955.6 Ų55.671%0.71327%0.269SS*.Hα-helixtrans-75.2-40.8175.5-71.9-173.5-64-1342.4112.9N375 I376 L377 G381N375-R379 WeakPolarHBondContact O-CG 3.33Å; N375-R379 PolarHBondContact O-N 3.21Å; N375-R379 VanDerWaalsContact O-N 3.1Å; I376-R379 PolarHBondContact O-N 2.77Å; I376-R379 VanDerWaalsContact O-N 3.13Å; L377-R379 VanDerWaalsContact C-N 3.34Å; L377-R379 PolarHBondContact O-N 2.94Å; R379-G381 VanDerWaalsContact C-N 3.28Å; R379-G381 PolarHBondContact O-N 3.35Å
380R89.6Confident95.2Very high33 Ų3356.9 Ų56.913%0.12527%0.274CS..Hα-helixtrans-61.1-36.1178175.4-179.3167.3-92.58.3112I376 L377 L426 L436I376-R380 WeakPolarHBondContact O-CB 3.36Å; I376-R380 PolarHBondContact O-N 3.1Å; L377-R380 PolarHBondContact O-N 3.33Å; R380-L426 HydrophobicContact CG-CD1 3.84Å; R380-L436 HydrophobicContact CB-CD1 4.03Å; R380-L436 HydrophobicContact CG-CD1 3.96Å
381G89.7Confident94.7Very high25 Ų2557.4 Ų57.426%0.25828%0.277SS..  trans74.7-169.3-170.700000112.5L377 R379 I383L377-G381 PolarHBondContact O-N 2.94Å; L377-G381 VanDerWaalsContact O-N 3.1Å; R379-G381 VanDerWaalsContact C-N 3.28Å; R379-G381 PolarHBondContact O-N 3.35Å; G381-I383 PolarHBondContact O-N 3.1Å
382G93.1Very high94.3Very high6 Ų663.8 Ų63.86%0.06230%0.295CS..SBendtrans68.915.6-17900000114.7I422 P424G382-I422 VanDerWaalsContact C-CG1 3.5Å; G382-I422 CarbonylContact C-O 3.58Å; G382-I422 WeakPolarHBondContact CA-O 3.21Å; G382-I422 PolarHBondContact O-N 3.46Å; G382-I422 VanDerWaalsContact O-O 3.07Å; G382-P424 WeakPolarHBondContact CA-O 3.38Å
383I96.3Very high94Very high22 Ų2263.2 Ų63.211%0.11329%0.289CS..EExtended strand (participates in β ladder)trans-138.7136.1179.9-62.4175.8000110.3L351 F360 L377 G381 L386 Y420L351-I383 HydrophobicContact CD1-CD1 3.95Å; F360-I383 HydrophobicContact CE1-CD1 3.82Å; F360-I383 HydrophobicContact CE1-CG1 4.21Å; F360-I383 HydrophobicContact CE1-CG2 3.6Å; F360-I383 HydrophobicContact CZ-CD1 4.01Å; F360-I383 HydrophobicContact CZ-CG2 3.92Å; L377-I383 HydrophobicContact CB-CD1 3.97Å; L377-I383 HydrophobicContact CD1-CD1 3.88Å; L377-I383 HydrophobicContact CD2-CD1 3.56Å; L377-I383 HydrophobicContact CG-CD1 3.97Å; G381-I383 PolarHBondContact O-N 3.1Å; I383-L386 HydrophobicContact CG2-CD1 4.45Å; I383-L386 HydrophobicContact CG2-CD2 3.51Å; I383-L386 HydrophobicContact CG2-CG 3.75Å; I383-Y420 VanDerWaalsContact CA-O 3.3Å; I383-Y420 WeakPolarHBondContact CA-O 3.18Å
384T96.7Very high93.7Very high67 Ų6771.3 Ų71.341%0.41132%0.32SS..EExtended strand (participates in β ladder)trans-120.4165.8173.3-165.70000111.9L386 G419 Y420 I422T384-L386 PolarHBondContact O-N 3.21Å; T384-G419 WeakPolarHBondContact O-CA 3.18Å; T384-Y420 PolarHBondContact N-O 3.1Å; T384-Y420 PolarHBondContact O-N 3.21Å; T384-I422 HydrophobicContact CG2-CD1 4.5Å; T384-I422 HydrophobicContact CG2-CG2 3.58Å
385H97Very high93.3Very high121 Ų12172 Ų7256%0.5633%0.325SS*.EExtended strand (participates in β ladder)trans5438.8176.2-158.369.1000113.7R387 Y420H385-R387 PolarHBondContact O-N 2.97Å; H385-R387 VanDerWaalsContact O-N 3.17Å; H385-Y420 HydrophobicContact CB-CD2 4.17Å
386L97.4Very high93.2Very high33 Ų3373.3 Ų73.317%0.17333%0.331CS..EExtended strand (participates in β ladder)trans-59.7118.1173.3-75.3176.7000110.1F360 Y374 L377 K378 I383 T384 L417 T418F360-L386 HydrophobicContact CZ-CD2 3.75Å; Y374-L386 HydrophobicContact CD2-CB 4Å; Y374-L386 HydrophobicContact CD2-CD1 4.42Å; Y374-L386 HydrophobicContact CE2-CB 3.52Å; Y374-L386 HydrophobicContact CE2-CD1 4.36Å; L377-L386 HydrophobicContact CB-CD1 3.99Å; L377-L386 HydrophobicContact CB-CD2 4.32Å; L377-L386 HydrophobicContact CD1-CD2 3.95Å; K378-L386 HydrophobicContact CB-CD1 4.39Å; I383-L386 HydrophobicContact CG2-CD1 4.45Å; I383-L386 HydrophobicContact CG2-CD2 3.51Å; I383-L386 HydrophobicContact CG2-CG 3.75Å; T384-L386 PolarHBondContact O-N 3.21Å; L386-L417 HydrophobicContact CD2-CD1 4.29Å; L386-T418 CarbonylContact C-O 3.57Å; L386-T418 VanDerWaalsContact CA-O 3.31Å; L386-T418 WeakPolarHBondContact CA-O 3.2Å
387R97.7Very high93Very high121 Ų12175.2 Ų75.246%0.45734%0.34SS..EExtended strand (participates in β ladder)trans-131.4121.7-178.5-164.8-169.9174.6169.5-4.1110.3H385 T389 L417 T418H385-R387 PolarHBondContact O-N 2.97Å; H385-R387 VanDerWaalsContact O-N 3.17Å; R387-T389 HydrophobicContact CG-CG2 3.58Å; R387-L417 WeakPolarHBondContact O-CA 3.32Å; R387-T418 PolarHBondContact N-O 3.32Å; R387-T418 PolarHBondContact O-N 3.38Å
388L97.2Very high92.8Very high57 Ų5780.3 Ų80.330%0.29837%0.371SS..EExtended strand (participates in β ladder)trans-97.1127.3170.1-173.661000108.8I367 L370 V371 L416 L417I367-L388 HydrophobicContact CD1-CD2 3.93Å; I367-L388 HydrophobicContact CG1-CD2 3.82Å; I367-L388 HydrophobicContact CG1-CG 4.43Å; L370-L388 HydrophobicContact CB-CD1 3.61Å; L370-L388 HydrophobicContact CD1-CD1 3.68Å; L370-L388 HydrophobicContact CG-CD1 4.32Å; V371-L388 HydrophobicContact CG2-CD2 3.91Å; L388-L416 CarbonylContact C-O 3.57Å; L388-L416 WeakPolarHBondContact CA-O 3.5Å; L388-L417 HydrophobicContact CD1-CB 4.41Å
389T95.7Very high92.4Very high16 Ų1675.6 Ų75.610%0.09835%0.352CS..EExtended strand (participates in β ladder)trans-142.2152.3-175.364.60000113.3R181 R387 Y415 L416R181-T389 PolarHBondContact NH2-OG1 2.94Å; R387-T389 HydrophobicContact CG-CG2 3.58Å; T389-Y415 CarbonylContact O-C 3.49Å; T389-Y415 WeakPolarHBondContact O-CA 3.35Å; T389-L416 PolarHBondContact N-O 2.77Å; T389-L416 PolarHBondContact O-N 2.74Å
390D92.5Very high92Very high53 Ų5368.3 Ų68.328%0.28333%0.329SS..EExtended strand (participates in β ladder)trans-114.3164.5167.2-177.215.1000109.1R181 W392 S412 Y415R181-D390 PolarHBondContact NH1-O 3.25Å; D390-W392 PolarHBondContact OD2-NE1 2.84Å; D390-S412 VanDerWaalsContact CG-OG 3.23Å; D390-S412 VanDerWaalsContact OD1-CB 3.32Å; D390-S412 WeakPolarHBondContact OD1-CB 3.03Å; D390-S412 PolarHBondContact OD1-OG 2.78Å; D390-S412 WeakPolarHBondContact OD2-CB 3.28Å; D390-S412 PolarHBondContact OD2-OG 3.24Å; D390-Y415 HydrophobicContact CB-CD1 3.95Å; D390-Y415 HydrophobicContact CB-CE1 3.97Å
391S87.1Confident91.7Very high10 Ų1073.8 Ų73.87%0.0736%0.356CS..  trans-130.7129.9173.725.90000111.7R175 T178 R181 N413R175-S391 PolarHBondContact NH2-O 3.34Å; T178-S391 PolarHBondContact OG1-OG 2.92Å; R181-S391 PolarHBondContact NH1-OG 3.37Å; S391-N413 PolarHBondContact OG-OD1 3.25Å
392W90.1Very high91.5Very high192 Ų19274.9 Ų74.973%0.72735%0.353SS*.  trans-108.9139.5169.6-58-17.3000110.3D390 C411D390-W392 PolarHBondContact OD2-NE1 2.84Å; W392-C411 VanDerWaalsContact CD1-O 3.27Å
393F89.9Confident91.5Very high68 Ų6878.6 Ų78.630%0.29837%0.374SS..  trans-133.3130.4177.5-169.4-90.1000108.3R175 F176 D177 H395R175-F393 VanDerWaalsContact NH2-CB 3.33Å; F176-F393 HydrophobicContact CE1-CE1 4.34Å; F176-F393 HydrophobicContact CE1-CZ 4.31Å; F176-F393 HydrophobicContact CE2-CE2 4.32Å; F176-F393 HydrophobicContact CE2-CZ 4.47Å; F176-F393 HydrophobicContact CZ-CD2 4.44Å; F176-F393 HydrophobicContact CZ-CE1 4.05Å; F176-F393 AromaticContact CZ-CE2 3.78Å; F176-F393 HydrophobicContact CZ-CE2 3.78Å; F176-F393 AromaticContact CZ-CZ 3.57Å; F176-F393 HydrophobicContact CZ-CZ 3.57Å; D177-F393 HydrophobicContact CB-CD2 4.02Å; F393-H395 AromaticContact CD1-CD2 3.85Å; F393-H395 AromaticContact CD1-NE2 3.67Å; F393-H395 AromaticContact CE1-CD2 3.77Å; F393-H395 AromaticContact CE1-CE1 3.5Å; F393-H395 AromaticContact CE1-CG 3.97Å; F393-H395 AromaticContact CE1-ND1 3.81Å; F393-H395 AromaticContact CE1-NE2 3.44Å; F393-H395 WeakPolarHBondContact CE1-NE2 3.43Å
394R90.2Very high91.3Very high171 Ų17181.3 Ų81.365%0.64539%0.386SS*.  trans-125.8110.6-175.5176.9172.6-69.7177.73.8109.2P405 M409R394-P405 HydrophobicContact CG-CB 4.12Å; R394-M409 HydrophobicContact CB-CE 4.42Å; R394-M409 HydrophobicContact CB-SD 4.01Å; R394-M409 HydrophobicContact CG-CE 3.7Å; R394-M409 HydrophobicContact CG-SD 3.71Å
395H89.6Confident91.2Very high83 Ų8381 Ų8138%0.38439%0.386SS..  trans-68.3138.1169.6-68.5-90.1000110F393 P405 E406F393-H395 AromaticContact CD1-CD2 3.85Å; F393-H395 AromaticContact CD1-NE2 3.67Å; F393-H395 AromaticContact CE1-CD2 3.77Å; F393-H395 AromaticContact CE1-CE1 3.5Å; F393-H395 AromaticContact CE1-CG 3.97Å; F393-H395 AromaticContact CE1-ND1 3.81Å; F393-H395 AromaticContact CE1-NE2 3.44Å; F393-H395 WeakPolarHBondContact CE1-NE2 3.43Å; H395-P405 WeakPolarHBondContact O-CA 3.25Å; H395-E406 HydrophobicContact CB-CB 4.37Å; H395-E406 VanDerWaalsContact CB-CD 3.49Å; H395-E406 HydrophobicContact CB-CG 3.84Å; H395-E406 PolarHBondContact O-N 3.06Å
396I93.7Very high90.8Very high100 Ų10079.7 Ų79.751%0.51338%0.38SS..EExtended strand (participates in β ladder)trans-120.1122.6178.1-57.5177.2000107.3V398 T403I396-V398 HydrophobicContact CB-CG2 4.44Å; I396-V398 HydrophobicContact CG2-CG2 3.85Å; I396-V398 PolarHBondContact O-N 3.11Å; I396-T403 HydrophobicContact CG2-CG2 4.16Å
397Q90.3Very high90.1Very high64 Ų6485.2 Ų85.230%0.29941%0.408SS..EExtended strand (participates in β ladder)trans-72.1123.3164.1-177.7179.9-8500107.3L399 R402 T403 H404Q397-L399 HydrophobicContact CG-CD1 3.83Å; Q397-L399 HydrophobicContact CG-CG 3.93Å; Q397-R402 PolarHBondContact NE2-O 3.02Å; Q397-T403 CarbonylContact O-C 3.13Å; Q397-T403 WeakPolarHBondContact O-CA 3.33Å; Q397-H404 PolarHBondContact N-O 3.47Å; Q397-H404 PolarHBondContact NE2-NE2 3.23Å; Q397-H404 VanDerWaalsContact NE2-NE2 3.12Å; Q397-H404 PolarHBondContact O-N 3.46Å; Q397-H404 VanDerWaalsContact O-N 3.08Å
398V90.2Very high89.5Confident109 Ų10986.3 Ų86.366%0.66142%0.423SS*.  trans-117.3103.6175.8-176.60000107.4I396 T403I396-V398 HydrophobicContact CB-CG2 4.44Å; I396-V398 HydrophobicContact CG2-CG2 3.85Å; I396-V398 PolarHBondContact O-N 3.11Å; V398-T403 HydrophobicContact CG2-CG2 4.45Å
399L85Confident88.7Confident48 Ų4887 Ų8725%0.25143%0.425SS..  trans-143.5146.1178.6-67176.5000107.6E68 Q397 E401 R402 T403E68-L399 WeakPolarHBondContact OE1-CD2 3.42Å; Q397-L399 HydrophobicContact CG-CD1 3.83Å; Q397-L399 HydrophobicContact CG-CG 3.93Å; L399-E401 PolarHBondContact O-N 3.36Å; L399-R402 HydrophobicContact CB-CB 3.98Å; L399-R402 CarbonylContact O-C 3.6Å; L399-R402 PolarHBondContact O-N 2.8Å; L399-T403 PolarHBondContact N-OG1 3.39Å; L399-T403 PolarHBondContact O-N 2.78Å; L399-T403 PolarHBondContact O-OG1 3.22Å; L399-T403 VanDerWaalsContact O-OG1 3.1Å
400P82.5Confident88Confident35 Ų3588.9 Ų88.923%0.22744%0.439CS..THydrogen-bonded Turntrans-49.8126.5176.3-27.935.4000111.4E68 R402E68-P400 HydrophobicContact CB-CG 4.24Å; E68-P400 HydrophobicContact CG-CG 4.47Å; E68-P400 WeakPolarHBondContact OE1-CD 3.14Å; E68-P400 WeakPolarHBondContact OE2-CD 3.37Å; E68-P400 WeakPolarHBondContact OE2-CG 3.34Å; P400-R402 PolarHBondContact O-N 3.5Å; P400-R402 PolarHBondContact O-NE 3.21Å
401E83.8Confident87.2Confident148 Ų14890.3 Ų90.369%0.69245%0.452SS*.THydrogen-bonded Turntrans54.513.1-178.1-53.7-172154.100115.9F132 L399F132-E401 HydrophobicContact CE2-CB 4.22Å; F132-E401 HydrophobicContact CZ-CB 3.81Å; F132-E401 WeakPolarHBondContact CZ-OE2 3.38Å; L399-E401 PolarHBondContact O-N 3.36Å
402R86Confident86.9Confident48 Ų4891.8 Ų91.818%0.18146%0.463CS..  trans-136.527.9-176.8-64.7170.6-68.4179.40.5111.9F132 Q397 L399 P400 H404F132-R402 HydrophobicContact CD1-CG 4.41Å; F132-R402 HydrophobicContact CD2-CG 4.31Å; F132-R402 HydrophobicContact CE2-CG 4.42Å; F132-R402 HydrophobicContact CG-CG 4.33Å; Q397-R402 PolarHBondContact NE2-O 3.02Å; L399-R402 HydrophobicContact CB-CB 3.98Å; L399-R402 CarbonylContact O-C 3.6Å; L399-R402 PolarHBondContact O-N 2.8Å; P400-R402 PolarHBondContact O-N 3.5Å; P400-R402 PolarHBondContact O-NE 3.21Å; R402-H404 PolarHBondContact O-CD2 2.89Å; R402-H404 VanDerWaalsContact O-CD2 3.26Å; R402-H404 PolarHBondContact O-N 2.93Å
403T92.5Very high86.8Confident85 Ų8583.2 Ų83.252%0.52143%0.431SS..  trans-80.5117.4178.9-64.30000110.7I396 Q397 V398 L399I396-T403 HydrophobicContact CG2-CG2 4.16Å; Q397-T403 CarbonylContact O-C 3.13Å; Q397-T403 WeakPolarHBondContact O-CA 3.33Å; V398-T403 HydrophobicContact CG2-CG2 4.45Å; L399-T403 PolarHBondContact N-OG1 3.39Å; L399-T403 PolarHBondContact O-N 2.78Å; L399-T403 PolarHBondContact O-OG1 3.22Å; L399-T403 VanDerWaalsContact O-OG1 3.1Å
404H93Very high87Confident78 Ų7880.2 Ų80.236%0.36142%0.419SS..EExtended strand (participates in β ladder)trans-158.7158.5176.761.883.1000110.8Q397 R402Q397-H404 PolarHBondContact N-O 3.47Å; Q397-H404 PolarHBondContact NE2-NE2 3.23Å; Q397-H404 VanDerWaalsContact NE2-NE2 3.12Å; Q397-H404 PolarHBondContact O-N 3.46Å; Q397-H404 VanDerWaalsContact O-N 3.08Å; R402-H404 PolarHBondContact O-CD2 2.89Å; R402-H404 VanDerWaalsContact O-CD2 3.26Å; R402-H404 PolarHBondContact O-N 2.93Å
405P94Very high87.2Confident61 Ų6174.8 Ų74.840%0.39640%0.399SS..EExtended strand (participates in β ladder)trans-56.2147167.1-24.235.2000111.4R394 H395 M409R394-P405 HydrophobicContact CG-CB 4.12Å; H395-P405 WeakPolarHBondContact O-CA 3.25Å; P405-M409 HydrophobicContact CB-CE 4.37Å
406E88.4Confident87.6Confident94 Ų9470.9 Ų70.944%0.43938%0.381SS..  trans-58.6144.7169.4-68.1-171.6174.500110.8H395 M409H395-E406 HydrophobicContact CB-CB 4.37Å; H395-E406 VanDerWaalsContact CB-CD 3.49Å; H395-E406 HydrophobicContact CB-CG 3.84Å; H395-E406 PolarHBondContact O-N 3.06Å; E406-M409 HydrophobicContact CB-CE 3.95Å; E406-M409 WeakPolarHBondContact O-CE 3.46Å
407I83.9Confident87.8Confident148 Ų14866.1 Ų66.176%0.75936%0.357SS*.SBendtrans-72.8-38.7-173.1-60.8174000110.9
408N83.8Confident88.2Confident144 Ų14463.5 Ų63.577%0.7735%0.345SS*.SBendtrans-114113.1-176.2-66-31.5000109.6
409M81Confident88.6Confident72 Ų7258.4 Ų58.436%0.35531%0.314SS..  trans-145.2154.7176.259-174.557.800111.3R394 P405 E406R394-M409 HydrophobicContact CB-CE 4.42Å; R394-M409 HydrophobicContact CB-SD 4.01Å; R394-M409 HydrophobicContact CG-CE 3.7Å; R394-M409 HydrophobicContact CG-SD 3.71Å; P405-M409 HydrophobicContact CB-CE 4.37Å; E406-M409 HydrophobicContact CB-CE 3.95Å; E406-M409 WeakPolarHBondContact O-CE 3.46Å
410S81Confident89.3Confident56 Ų5660.8 Ų60.839%0.39232%0.321SS..  trans-79.6132.7168.6560000110.2R175R175-S410 PolarHBondContact NH1-O 3.42Å
411C76.3Confident90Very high82 Ų8259.5 Ų59.555%0.55431%0.312SS*.SBendtrans-73.2-65.8179.51780000111R175 W392R175-C411 PolarHBondContact NH1-O 3.47Å; W392-C411 VanDerWaalsContact CD1-O 3.27Å
412S80.5Confident90.6Very high41 Ų4155.6 Ų55.629%0.28730%0.295SS..  trans-115.5151.4179175.10000110.5D390 G414D390-S412 VanDerWaalsContact CG-OG 3.23Å; D390-S412 VanDerWaalsContact OD1-CB 3.32Å; D390-S412 WeakPolarHBondContact OD1-CB 3.03Å; D390-S412 PolarHBondContact OD1-OG 2.78Å; D390-S412 WeakPolarHBondContact OD2-CB 3.28Å; D390-S412 PolarHBondContact OD2-OG 3.24Å; S412-G414 PolarHBondContact OG-N 2.79Å
413N87.9Confident90.8Very high13 Ų1360.1 Ų60.17%0.0732%0.319CS..  trans-128.932.1178.365.8-16.7000111.3G173 R175 T178 Y363 S391G173-N413 WeakPolarHBondContact O-CB 3.46Å; R175-N413 WeakPolarHBondContact CB-ND2 3.43Å; R175-N413 HydrophobicContact CG-CB 4.18Å; R175-N413 WeakPolarHBondContact CG-ND2 3.35Å; R175-N413 PolarHBondContact N-ND2 3.3Å; R175-N413 PolarHBondContact NE-ND2 2.77Å; T178-N413 PolarHBondContact OG1-ND2 2.91Å; T178-N413 PolarHBondContact OG1-OD1 3.15Å; Y363-N413 VanDerWaalsContact CE2-O 3.32Å; Y363-N413 WeakPolarHBondContact CE2-O 3.44Å; Y363-N413 PolarHBondContact OH-O 2.83Å; S391-N413 PolarHBondContact OG-OD1 3.25Å
414G92.5Very high90.4Very high5 Ų561 Ų615%0.05233%0.326CS..  trans106.6-175.3178.100000113.5T364 S412T364-G414 WeakPolarHBondContact O-CA 3.14Å; S412-G414 PolarHBondContact OG-N 2.79Å
415Y96Very high89.9Confident56 Ų5661 Ų6122%0.2233%0.331CS..EExtended strand (participates in β ladder)trans-129149.4-164.8-58-91.3000110.3Y363 T364 I367 L370 T389 D390Y363-Y415 WeakPolarHBondContact CA-O 3.39Å; Y363-Y415 WeakPolarHBondContact CD2-O 2.97Å; T364-Y415 PolarHBondContact N-O 2.41Å; T364-Y415 PolarHBondContact O-N 3.48Å; I367-Y415 HydrophobicContact CB-CD1 3.9Å; I367-Y415 HydrophobicContact CB-CD2 3.82Å; I367-Y415 HydrophobicContact CB-CE1 3.91Å; I367-Y415 HydrophobicContact CB-CE2 3.84Å; I367-Y415 HydrophobicContact CB-CG 3.85Å; I367-Y415 HydrophobicContact CD1-CD1 3.93Å; I367-Y415 HydrophobicContact CD1-CE1 3.88Å; I367-Y415 HydrophobicContact CG1-CD1 3.94Å; I367-Y415 HydrophobicContact CG1-CE1 4.18Å; I367-Y415 HydrophobicContact CG1-CG 4.17Å; L370-Y415 WeakPolarHBondContact CD1-O 3.43Å; T389-Y415 CarbonylContact O-C 3.49Å; T389-Y415 WeakPolarHBondContact O-CA 3.35Å; D390-Y415 HydrophobicContact CB-CD1 3.95Å; D390-Y415 HydrophobicContact CB-CE1 3.97Å
416L97.7Very high89.3Confident1 Ų160.3 Ų60.31%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-119.2130.1177.1-60.3177.5000110.3T178 R181 I182 Y185 V361 V362 Y363 L388 T389T178-L416 HydrophobicContact CG2-CD1 4.19Å; T178-L416 HydrophobicContact CG2-CD2 4.21Å; T178-L416 HydrophobicContact CG2-CG 4.26Å; R181-L416 HydrophobicContact CB-CD1 3.81Å; I182-L416 HydrophobicContact CD1-CD2 4.03Å; I182-L416 HydrophobicContact CG1-CD1 4.18Å; I182-L416 HydrophobicContact CG1-CD2 3.56Å; Y185-L416 HydrophobicContact CD2-CD1 4.2Å; Y185-L416 HydrophobicContact CE2-CD1 4.23Å; V361-L416 HydrophobicContact CG1-CD2 4.12Å; V362-L416 CarbonylContact O-C 3.55Å; V362-L416 WeakPolarHBondContact O-CA 3.33Å; Y363-L416 HydrophobicContact CD2-CD2 3.79Å; Y363-L416 HydrophobicContact CG-CD2 4.19Å; L388-L416 CarbonylContact C-O 3.57Å; L388-L416 WeakPolarHBondContact CA-O 3.5Å; T389-L416 PolarHBondContact N-O 2.77Å; T389-L416 PolarHBondContact O-N 2.74Å
417L98.5Very high89.1Confident0 Ų058.1 Ų58.10%032%0.319CS..EExtended strand (participates in β ladder)trans-104.9124.5162.617963.3000108.8V362 L370 L373 Y374 L377 L386 R387 L388V362-L417 HydrophobicContact CB-CB 4.41Å; V362-L417 PolarHBondContact N-O 2.94Å; V362-L417 PolarHBondContact O-N 3.46Å; L370-L417 HydrophobicContact CB-CB 4.36Å; L370-L417 HydrophobicContact CD1-CB 4.2Å; L370-L417 HydrophobicContact CD2-CB 3.91Å; L370-L417 HydrophobicContact CG-CB 4.38Å; L373-L417 HydrophobicContact CB-CD2 4.1Å; L373-L417 HydrophobicContact CD2-CD2 3.68Å; L373-L417 HydrophobicContact CG-CD2 3.62Å; Y374-L417 HydrophobicContact CD2-CD1 3.73Å; L377-L417 HydrophobicContact CD1-CD2 4.06Å; L386-L417 HydrophobicContact CD2-CD1 4.29Å; R387-L417 WeakPolarHBondContact O-CA 3.32Å; L388-L417 HydrophobicContact CD1-CB 4.41Å
418T98.5Very high89.2Confident10 Ų1051.1 Ų51.16%0.06128%0.283CS..EExtended strand (participates in β ladder)trans-126.8152.6179.764.20000111Y185 F360 V361 L386 R387Y185-T418 HydrophobicContact CD2-CG2 3.75Å; Y185-T418 HydrophobicContact CE2-CG2 4.47Å; Y185-T418 HydrophobicContact CG-CG2 3.98Å; F360-T418 WeakPolarHBondContact O-CA 3.46Å; V361-T418 HydrophobicContact CB-CG2 4.4Å; V361-T418 HydrophobicContact CG1-CG2 4.07Å; V361-T418 HydrophobicContact CG2-CG2 4.01Å; L386-T418 CarbonylContact C-O 3.57Å; L386-T418 VanDerWaalsContact CA-O 3.31Å; L386-T418 WeakPolarHBondContact CA-O 3.2Å; R387-T418 PolarHBondContact N-O 3.32Å; R387-T418 PolarHBondContact O-N 3.38Å
419G98.2Very high89.2Confident1 Ų147.8 Ų47.81%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-170.2-180172.200000111.7P359 F360 T384P359-G419 WeakPolarHBondContact CA-O 3.31Å; F360-G419 VanDerWaalsContact CD1-O 3.31Å; F360-G419 WeakPolarHBondContact CD1-O 3.45Å; F360-G419 VanDerWaalsContact CE1-C 3.43Å; F360-G419 VanDerWaalsContact CE1-CA 3.5Å; F360-G419 PolarHBondContact N-O 2.69Å; F360-G419 PolarHBondContact O-N 2.93Å; T384-G419 WeakPolarHBondContact O-CA 3.18Å
420Y98.3Very high89.5Confident99 Ų9949.3 Ų49.339%0.38827%0.268SS..EExtended strand (participates in β ladder)trans-122.8138.8176.3-66-96.3000110.3R358 P359 I383 T384 H385R358-Y420 WeakPolarHBondContact O-CA 3.18Å; P359-Y420 HydrophobicContact CB-CD1 4.06Å; P359-Y420 HydrophobicContact CB-CE1 3.77Å; P359-Y420 HydrophobicContact CG-CE1 4.36Å; I383-Y420 VanDerWaalsContact CA-O 3.3Å; I383-Y420 WeakPolarHBondContact CA-O 3.18Å; T384-Y420 PolarHBondContact N-O 3.1Å; T384-Y420 PolarHBondContact O-N 3.21Å; H385-Y420 HydrophobicContact CB-CD2 4.17Å
421T97.4Very high89.8Confident8 Ų846.6 Ų46.65%0.04925%0.249CC..EExtended strand (participates in β ladder)trans-69.4135172.649.20000110.7L351 L354 P355 I356 G357 R358L351-T421 HydrophobicContact CD2-CG2 4.15Å; L354-T421 HydrophobicContact CB-CG2 4.46Å; L354-T421 HydrophobicContact CD2-CG2 3.7Å; L354-T421 HydrophobicContact CG-CG2 4.12Å; P355-T421 WeakPolarHBondContact O-CB 3.48Å; P355-T421 PolarHBondContact O-OG1 3.44Å; I356-T421 WeakPolarHBondContact CA-OG1 3.47Å; G357-T421 WeakPolarHBondContact CA-O 3.34Å; G357-T421 PolarHBondContact N-O 3.18Å; G357-T421 PolarHBondContact N-OG1 3.5Å; R358-T421 PolarHBondContact N-OG1 3.12Å; R358-T421 PolarHBondContact O-N 3.13Å; R358-T421 PolarHBondContact O-OG1 3.45Å
422I96.5Very high90.4Very high65 Ų6543 Ų4333%0.33322%0.224SC..  trans-140.5170.3176.258.6158.9000109.9G382 T384G382-I422 VanDerWaalsContact C-CG1 3.5Å; G382-I422 CarbonylContact C-O 3.58Å; G382-I422 WeakPolarHBondContact CA-O 3.21Å; G382-I422 PolarHBondContact O-N 3.46Å; G382-I422 VanDerWaalsContact O-O 3.07Å; T384-I422 HydrophobicContact CG2-CD1 4.5Å; T384-I422 HydrophobicContact CG2-CG2 3.58Å
423E91.1Very high90.6Very high144 Ų14444.9 Ų44.967%0.67323%0.228SC*.SBendtrans-70.2151.2165.8-67.5-179.3175.800111.3I356I356-E423 HydrophobicContact CD1-CG 3.69Å
424P84.4Confident90.5Very high104 Ų10446.6 Ų46.668%0.67524%0.242SC*.PPolyproline II helixcis-76.2143.8-4.231.8-34.7000112.1G382G382-P424 WeakPolarHBondContact CA-O 3.38Å
425V81.1Confident90Very high77 Ų7749.6 Ų49.647%0.46727%0.272SS..PPolyproline II helixtrans-102.3124.3173-179.60000108.2I356 S427I356-V425 HydrophobicContact CD1-CG2 3.66Å; I356-V425 HydrophobicContact CG1-CG2 3.42Å; I356-V425 VanDerWaalsContact CG1-CG2 3.42Å; V425-S427 PolarHBondContact O-N 3.36Å
426L82.5Confident89.4Confident47 Ų4749.1 Ų49.125%0.24627%0.273CS..PPolyproline II helixtrans-62.8128.4169.8-65.6174.9000108.7Q352 R380 E430 F431 L436Q352-L426 PolarHBondContact OE1-O 3.41Å; R380-L426 HydrophobicContact CG-CD1 3.84Å; L426-E430 HydrophobicContact CB-CB 4.41Å; L426-E430 HydrophobicContact CD2-CB 4.26Å; L426-F431 HydrophobicContact CB-CB 4.21Å; L426-L436 HydrophobicContact CD1-CD1 4.43Å
427S84.4Confident88.7Confident47 Ų4749.6 Ų49.633%0.32928%0.276SS..PPolyproline II helixtrans-58.3158.5167.364.90000110.1V425 K429 E430 F431V425-S427 PolarHBondContact O-N 3.36Å; S427-K429 PolarHBondContact O-N 3.42Å; S427-E430 WeakPolarHBondContact CB-OE2 3.3Å; S427-E430 PolarHBondContact N-OE2 3.16Å; S427-E430 PolarHBondContact O-N 2.82Å; S427-E430 WeakPolarHBondContact OG-CB 3.44Å; S427-E430 WeakPolarHBondContact OG-CG 3.05Å; S427-E430 PolarHBondContact OG-N 2.87Å; S427-E430 PolarHBondContact OG-OE2 3.4Å; S427-F431 WeakPolarHBondContact O-CB 3.38Å; S427-F431 PolarHBondContact O-N 3.45Å
428T85Confident87.7Confident1 Ų154.3 Ų54.31%0.00631%0.309CS..Hα-helixtrans-57.4-38.9-178.9-41.70000111.2L259 K262 A263 D266 L432L259-T428 HydrophobicContact CB-CG2 4.02Å; L259-T428 HydrophobicContact CD2-CG2 3.97Å; L259-T428 VanDerWaalsContact O-CG2 3.23Å; L259-T428 WeakPolarHBondContact O-CG2 3.39Å; K262-T428 HydrophobicContact CB-CG2 4.38Å; K262-T428 HydrophobicContact CD-CG2 4.48Å; K262-T428 WeakPolarHBondContact CD-OG1 3.35Å; K262-T428 PolarHBondContact NZ-OG1 2.83Å; A263-T428 HydrophobicContact CB-CG2 4.19Å; D266-T428 WeakPolarHBondContact OD2-CB 3.27Å; D266-T428 PolarHBondContact OD2-OG1 2.96Å; T428-L432 HydrophobicContact CG2-CD1 4.28Å; T428-L432 WeakPolarHBondContact O-CG 3.43Å; T428-L432 PolarHBondContact O-N 3.14Å
429K84.7Confident86Confident75 Ų7557.6 Ų57.633%0.32633%0.332SS..Hα-helixtrans-64.1-53.3176-174.5-178.4176.1-174.70111.9S427 F431 L432 E433S427-K429 PolarHBondContact O-N 3.42Å; K429-F431 VanDerWaalsContact C-N 3.25Å; K429-F431 PolarHBondContact O-N 2.97Å; K429-L432 PolarHBondContact O-N 3.41Å; K429-L432 VanDerWaalsContact O-N 3.14Å; K429-E433 WeakPolarHBondContact CE-OE1 3.28Å; K429-E433 WeakPolarHBondContact O-CB 3.48Å; K429-E433 WeakPolarHBondContact O-CG 3.33Å; K429-E433 PolarHBondContact O-N 3.13Å
430E86.2Confident84Confident103 Ų10359.2 Ų59.248%0.48134%0.34SS..Hα-helixtrans-59-38.8178.4-71.6165.1143.200111.8L426 S427 E433 S434L426-E430 HydrophobicContact CB-CB 4.41Å; L426-E430 HydrophobicContact CD2-CB 4.26Å; S427-E430 WeakPolarHBondContact CB-OE2 3.3Å; S427-E430 PolarHBondContact N-OE2 3.16Å; S427-E430 PolarHBondContact O-N 2.82Å; S427-E430 WeakPolarHBondContact OG-CB 3.44Å; S427-E430 WeakPolarHBondContact OG-CG 3.05Å; S427-E430 PolarHBondContact OG-N 2.87Å; S427-E430 PolarHBondContact OG-OE2 3.4Å; E430-E433 PolarHBondContact O-N 3.37Å; E430-S434 VanDerWaalsContact O-CB 3.3Å; E430-S434 WeakPolarHBondContact O-CB 3.47Å; E430-S434 PolarHBondContact O-N 2.85Å
431F89.1Confident81.2Confident0 Ų060.6 Ų60.60%038%0.384CS..Hα-helixtrans-61.9-48.5175.7167.3-113.1000111.8L259 L348 Q352 L426 S427 K429 E433 S434 L437L259-F431 HydrophobicContact CD1-CE1 4.27Å; L348-F431 HydrophobicContact CB-CE2 3.86Å; L348-F431 HydrophobicContact CB-CZ 3.89Å; L348-F431 WeakPolarHBondContact O-CZ 2.89Å; Q352-F431 HydrophobicContact CG-CD1 3.51Å; Q352-F431 HydrophobicContact CG-CE1 3.72Å; Q352-F431 HydrophobicContact CG-CG 4.03Å; Q352-F431 HydrophobicContact CG-CZ 4.41Å; Q352-F431 VanDerWaalsContact NE2-CD2 3.3Å; L426-F431 HydrophobicContact CB-CB 4.21Å; S427-F431 WeakPolarHBondContact O-CB 3.38Å; S427-F431 PolarHBondContact O-N 3.45Å; K429-F431 VanDerWaalsContact C-N 3.25Å; K429-F431 PolarHBondContact O-N 2.97Å; F431-E433 VanDerWaalsContact C-N 3.28Å; F431-E433 PolarHBondContact O-N 3.38Å; F431-S434 WeakPolarHBondContact O-CB 3.5Å; F431-S434 PolarHBondContact O-N 3.39Å; F431-S434 PolarHBondContact O-OG 3.03Å; F431-L437 HydrophobicContact CE1-CD1 3.63Å; F431-L437 HydrophobicContact CE1-CG 4.25Å; F431-L437 HydrophobicContact CE2-CD1 4.47Å; F431-L437 HydrophobicContact CE2-CG 4.22Å; F431-L437 HydrophobicContact CZ-CD1 3.53Å; F431-L437 HydrophobicContact CZ-CD2 3.86Å; F431-L437 HydrophobicContact CZ-CG 3.62Å
432L87Confident80.4Confident6 Ų663.2 Ų63.23%0.03140%0.401CS..Hα-helixtrans-63.1-38.7178.8-68.8171.6000110.7L256 L260 I283 T428 K429 L437 I440L256-L432 HydrophobicContact CD1-CD2 3.7Å; L260-L432 HydrophobicContact CD2-CD1 3.74Å; L260-L432 HydrophobicContact CG-CD1 4.36Å; I283-L432 HydrophobicContact CD1-CB 3.89Å; I283-L432 WeakPolarHBondContact CD1-O 3.43Å; I283-L432 HydrophobicContact CG2-CB 3.79Å; I283-L432 HydrophobicContact CG2-CD1 4.18Å; T428-L432 HydrophobicContact CG2-CD1 4.28Å; T428-L432 WeakPolarHBondContact O-CG 3.43Å; T428-L432 PolarHBondContact O-N 3.14Å; K429-L432 PolarHBondContact O-N 3.41Å; K429-L432 VanDerWaalsContact O-N 3.14Å; L432-L437 HydrophobicContact CD2-CD1 4.39Å; L432-I440 HydrophobicContact CD2-CD1 3.64Å
433E86.5Confident79.5Confident80 Ų8063.1 Ų63.137%0.37440%0.404SS..Hα-helixtrans-77.5-15.8179.1-68.8-179.915500114.2S281 I283 K429 E430 F431 G435S281-E433 WeakPolarHBondContact CB-OE1 3.33Å; S281-E433 PolarHBondContact OG-OE1 3.12Å; I283-E433 HydrophobicContact CB-CG 4.25Å; I283-E433 HydrophobicContact CD1-CG 3.95Å; I283-E433 HydrophobicContact CG2-CG 4.43Å; K429-E433 WeakPolarHBondContact CE-OE1 3.28Å; K429-E433 WeakPolarHBondContact O-CB 3.48Å; K429-E433 WeakPolarHBondContact O-CG 3.33Å; K429-E433 PolarHBondContact O-N 3.13Å; E430-E433 PolarHBondContact O-N 3.37Å; F431-E433 VanDerWaalsContact C-N 3.28Å; F431-E433 PolarHBondContact O-N 3.38Å; E433-G435 PolarHBondContact O-N 2.96Å; E433-G435 VanDerWaalsContact O-N 3.07Å
434S84.5Confident78.9Confident50 Ų5058.6 Ų58.635%0.3539%0.39SS..THydrogen-bonded Turntrans-64.9-13.6-175.869.70000115.4E430 F431 L436E430-S434 VanDerWaalsContact O-CB 3.3Å; E430-S434 WeakPolarHBondContact O-CB 3.47Å; E430-S434 PolarHBondContact O-N 2.85Å; F431-S434 WeakPolarHBondContact O-CB 3.5Å; F431-S434 PolarHBondContact O-N 3.39Å; F431-S434 PolarHBondContact O-OG 3.03Å; S434-L436 PolarHBondContact O-N 3.47Å; S434-L436 WeakPolarHBondContact OG-CB 3.4Å; S434-L436 WeakPolarHBondContact OG-CD1 3.42Å; S434-L436 WeakPolarHBondContact OG-CG 3.38Å; S434-L436 PolarHBondContact OG-N 3.11Å
435G83.5Confident78.5Confident67 Ų6755.9 Ų55.969%0.69137%0.373SS*.THydrogen-bonded Turntrans66.511.7-173.900000114.1E433 L437E433-G435 PolarHBondContact O-N 2.96Å; E433-G435 VanDerWaalsContact O-N 3.07Å; G435-L437 VanDerWaalsContact C-N 3.3Å; G435-L437 PolarHBondContact O-N 2.94Å
436L83.4Confident78.4Confident46 Ų4654.6 Ų54.624%0.24137%0.367CS..  trans-71.8-23.7179.4-71176.1000113.4L348 I376 R380 L426 S434L348-L436 HydrophobicContact CD1-CB 4.3Å; I376-L436 HydrophobicContact CG2-CD2 4.11Å; R380-L436 HydrophobicContact CB-CD1 4.03Å; R380-L436 HydrophobicContact CG-CD1 3.96Å; L426-L436 HydrophobicContact CD1-CD1 4.43Å; S434-L436 PolarHBondContact O-N 3.47Å; S434-L436 WeakPolarHBondContact OG-CB 3.4Å; S434-L436 WeakPolarHBondContact OG-CD1 3.42Å; S434-L436 WeakPolarHBondContact OG-CG 3.38Å; S434-L436 PolarHBondContact OG-N 3.11Å
437L82.4Confident78.1Confident12 Ų1255.1 Ų55.16%0.06338%0.375CS..  trans-86.6120.3178.2-72.8177.2000110.3D345 L348 T349 F431 L432 G435 S439 I440D345-L437 HydrophobicContact CB-CD2 3.8Å; L348-L437 HydrophobicContact CB-CD2 4.17Å; T349-L437 WeakPolarHBondContact OG1-CD2 3.24Å; F431-L437 HydrophobicContact CE1-CD1 3.63Å; F431-L437 HydrophobicContact CE1-CG 4.25Å; F431-L437 HydrophobicContact CE2-CD1 4.47Å; F431-L437 HydrophobicContact CE2-CG 4.22Å; F431-L437 HydrophobicContact CZ-CD1 3.53Å; F431-L437 HydrophobicContact CZ-CD2 3.86Å; F431-L437 HydrophobicContact CZ-CG 3.62Å; L432-L437 HydrophobicContact CD2-CD1 4.39Å; G435-L437 VanDerWaalsContact C-N 3.3Å; G435-L437 PolarHBondContact O-N 2.94Å; L437-S439 PolarHBondContact O-N 2.98Å; L437-I440 HydrophobicContact CB-CB 4.33Å; L437-I440 HydrophobicContact CB-CD1 3.95Å; L437-I440 HydrophobicContact CB-CG1 3.92Å; L437-I440 HydrophobicContact CD1-CD1 3.33Å; L437-I440 HydrophobicContact CD1-CG1 4.02Å; L437-I440 HydrophobicContact CG-CD1 4.24Å
438S76.7Confident77.7Confident99 Ų9955.7 Ų55.769%0.69238%0.378SS*.G310 helixtrans-65.8-24.5176.168.70000112.7D345D345-S438 VanDerWaalsContact CG-OG 3.27Å; D345-S438 PolarHBondContact OD1-N 2.92Å; D345-S438 PolarHBondContact OD1-OG 3.23Å; D345-S438 PolarHBondContact OD2-N 3.33Å; D345-S438 VanDerWaalsContact OD2-N 3.17Å; D345-S438 PolarHBondContact OD2-OG 3.1Å
439S62.9Low77.1Confident78 Ų7859.9 Ų59.955%0.54541%0.407SS..G310 helixtrans-87.3-1.4-17442.20000115.6D345 L437D345-S439 WeakPolarHBondContact OD2-CB 3.44Å; D345-S439 PolarHBondContact OD2-N 3.41Å; D345-S439 VanDerWaalsContact OD2-N 3.1Å; D345-S439 PolarHBondContact OD2-OG 3.22Å; L437-S439 PolarHBondContact O-N 2.98Å
440I56.4Low76.5Confident36 Ų3658.7 Ų58.719%0.18541%0.414CS..G310 helixtrans-98.9-11.8-179.2-67.7-174.1000112.8L256 I283 L432 L437L256-I440 HydrophobicContact CD1-CD1 4Å; I283-I440 HydrophobicContact CD1-CG2 4.28Å; L432-I440 HydrophobicContact CD2-CD1 3.64Å; L437-I440 HydrophobicContact CB-CB 4.33Å; L437-I440 HydrophobicContact CB-CD1 3.95Å; L437-I440 HydrophobicContact CB-CG1 3.92Å; L437-I440 HydrophobicContact CD1-CD1 3.33Å; L437-I440 HydrophobicContact CD1-CG1 4.02Å; L437-I440 HydrophobicContact CG-CD1 4.24Å
441G38.9Very low75.6Confident127 Ų12754.6 Ų54.6100%1.30941%0.407SS*.  trans-870163.500000111.3

Retrieved 441 of 441 residues in 664.8 ms (Link to these results)

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