A0A077YW85_TRITR Loading...

Protein asteroid homolog 1

AlphaFold DB , UniProt , Accession A0A077YW85, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 650 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
1M56.1Low81.9Confident20 Ų2017.3 Ų17.310%0.0999%0.093CC..  0137.50-56.9-51.6-95.500105.2K87 T90 D159 D220M1-K87 HydrophobicContact CE-CB 4.4Å; M1-K87 HydrophobicContact CE-CD 3.46Å; M1-K87 VanDerWaalsContact CE-CD 3.46Å; M1-K87 VanDerWaalsContact CE-CE 3.48Å; M1-K87 HydrophobicContact CE-CG 3.61Å; M1-T90 HydrophobicContact CE-CG2 3.88Å; M1-T90 HydrophobicContact CG-CG2 4.02Å; M1-T90 HydrophobicContact SD-CG2 3.19Å; M1-T90 WeakPolarHBondContact SD-CG2 3.47Å; M1-D159 VanDerWaalsContact CB-OD2 3.31Å; M1-D159 WeakPolarHBondContact CB-OD2 3.22Å; M1-D220 HydrophobicContact CE-CB 4.39Å; M1-D220 WeakPolarHBondContact CE-OD1 3.08Å; M1-D220 WeakPolarHBondContact CE-OD2 3.27Å
2G74.7Confident82.2Confident6 Ų622.3 Ų22.36%0.06212%0.116CC..  trans97.9179.3-160.900000113.8R4 D159 S160G2-R4 PolarHBondContact O-N 2.81Å; G2-D159 WeakPolarHBondContact CA-OD1 3.23Å; G2-D159 PolarHBondContact N-OD1 3.34Å; G2-S160 VanDerWaalsContact C-OG 3.23Å; G2-S160 WeakPolarHBondContact CA-OG 3.3Å
3I81.6Confident82.6Confident0 Ų020.6 Ų20.60%011%0.107CC..  trans-84.5107.8-172.1-57.4156000109.1G5 L6 S160 V164 A214 T217 N219 M254I3-G5 PolarHBondContact O-N 3.27Å; I3-L6 HydrophobicContact CB-CB 3.9Å; I3-L6 HydrophobicContact CB-CD2 3.86Å; I3-L6 HydrophobicContact CD1-CD2 3.5Å; I3-L6 HydrophobicContact CG1-CD2 4.3Å; I3-L6 HydrophobicContact CG2-CB 3.83Å; I3-L6 HydrophobicContact CG2-CD2 4.06Å; I3-L6 VanDerWaalsContact O-CB 3.25Å; I3-L6 WeakPolarHBondContact O-CB 3.18Å; I3-L6 PolarHBondContact O-N 3.05Å; I3-L6 VanDerWaalsContact O-N 3.09Å; I3-S160 PolarHBondContact N-OG 3.4Å; I3-S160 PolarHBondContact O-OG 3.02Å; I3-V164 HydrophobicContact CD1-CB 4.25Å; I3-V164 HydrophobicContact CD1-CG2 3.33Å; I3-A214 HydrophobicContact CD1-CB 3.48Å; I3-A214 VanDerWaalsContact CD1-CB 3.48Å; I3-A214 HydrophobicContact CG1-CB 4.01Å; I3-T217 WeakPolarHBondContact CG2-OG1 2.98Å; I3-N219 HydrophobicContact CG1-CB 4.4Å; I3-M254 HydrophobicContact CG2-CE 4.15Å
4R74.7Confident82.3Confident50 Ų5026.7 Ų26.719%0.18915%0.149CC..THydrogen-bonded Turntrans-58.2129.1-176.1165.8-177.2-161.5-177.313.2112.2G2 L6 K250 M254 S635 D636 W637 D638 D639G2-R4 PolarHBondContact O-N 2.81Å; R4-L6 VanDerWaalsContact C-N 3.27Å; R4-K250 HydrophobicContact CG-CD 4.09Å; R4-K250 WeakPolarHBondContact O-CD 3.4Å; R4-K250 WeakPolarHBondContact O-CE 3.49Å; R4-K250 PolarHBondContact O-NZ 2.83Å; R4-M254 WeakPolarHBondContact O-CE 3.29Å; R4-S635 VanDerWaalsContact CZ-O 3.29Å; R4-S635 PolarHBondContact NH1-O 3.27Å; R4-S635 PolarHBondContact NH2-O 2.91Å; R4-S635 VanDerWaalsContact NH2-O 3.16Å; R4-D636 VanDerWaalsContact NH1-C 3.26Å; R4-D636 VanDerWaalsContact NH1-CA 3.32Å; R4-W637 VanDerWaalsContact CD-C 3.5Å; R4-W637 WeakPolarHBondContact CD-O 3.37Å; R4-W637 PolarHBondContact NE-O 2.81Å; R4-D638 WeakPolarHBondContact CA-OD1 3.44Å; R4-D638 HydrophobicContact CB-CB 3.84Å; R4-D638 HydrophobicContact CG-CB 4.47Å; R4-D639 IonicContact CZ-OD2 2.6Å; R4-D639 IonicContact NE-OD2 2.66Å; R4-D639 IonicContact NH2-OD2 2.83Å; R4-D639 PolarHBondContact NH2-OD2 2.86Å
5G83Confident82.6Confident5 Ų526.8 Ų26.85%0.05216%0.158CC..THydrogen-bonded Turntrans89.3-12.5178.300000113.4I3 S8 L9 D638 D640I3-G5 PolarHBondContact O-N 3.27Å; G5-S8 PolarHBondContact O-OG 3.34Å; G5-L9 VanDerWaalsContact O-CB 3.24Å; G5-L9 WeakPolarHBondContact O-CB 3.14Å; G5-L9 PolarHBondContact O-N 3.05Å; G5-D638 PolarHBondContact N-OD1 3.45Å; G5-D640 WeakPolarHBondContact CA-OD2 3.4Å; G5-D640 PolarHBondContact N-OD2 3.36Å; G5-D640 VanDerWaalsContact N-OD2 3.17Å
6L89.2Confident83.1Confident2 Ų225.1 Ų25.11%0.0115%0.148CC..Hα-helixtrans-77.9-38-175.4-175.859.7000111.6I3 R4 L9 V10 L163 V164 W198 F213 M254I3-L6 HydrophobicContact CB-CB 3.9Å; I3-L6 HydrophobicContact CB-CD2 3.86Å; I3-L6 HydrophobicContact CD1-CD2 3.5Å; I3-L6 HydrophobicContact CG1-CD2 4.3Å; I3-L6 HydrophobicContact CG2-CB 3.83Å; I3-L6 HydrophobicContact CG2-CD2 4.06Å; I3-L6 VanDerWaalsContact O-CB 3.25Å; I3-L6 WeakPolarHBondContact O-CB 3.18Å; I3-L6 PolarHBondContact O-N 3.05Å; I3-L6 VanDerWaalsContact O-N 3.09Å; R4-L6 VanDerWaalsContact C-N 3.27Å; L6-L9 HydrophobicContact CD1-CD2 4.3Å; L6-L9 PolarHBondContact O-N 3.28Å; L6-V10 HydrophobicContact CD1-CG2 4.36Å; L6-V10 WeakPolarHBondContact O-CG2 3.5Å; L6-V10 PolarHBondContact O-N 2.75Å; L6-L163 HydrophobicContact CB-CD1 4.49Å; L6-L163 HydrophobicContact CD2-CB 3.83Å; L6-L163 HydrophobicContact CD2-CD1 3.88Å; L6-L163 HydrophobicContact CD2-CG 4.5Å; L6-L163 HydrophobicContact CG-CB 4.47Å; L6-L163 HydrophobicContact CG-CD1 3.7Å; L6-V164 HydrophobicContact CD2-CG2 4.3Å; L6-W198 HydrophobicContact CD1-CZ2 4.33Å; L6-F213 HydrophobicContact CD1-CE1 3.77Å; L6-F213 HydrophobicContact CD1-CZ 3.93Å; L6-F213 HydrophobicContact CD2-CE1 4.12Å; L6-M254 HydrophobicContact CB-CE 4.31Å
7T89.5Confident83.7Confident14 Ų1425.2 Ų25.29%0.08615%0.147CC..Hα-helixtrans-62.5-48.4176.3-59.20000110.9L9 V10 N11 S160T7-L9 VanDerWaalsContact C-N 3.35Å; T7-V10 PolarHBondContact O-N 2.99Å; T7-N11 WeakPolarHBondContact O-CB 3.4Å; T7-N11 PolarHBondContact O-N 2.79Å; T7-N11 PolarHBondContact O-ND2 3.01Å; T7-S160 WeakPolarHBondContact OG1-CB 3.49Å
8S87.8Confident84.2Confident19 Ų1926.7 Ų26.713%0.13316%0.155CC..Hα-helixtrans-61.3-43.9175.155.60000111.3G5 V10 N11 E12 Q251 D640G5-S8 PolarHBondContact O-OG 3.34Å; S8-V10 VanDerWaalsContact C-N 3.34Å; S8-V10 PolarHBondContact O-N 3Å; S8-N11 PolarHBondContact O-N 3.03Å; S8-E12 WeakPolarHBondContact O-CB 3.36Å; S8-E12 VanDerWaalsContact O-CG 3.28Å; S8-E12 WeakPolarHBondContact O-CG 3.45Å; S8-E12 PolarHBondContact O-N 3.22Å; S8-Q251 PolarHBondContact OG-NE2 3.1Å; S8-D640 VanDerWaalsContact CB-CG 3.46Å; S8-D640 WeakPolarHBondContact CB-OD1 3.43Å; S8-D640 WeakPolarHBondContact CB-OD2 3.22Å; S8-D640 PolarHBondContact N-OD2 2.96Å; S8-D640 PolarHBondContact OG-OD1 3.23Å; S8-D640 PolarHBondContact OG-OD2 2.77Å
9L88.2Confident84.8Confident0 Ų033.2 Ų33.20%019%0.189CC..Hα-helixtrans-56.5-47.4177-176.562.4000111.7G5 L6 T7 N13 W198 I244 Q251 M254 V255G5-L9 VanDerWaalsContact O-CB 3.24Å; G5-L9 WeakPolarHBondContact O-CB 3.14Å; G5-L9 PolarHBondContact O-N 3.05Å; L6-L9 HydrophobicContact CD1-CD2 4.3Å; L6-L9 PolarHBondContact O-N 3.28Å; T7-L9 VanDerWaalsContact C-N 3.35Å; L9-N13 WeakPolarHBondContact O-CB 3.45Å; L9-N13 PolarHBondContact O-ND2 3.38Å; L9-W198 HydrophobicContact CD2-CH2 3.85Å; L9-W198 HydrophobicContact CD2-CZ2 4.36Å; L9-W198 HydrophobicContact CG-CH2 4.32Å; L9-I244 HydrophobicContact CD1-CG2 4.29Å; L9-Q251 HydrophobicContact CB-CG 4.11Å; L9-Q251 HydrophobicContact CD1-CB 4.03Å; L9-Q251 HydrophobicContact CD1-CG 4.03Å; L9-M254 HydrophobicContact CD2-CB 4.06Å; L9-M254 HydrophobicContact CD2-SD 3.81Å; L9-V255 HydrophobicContact CD1-CG2 4.23Å; L9-V255 HydrophobicContact CD2-CG2 4.4Å
10V89.8Confident85.3Confident2 Ų235.5 Ų35.51%0.01220%0.195CC..Hα-helixtrans-65.7-42.41791680000111.3L6 T7 S8 E12 N13 L16 L17 L163 Y193 W198L6-V10 HydrophobicContact CD1-CG2 4.36Å; L6-V10 WeakPolarHBondContact O-CG2 3.5Å; L6-V10 PolarHBondContact O-N 2.75Å; T7-V10 PolarHBondContact O-N 2.99Å; S8-V10 VanDerWaalsContact C-N 3.34Å; S8-V10 PolarHBondContact O-N 3Å; V10-E12 PolarHBondContact O-N 3.35Å; V10-N13 PolarHBondContact O-N 3.43Å; V10-L16 HydrophobicContact CG1-CB 4.18Å; V10-L16 HydrophobicContact CG2-CD1 4.3Å; V10-L17 HydrophobicContact CG1-CB 3.94Å; V10-L163 HydrophobicContact CG1-CD2 4.44Å; V10-L163 HydrophobicContact CG2-CD1 4.09Å; V10-L163 HydrophobicContact CG2-CD2 4.3Å; V10-Y193 HydrophobicContact CG1-CD2 4.17Å; V10-Y193 HydrophobicContact CG2-CD2 4.46Å; V10-Y193 HydrophobicContact CG2-CE2 4.4Å; V10-W198 HydrophobicContact CG2-CZ2 4.44Å
11N86.6Confident85.7Confident72 Ų7239.8 Ų39.839%0.38521%0.213SC..Hα-helixtrans-67.4-33.4-179.6-68.3-21.6000113.4T7 S8 N13 L17T7-N11 WeakPolarHBondContact O-CB 3.4Å; T7-N11 PolarHBondContact O-N 2.79Å; T7-N11 PolarHBondContact O-ND2 3.01Å; S8-N11 PolarHBondContact O-N 3.03Å; N11-N13 PolarHBondContact O-N 3.03Å; N11-L17 WeakPolarHBondContact OD1-CD2 3.41Å
12E85.6Confident87.6Confident77 Ų7738.9 Ų38.936%0.3621%0.209SC..THydrogen-bonded Turntrans-77.8-4.1179.2-72.4171.5-17100113.4S8 V10 T245 Q251S8-E12 WeakPolarHBondContact O-CB 3.36Å; S8-E12 VanDerWaalsContact O-CG 3.28Å; S8-E12 WeakPolarHBondContact O-CG 3.45Å; S8-E12 PolarHBondContact O-N 3.22Å; V10-E12 PolarHBondContact O-N 3.35Å; E12-T245 PolarHBondContact O-OG1 3.25Å; E12-Q251 PolarHBondContact OE2-NE2 2.94Å; E12-Q251 VanDerWaalsContact OE2-NE2 3.11Å; E12-Q251 PolarHBondContact OE2-OE1 3.36Å
13N86.4Confident88.7Confident1 Ų142.6 Ų42.61%0.00522%0.223CC..  trans-127.989.8-173.1-73.6-67.4000110.9L9 V10 N11 G15 L16 I244 T245L9-N13 WeakPolarHBondContact O-CB 3.45Å; L9-N13 PolarHBondContact O-ND2 3.38Å; V10-N13 PolarHBondContact O-N 3.43Å; N11-N13 PolarHBondContact O-N 3.03Å; N13-G15 PolarHBondContact O-N 3.3Å; N13-L16 HydrophobicContact CB-CD1 3.81Å; N13-L16 HydrophobicContact CB-CG 4.17Å; N13-L16 WeakPolarHBondContact O-CB 3.45Å; N13-L16 PolarHBondContact O-N 3.21Å; N13-I244 WeakPolarHBondContact OD1-CA 3.41Å; N13-I244 WeakPolarHBondContact OD1-CG2 3.28Å; N13-T245 PolarHBondContact ND2-O 3.05Å; N13-T245 PolarHBondContact OD1-N 3.01Å
14P78.9Confident89.4Confident106 Ų10645.9 Ų45.969%0.68825%0.247SC*.THydrogen-bonded Turntrans-54.2-29.4-170.4-29.535.2000115.9L16 L17P14-L16 VanDerWaalsContact C-N 3.25Å; P14-L16 PolarHBondContact O-N 2.96Å; P14-L17 CarbonylContact O-C 3.58Å; P14-L17 PolarHBondContact O-N 3.47Å
15G86.7Confident90.5Very high28 Ų2845.3 Ų45.329%0.28925%0.249SC..THydrogen-bonded Turntrans-76.2-9177.800000114.7N13 N197N13-G15 PolarHBondContact O-N 3.3Å; G15-N197 WeakPolarHBondContact O-CB 3.49Å
16L91.2Very high91.2Very high0 Ų049.2 Ų49.20%027%0.266CS..THydrogen-bonded Turntrans-88-27.6174.1-66.5177.2000112.6V10 N13 P14 Y193 N197 W198 F201V10-L16 HydrophobicContact CG1-CB 4.18Å; V10-L16 HydrophobicContact CG2-CD1 4.3Å; N13-L16 HydrophobicContact CB-CD1 3.81Å; N13-L16 HydrophobicContact CB-CG 4.17Å; N13-L16 WeakPolarHBondContact O-CB 3.45Å; N13-L16 PolarHBondContact O-N 3.21Å; P14-L16 VanDerWaalsContact C-N 3.25Å; P14-L16 PolarHBondContact O-N 2.96Å; L16-Y193 VanDerWaalsContact O-CD2 3.32Å; L16-Y193 WeakPolarHBondContact O-CD2 3.38Å; L16-N197 HydrophobicContact CD2-CB 4.2Å; L16-N197 PolarHBondContact O-ND2 3.38Å; L16-W198 HydrophobicContact CD1-CD2 4.37Å; L16-W198 HydrophobicContact CD1-CE3 4.27Å; L16-W198 HydrophobicContact CD1-CH2 3.42Å; L16-W198 VanDerWaalsContact CD1-CH2 3.42Å; L16-W198 HydrophobicContact CD1-CZ2 3.53Å; L16-W198 HydrophobicContact CD1-CZ3 3.82Å; L16-W198 HydrophobicContact CD2-CD2 3.59Å; L16-W198 HydrophobicContact CD2-CE3 3.76Å; L16-W198 HydrophobicContact CD2-CG 3.99Å; L16-W198 HydrophobicContact CD2-CH2 4.37Å; L16-W198 HydrophobicContact CD2-CZ2 4.23Å; L16-W198 HydrophobicContact CD2-CZ3 4.15Å; L16-F201 HydrophobicContact CD2-CD2 3.6Å; L16-F201 HydrophobicContact CD2-CE2 3.57Å; L16-F201 HydrophobicContact CG-CD2 4.2Å; L16-F201 HydrophobicContact CG-CE2 3.76Å
17L93.2Very high91.6Very high26 Ų2649.1 Ų49.114%0.13627%0.265CS..EExtended strand (participates in β ladder)trans-125.8100.3-177.4-174.664.7000109.3V10 N11 P14 P173V10-L17 HydrophobicContact CG1-CB 3.94Å; N11-L17 WeakPolarHBondContact OD1-CD2 3.41Å; P14-L17 CarbonylContact O-C 3.58Å; P14-L17 PolarHBondContact O-N 3.47Å; L17-P173 HydrophobicContact CD1-CG 3.97Å
18N93.3Very high92.1Very high53 Ų5348.5 Ų48.528%0.28326%0.261SS..EExtended strand (participates in β ladder)trans-91.3149.4-172.8-54.4-55.7000111.4S191 I192 N197N18-S191 CarbonylContact O-C 3.58Å; N18-S191 WeakPolarHBondContact O-CA 3.38Å; N18-S191 WeakPolarHBondContact O-CB 3.48Å; N18-I192 PolarHBondContact N-O 3.46Å; N18-I192 PolarHBondContact O-N 2.96Å; N18-N197 PolarHBondContact ND2-ND2 2.8Å; N18-N197 PolarHBondContact ND2-OD1 3.14Å
19D94.2Very high92.6Very high149 Ų14947.6 Ų47.680%0.79726%0.255SS*.EExtended strand (participates in β ladder)trans-58.4141.2167.7-66.2-25000111.3
20Y95Very high93Very high80 Ų8048.2 Ų48.231%0.31426%0.258SS..EExtended strand (participates in β ladder)trans-147.9147.3-174.2-173.3-109.6000112L22 I172 C190 I192Y20-L22 HydrophobicContact CD1-CB 4.17Å; Y20-L22 HydrophobicContact CE1-CB 3.9Å; Y20-L22 HydrophobicContact CE1-CD1 3.94Å; Y20-I172 HydrophobicContact CD1-CD1 4.23Å; Y20-I172 HydrophobicContact CE1-CD1 4.23Å; Y20-C190 PolarHBondContact N-O 3.13Å; Y20-C190 PolarHBondContact O-N 2.86Å; Y20-I192 HydrophobicContact CD1-CB 4.25Å; Y20-I192 HydrophobicContact CD1-CD1 4.08Å; Y20-I192 HydrophobicContact CD2-CB 4.38Å; Y20-I192 HydrophobicContact CD2-CD1 4.31Å; Y20-I192 HydrophobicContact CD2-CG2 3.8Å; Y20-I192 HydrophobicContact CE1-CD1 4.06Å; Y20-I192 HydrophobicContact CE2-CD1 4.3Å; Y20-I192 HydrophobicContact CG-CB 3.89Å; Y20-I192 HydrophobicContact CG-CD1 4.21Å; Y20-I192 HydrophobicContact CG-CG2 3.74Å
21Q94.9Very high93.3Very high125 Ų12548.1 Ų48.158%0.58426%0.257SS*.EExtended strand (participates in β ladder)trans-113.4103.8173.1-71.2-167-32.100109.4K23 A187 N189Q21-K23 PolarHBondContact O-N 3.45Å; Q21-A187 HydrophobicContact CB-CB 4.1Å; Q21-N189 PolarHBondContact NE2-OD1 3.46Å
22L96.2Very high93.5Very high1 Ų146.1 Ų46.11%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-77.9115.7177.9179.970.1000110.1Y20 T25 V27 V71 I156 I172 A187 I188Y20-L22 HydrophobicContact CD1-CB 4.17Å; Y20-L22 HydrophobicContact CE1-CB 3.9Å; Y20-L22 HydrophobicContact CE1-CD1 3.94Å; L22-T25 HydrophobicContact CD1-CG2 3.45Å; L22-T25 VanDerWaalsContact CD1-CG2 3.45Å; L22-T25 HydrophobicContact CG-CG2 4.48Å; L22-V27 HydrophobicContact CD1-CG1 3.67Å; L22-V27 HydrophobicContact CD2-CG1 4.06Å; L22-V27 HydrophobicContact CG-CG1 4.44Å; L22-V71 HydrophobicContact CD1-CG2 4.46Å; L22-V71 HydrophobicContact CD2-CG1 4.28Å; L22-V71 HydrophobicContact CD2-CG2 4.14Å; L22-V71 HydrophobicContact CG-CG2 3.8Å; L22-I156 HydrophobicContact CD2-CD1 4.14Å; L22-I172 HydrophobicContact CD1-CD1 4.04Å; L22-I172 HydrophobicContact CD2-CD1 4.32Å; L22-A187 WeakPolarHBondContact O-CA 3.38Å; L22-I188 HydrophobicContact CB-CB 4.29Å; L22-I188 HydrophobicContact CD2-CD1 4.47Å; L22-I188 PolarHBondContact N-O 3.27Å; L22-I188 PolarHBondContact O-N 3.49Å
23K96Very high93.7Very high84 Ų8443.6 Ų43.637%0.36524%0.239SC..  trans-156146.5-175.8174.9173.3-170.9177.90111.7Q21 T25 A69 D186 A187Q21-K23 PolarHBondContact O-N 3.45Å; K23-T25 VanDerWaalsContact C-N 3.32Å; K23-T25 PolarHBondContact O-N 2.59Å; K23-A69 CarbonylContact C-O 3.45Å; K23-A69 WeakPolarHBondContact CA-O 3.38Å; K23-D186 WeakPolarHBondContact CD-O 3.33Å; K23-D186 VanDerWaalsContact CE-CG 3.41Å; K23-D186 VanDerWaalsContact CE-O 3.28Å; K23-D186 WeakPolarHBondContact CE-O 3.25Å; K23-D186 WeakPolarHBondContact CE-OD2 3.28Å; K23-D186 WeakPolarHBondContact CG-O 3.4Å; K23-D186 IonicContact NZ-OD1 3.56Å; K23-D186 PolarHBondContact NZ-OD1 3.05Å; K23-D186 IonicContact NZ-OD2 3.65Å; K23-D186 PolarHBondContact NZ-OD2 2.95Å; K23-A187 HydrophobicContact CB-CB 4.01Å; K23-A187 HydrophobicContact CD-CB 4.17Å
24S96.3Very high94Very high70 Ų7043.7 Ų43.749%0.4924%0.239SC..SBendtrans46.749.8168.6-66.60000114A69 N70S24-A69 PolarHBondContact N-O 3.38Å; S24-N70 VanDerWaalsContact CA-O 3.28Å; S24-N70 WeakPolarHBondContact CA-O 3.24Å; S24-N70 PolarHBondContact OG-ND2 3.45Å
25T97.8Very high94.4Very high37 Ų3738.6 Ų38.623%0.22721%0.206CC..SBendtrans-148.6162.8-176.2-170.30000111.2L22 K23 V27 N70 V71 T72L22-T25 HydrophobicContact CD1-CG2 3.45Å; L22-T25 VanDerWaalsContact CD1-CG2 3.45Å; L22-T25 HydrophobicContact CG-CG2 4.48Å; K23-T25 VanDerWaalsContact C-N 3.32Å; K23-T25 PolarHBondContact O-N 2.59Å; T25-V27 HydrophobicContact CG2-CG1 4.38Å; T25-N70 PolarHBondContact N-O 2.87Å; T25-V71 CarbonylContact O-C 3.55Å; T25-V71 VanDerWaalsContact O-CA 3.3Å; T25-V71 WeakPolarHBondContact O-CA 3.41Å; T25-T72 PolarHBondContact O-N 3.01Å
26H98.4Very high94.6Very high88 Ų8841.8 Ų41.841%0.40721%0.21SC..EExtended strand (participates in β ladder)trans-74.3158.3163.5-69.4-83.4000110T72 C153H26-T72 VanDerWaalsContact CA-O 3.32Å; H26-T72 WeakPolarHBondContact CA-O 3.45Å; H26-C153 HydrophobicContact CB-CB 3.8Å; H26-C153 WeakPolarHBondContact O-CB 3.45Å
27V98.6Very high94.5Very high0 Ų042.5 Ų42.50%021%0.213CC..EExtended strand (participates in β ladder)trans-142.8143.8165.2-690000109.1L22 T25 I29 V71 T72 P73 L74 P154 I156L22-V27 HydrophobicContact CD1-CG1 3.67Å; L22-V27 HydrophobicContact CD2-CG1 4.06Å; L22-V27 HydrophobicContact CG-CG1 4.44Å; T25-V27 HydrophobicContact CG2-CG1 4.38Å; V27-I29 HydrophobicContact CB-CG1 4.42Å; V27-I29 HydrophobicContact CG2-CD1 3.86Å; V27-I29 HydrophobicContact CG2-CG1 3.83Å; V27-V71 HydrophobicContact CB-CG1 4.3Å; V27-V71 HydrophobicContact CG1-CG1 3.87Å; V27-V71 HydrophobicContact CG2-CG1 3.48Å; V27-V71 VanDerWaalsContact CG2-CG1 3.48Å; V27-T72 PolarHBondContact N-O 3.31Å; V27-T72 VanDerWaalsContact N-O 3.08Å; V27-P73 HydrophobicContact CG2-CB 4.05Å; V27-P73 CarbonylContact O-C 3.56Å; V27-P73 WeakPolarHBondContact O-CA 3.37Å; V27-L74 PolarHBondContact O-N 2.79Å; V27-P154 WeakPolarHBondContact CA-O 3.4Å; V27-I156 HydrophobicContact CB-CD1 4.17Å; V27-I156 HydrophobicContact CG1-CD1 4.2Å; V27-I156 HydrophobicContact CG2-CD1 4.14Å
28V98.8Very high94.5Very high0 Ų041.3 Ų41.30%021%0.207CC..EExtended strand (participates in β ladder)trans-100.3125.4167.7-170.10000108.2L74 V76 I144 C147 A148 L151 P154 V155 I156V28-L74 WeakPolarHBondContact CA-O 3.06Å; V28-L74 HydrophobicContact CG1-CD2 4.3Å; V28-L74 HydrophobicContact CG2-CD2 4.29Å; V28-V76 HydrophobicContact CG1-CG2 3.54Å; V28-I144 HydrophobicContact CB-CG2 4.39Å; V28-I144 HydrophobicContact CG1-CB 4.23Å; V28-I144 HydrophobicContact CG1-CG1 4.26Å; V28-I144 HydrophobicContact CG1-CG2 3.85Å; V28-C147 HydrophobicContact CG1-CB 4.5Å; V28-C147 HydrophobicContact CG2-CB 4.16Å; V28-A148 HydrophobicContact CB-CB 4.21Å; V28-A148 HydrophobicContact CG2-CB 3.86Å; V28-L151 HydrophobicContact CG2-CD1 4.13Å; V28-P154 PolarHBondContact N-O 2.94Å; V28-V155 CarbonylContact O-C 3.46Å; V28-V155 VanDerWaalsContact O-CA 3.29Å; V28-V155 WeakPolarHBondContact O-CA 3.49Å; V28-I156 PolarHBondContact O-N 3.4Å
29I98.5Very high94.3Very high1 Ų138.8 Ų38.81%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-117.1130-174.1-50.3-173.5000109.1V27 G31 L34 F62 L66 P73 L74 F75 V76 I156V27-I29 HydrophobicContact CB-CG1 4.42Å; V27-I29 HydrophobicContact CG2-CD1 3.86Å; V27-I29 HydrophobicContact CG2-CG1 3.83Å; I29-G31 PolarHBondContact O-N 3.47Å; I29-L34 HydrophobicContact CG2-CB 4.21Å; I29-L34 HydrophobicContact CG2-CD2 3.82Å; I29-L34 HydrophobicContact CG2-CG 4.44Å; I29-F62 HydrophobicContact CD1-CZ 4.48Å; I29-L66 HydrophobicContact CD1-CD1 4.14Å; I29-P73 HydrophobicContact CD1-CB 3.74Å; I29-P73 HydrophobicContact CG1-CB 4.33Å; I29-L74 PolarHBondContact N-O 3.13Å; I29-F75 HydrophobicContact CB-CD1 4.01Å; I29-F75 HydrophobicContact CB-CE1 4.33Å; I29-F75 HydrophobicContact CD1-CD1 4.31Å; I29-F75 HydrophobicContact CD1-CE1 3.77Å; I29-F75 HydrophobicContact CD1-CZ 4.3Å; I29-F75 HydrophobicContact CG2-CD1 4.26Å; I29-F75 HydrophobicContact CG2-CE1 4.43Å; I29-V76 PolarHBondContact O-N 2.99Å; I29-I156 WeakPolarHBondContact CA-O 3.45Å; I29-I156 HydrophobicContact CD1-CD1 4.07Å; I29-I156 HydrophobicContact CG1-CB 4.16Å; I29-I156 HydrophobicContact CG1-CD1 4.14Å; I29-I156 HydrophobicContact CG2-CB 4.25Å; I29-I156 HydrophobicContact CG2-CG2 4.37Å
30D96.9Very high94.1Very high12 Ų1234.3 Ų34.36%0.06417%0.169CC..EExtended strand (participates in β ladder)trans-66.199.6165172-0.1000109.5T32 S33 L34 I144 I156 S157D30-T32 VanDerWaalsContact C-N 3.35Å; D30-T32 PolarHBondContact OD1-N 2.91Å; D30-S33 PolarHBondContact O-OG 3.24Å; D30-S33 PolarHBondContact OD1-N 3.29Å; D30-S33 PolarHBondContact OD1-OG 2.96Å; D30-S33 WeakPolarHBondContact OD2-CB 3.11Å; D30-S33 PolarHBondContact OD2-OG 3.35Å; D30-L34 VanDerWaalsContact O-CB 3.24Å; D30-L34 WeakPolarHBondContact O-CB 3.32Å; D30-L34 PolarHBondContact O-N 3.24Å; D30-L34 VanDerWaalsContact O-N 3.08Å; D30-I144 HydrophobicContact CB-CD1 3.83Å; D30-I156 PolarHBondContact N-O 3.17Å; D30-S157 PolarHBondContact OD2-OG 3.33Å
31G95.3Very high93.9Very high0 Ų033 Ų330%017%0.172CC..Hα-helixtrans-68.8-32.5-175.800000112.9I29 A35 V76 F77I29-G31 PolarHBondContact O-N 3.47Å; G31-A35 PolarHBondContact O-N 2.88Å; G31-V76 PolarHBondContact N-O 2.86Å; G31-F77 WeakPolarHBondContact O-CE1 3.44Å
32T90.7Very high93.6Very high30 Ų3029.8 Ų29.818%0.18416%0.155CC..Hα-helixtrans-64.7-49.9179.6-49.20000110.1D30 Y36 D78D30-T32 VanDerWaalsContact C-N 3.35Å; D30-T32 PolarHBondContact OD1-N 2.91Å; T32-Y36 WeakPolarHBondContact O-CD2 3.46Å; T32-D78 WeakPolarHBondContact CB-OD2 3.43Å; T32-D78 WeakPolarHBondContact CG2-OD2 3.45Å; T32-D78 PolarHBondContact OG1-N 3.49Å; T32-D78 VanDerWaalsContact OG1-N 3.1Å; T32-D78 PolarHBondContact OG1-OD2 2.89Å
33S90.2Very high93.4Very high25 Ų2538.7 Ų38.718%0.17519%0.193CC..Hα-helixtrans-72.5-3418070.80000112.4D30 A35 Y36 R37D30-S33 PolarHBondContact O-OG 3.24Å; D30-S33 PolarHBondContact OD1-N 3.29Å; D30-S33 PolarHBondContact OD1-OG 2.96Å; D30-S33 WeakPolarHBondContact OD2-CB 3.11Å; D30-S33 PolarHBondContact OD2-OG 3.35Å; S33-A35 PolarHBondContact O-N 2.87Å; S33-Y36 PolarHBondContact O-N 3.43Å; S33-R37 VanDerWaalsContact O-CG 3.3Å; S33-R37 WeakPolarHBondContact O-CG 3.2Å; S33-R37 PolarHBondContact O-N 3.28Å
34L93.4Very high93.1Very high2 Ų235.5 Ų35.51%0.0118%0.181CC..Hα-helixtrans-55.7-45-178.7176.562.3000113.1I29 D30 Y36 R37 I38 F62 F75 F122 F174I29-L34 HydrophobicContact CG2-CB 4.21Å; I29-L34 HydrophobicContact CG2-CD2 3.82Å; I29-L34 HydrophobicContact CG2-CG 4.44Å; D30-L34 VanDerWaalsContact O-CB 3.24Å; D30-L34 WeakPolarHBondContact O-CB 3.32Å; D30-L34 PolarHBondContact O-N 3.24Å; D30-L34 VanDerWaalsContact O-N 3.08Å; L34-Y36 PolarHBondContact O-N 2.94Å; L34-R37 PolarHBondContact O-N 3.49Å; L34-I38 HydrophobicContact CD1-CD1 3.8Å; L34-I38 HydrophobicContact CD1-CG1 3.78Å; L34-I38 HydrophobicContact CD2-CD1 4.23Å; L34-I38 HydrophobicContact CG-CD1 3.78Å; L34-I38 HydrophobicContact CG-CG1 4.18Å; L34-I38 PolarHBondContact O-N 3.29Å; L34-F62 HydrophobicContact CD1-CD1 4.44Å; L34-F62 HydrophobicContact CD1-CE1 3.89Å; L34-F62 HydrophobicContact CD1-CZ 3.96Å; L34-F62 HydrophobicContact CD2-CD1 4.38Å; L34-F62 HydrophobicContact CD2-CE1 3.71Å; L34-F62 HydrophobicContact CD2-CZ 4.39Å; L34-F62 HydrophobicContact CG-CE1 4.43Å; L34-F75 HydrophobicContact CD2-CD1 3.87Å; L34-F75 HydrophobicContact CD2-CE1 3.47Å; L34-F75 VanDerWaalsContact CD2-CE1 3.47Å; L34-F122 HydrophobicContact CB-CZ 4.41Å; L34-F122 HydrophobicContact CD2-CE2 4.22Å; L34-F122 HydrophobicContact CD2-CZ 3.66Å; L34-F122 HydrophobicContact CG-CE2 4.42Å; L34-F122 HydrophobicContact CG-CZ 3.97Å; L34-F174 HydrophobicContact CD1-CD2 3.61Å; L34-F174 HydrophobicContact CD1-CE2 3.08Å; L34-F174 HydrophobicContact CD1-CZ 3.8Å
35A87.8Confident92.8Very high0 Ų034.4 Ų34.40%017%0.168CC..Hα-helixtrans-58.5-46.4-177.200000112.3G31 S33 R37 F39 F119 F122G31-A35 PolarHBondContact O-N 2.88Å; S33-A35 PolarHBondContact O-N 2.87Å; A35-R37 VanDerWaalsContact C-N 3.26Å; A35-R37 PolarHBondContact O-N 2.87Å; A35-F39 PolarHBondContact O-N 3.15Å; A35-F119 HydrophobicContact CB-CD2 3.71Å; A35-F119 HydrophobicContact CB-CE2 3.64Å; A35-F122 HydrophobicContact CB-CB 4.33Å; A35-F122 HydrophobicContact CB-CD1 3.69Å; A35-F122 HydrophobicContact CB-CD2 4.42Å; A35-F122 HydrophobicContact CB-CE1 4.04Å; A35-F122 HydrophobicContact CB-CG 3.91Å
36Y89.9Confident92.3Very high94 Ų9433.1 Ų33.137%0.36916%0.16SC..Hα-helixtrans-60.1-38.7174.7-75.6-97.8000111.3T32 S33 L34 F39 L40 F112 L114T32-Y36 WeakPolarHBondContact O-CD2 3.46Å; S33-Y36 PolarHBondContact O-N 3.43Å; L34-Y36 PolarHBondContact O-N 2.94Å; Y36-F39 PolarHBondContact O-N 3.48Å; Y36-L40 WeakPolarHBondContact O-CG 3.4Å; Y36-L40 PolarHBondContact O-N 2.71Å; Y36-F112 HydrophobicContact CD1-CE1 4.07Å; Y36-L114 HydrophobicContact CD1-CB 4.01Å; Y36-L114 HydrophobicContact CD1-CD2 4.11Å; Y36-L114 HydrophobicContact CD1-CG 4.45Å; Y36-L114 HydrophobicContact CD2-CD2 4.14Å; Y36-L114 HydrophobicContact CE1-CB 3.54Å; Y36-L114 HydrophobicContact CE1-CD2 3.7Å; Y36-L114 HydrophobicContact CE1-CG 4.16Å; Y36-L114 HydrophobicContact CE2-CD2 3.73Å; Y36-L114 HydrophobicContact CG-CD2 4.31Å; Y36-L114 VanDerWaalsContact CZ-CD2 3.48Å
37R90.2Very high91.9Very high16 Ų1629.7 Ų29.76%0.0615%0.146CC..Hα-helixtrans-76-38-176-63.6-64.4150.9-170.314.6113.9S33 L34 A35 F39 L40 S41 M158 F174 N641 S642 F643S33-R37 VanDerWaalsContact O-CG 3.3Å; S33-R37 WeakPolarHBondContact O-CG 3.2Å; S33-R37 PolarHBondContact O-N 3.28Å; L34-R37 PolarHBondContact O-N 3.49Å; A35-R37 VanDerWaalsContact C-N 3.26Å; A35-R37 PolarHBondContact O-N 2.87Å; R37-F39 PolarHBondContact O-N 3.33Å; R37-L40 PolarHBondContact O-N 2.76Å; R37-S41 VanDerWaalsContact O-CB 3.24Å; R37-S41 WeakPolarHBondContact O-CB 3.28Å; R37-S41 PolarHBondContact O-N 3.34Å; R37-S41 PolarHBondContact O-OG 3.3Å; R37-M158 HydrophobicContact CG-CG 4.01Å; R37-F174 HydrophobicContact CB-CD1 3.46Å; R37-F174 VanDerWaalsContact CB-CD1 3.46Å; R37-F174 HydrophobicContact CB-CE1 3.48Å; R37-F174 VanDerWaalsContact CB-CE1 3.48Å; R37-F174 HydrophobicContact CB-CG 4.09Å; R37-F174 HydrophobicContact CB-CZ 4.13Å; R37-F174 HydrophobicContact CG-CD1 4.01Å; R37-F174 HydrophobicContact CG-CG 4.42Å; R37-N641 PolarHBondContact NH2-OD1 2.88Å; R37-S642 PolarHBondContact NH1-OG 2.85Å; R37-F643 VanDerWaalsContact CZ-CE2 3.5Å
38I92.1Very high91.6Very high0 Ų029.8 Ų29.80%015%0.146CC..Hα-helixtrans-58-45171.7-69.4172000109.1L34 L40 S41 Y42 F55 A58 T59 F62 F122 F174L34-I38 HydrophobicContact CD1-CD1 3.8Å; L34-I38 HydrophobicContact CD1-CG1 3.78Å; L34-I38 HydrophobicContact CD2-CD1 4.23Å; L34-I38 HydrophobicContact CG-CD1 3.78Å; L34-I38 HydrophobicContact CG-CG1 4.18Å; L34-I38 PolarHBondContact O-N 3.29Å; I38-L40 PolarHBondContact O-N 3.33Å; I38-S41 PolarHBondContact O-N 2.73Å; I38-Y42 HydrophobicContact CG2-CD2 3.9Å; I38-Y42 HydrophobicContact CG2-CE2 4.29Å; I38-Y42 WeakPolarHBondContact O-CB 3.48Å; I38-Y42 WeakPolarHBondContact O-CD2 3.33Å; I38-Y42 PolarHBondContact O-N 3.47Å; I38-F55 HydrophobicContact CB-CE2 4.12Å; I38-F55 HydrophobicContact CG2-CD2 4.36Å; I38-F55 HydrophobicContact CG2-CE2 3.84Å; I38-A58 HydrophobicContact CG2-CB 3.86Å; I38-T59 HydrophobicContact CD1-CG2 4.15Å; I38-F62 HydrophobicContact CD1-CB 4.25Å; I38-F62 HydrophobicContact CD1-CD1 3.89Å; I38-F62 HydrophobicContact CD1-CG 4.17Å; I38-F62 HydrophobicContact CG1-CG 4.45Å; I38-F122 HydrophobicContact CD1-CE2 3.85Å; I38-F174 HydrophobicContact CG1-CZ 4.3Å
39F89.8Confident91.3Very high1 Ų129.9 Ų29.90%0.00415%0.147CC..Hα-helixtrans-58.5-48.6-179.1-155.9-71.5000111.9A35 Y36 R37 K43 V44 C46 F55 F112 L114 P115A35-F39 PolarHBondContact O-N 3.15Å; Y36-F39 PolarHBondContact O-N 3.48Å; R37-F39 PolarHBondContact O-N 3.33Å; F39-K43 PolarHBondContact O-N 3.43Å; F39-V44 HydrophobicContact CD1-CB 3.81Å; F39-V44 HydrophobicContact CD2-CB 4.25Å; F39-V44 HydrophobicContact CD2-CG1 4.37Å; F39-V44 HydrophobicContact CE1-CB 3.63Å; F39-V44 HydrophobicContact CE1-CG1 3.95Å; F39-V44 WeakPolarHBondContact CE1-O 3.36Å; F39-V44 HydrophobicContact CE2-CB 4.08Å; F39-V44 HydrophobicContact CE2-CG1 3.79Å; F39-V44 HydrophobicContact CG-CB 4.11Å; F39-V44 HydrophobicContact CZ-CB 3.77Å; F39-V44 HydrophobicContact CZ-CG1 3.55Å; F39-V44 PolarHBondContact O-N 3.38Å; F39-C46 HydrophobicContact CE1-CB 3.62Å; F39-C46 HydrophobicContact CZ-CB 3.82Å; F39-F55 HydrophobicContact CB-CD2 4.1Å; F39-F55 HydrophobicContact CB-CE2 3.79Å; F39-F55 HydrophobicContact CD2-CB 4.36Å; F39-F55 AromaticContact CD2-CD2 3.36Å; F39-F55 HydrophobicContact CD2-CD2 3.36Å; F39-F55 AromaticContact CD2-CE2 3.71Å; F39-F55 HydrophobicContact CD2-CE2 3.71Å; F39-F55 AromaticContact CD2-CG 3.84Å; F39-F55 HydrophobicContact CD2-CG 3.84Å; F39-F55 HydrophobicContact CD2-CZ 4.44Å; F39-F55 HydrophobicContact CE2-CB 4.25Å; F39-F55 HydrophobicContact CE2-CD2 4.1Å; F39-F55 HydrophobicContact CE2-CG 4.18Å; F39-F55 HydrophobicContact CG-CD2 4.07Å; F39-F55 HydrophobicContact CG-CE2 4.2Å; F39-F112 HydrophobicContact CB-CE2 4.49Å; F39-F112 HydrophobicContact CB-CZ 4.05Å; F39-F112 HydrophobicContact CD1-CD2 4.12Å; F39-F112 AromaticContact CD1-CE2 3.19Å; F39-F112 HydrophobicContact CD1-CE2 3.19Å; F39-F112 AromaticContact CD1-CZ 3.61Å; F39-F112 HydrophobicContact CD1-CZ 3.61Å; F39-F112 HydrophobicContact CE1-CD2 4.27Å; F39-F112 AromaticContact CE1-CE2 3.44Å; F39-F112 HydrophobicContact CE1-CE2 3.44Å; F39-F112 VanDerWaalsContact CE1-CE2 3.44Å; F39-F112 HydrophobicContact CE1-CZ 4.24Å; F39-F112 AromaticContact CG-CE2 3.88Å; F39-F112 HydrophobicContact CG-CE2 3.88Å; F39-F112 AromaticContact CG-CZ 3.84Å; F39-F112 HydrophobicContact CG-CZ 3.84Å; F39-F112 HydrophobicContact CZ-CE2 4.31Å; F39-L114 HydrophobicContact CB-CD1 4.26Å; F39-L114 HydrophobicContact CD2-CD1 3.9Å; F39-L114 HydrophobicContact CG-CD1 4.16Å; F39-P115 HydrophobicContact CE2-CG 3.77Å; F39-P115 HydrophobicContact CZ-CG 3.69Å
40L89.2Confident91Very high55 Ų5529.9 Ų29.929%0.28815%0.147SC..Hα-helixtrans-68.7-46.8179.7-71.4171000113Y36 R37 I38 Y42 K43 F112 F643Y36-L40 WeakPolarHBondContact O-CG 3.4Å; Y36-L40 PolarHBondContact O-N 2.71Å; R37-L40 PolarHBondContact O-N 2.76Å; I38-L40 PolarHBondContact O-N 3.33Å; L40-Y42 PolarHBondContact O-N 3.11Å; L40-K43 WeakPolarHBondContact O-CA 3.48Å; L40-K43 PolarHBondContact O-N 3.21Å; L40-F112 HydrophobicContact CD1-CD1 4.34Å; L40-F112 HydrophobicContact CD2-CB 3.85Å; L40-F112 HydrophobicContact CD2-CD1 3.63Å; L40-F112 HydrophobicContact CD2-CD2 4.12Å; L40-F112 HydrophobicContact CD2-CE1 4.15Å; L40-F112 HydrophobicContact CD2-CG 3.58Å; L40-F112 HydrophobicContact CG-CD1 4.05Å; L40-F112 HydrophobicContact CG-CE1 4.14Å; L40-F112 HydrophobicContact CG-CG 4.44Å; L40-F643 HydrophobicContact CD1-CE1 3.72Å; L40-F643 HydrophobicContact CD1-CZ 3.76Å
41S90.4Very high90.9Very high52 Ų5229.9 Ų29.936%0.36415%0.147SC..Hα-helixtrans-72.3-33.7-170.8-47.50000111.9R37 I38 K43R37-S41 VanDerWaalsContact O-CB 3.24Å; R37-S41 WeakPolarHBondContact O-CB 3.28Å; R37-S41 PolarHBondContact O-N 3.34Å; R37-S41 PolarHBondContact O-OG 3.3Å; I38-S41 PolarHBondContact O-N 2.73Å; S41-K43 PolarHBondContact O-N 3.37Å
42Y89.8Confident91Very high58 Ų5829.9 Ų29.923%0.22715%0.147CC..THydrogen-bonded Turntrans-84.23.3170.5-73.6-94.7000113.2I38 L40 V44 A58 F62 R65 L179I38-Y42 HydrophobicContact CG2-CD2 3.9Å; I38-Y42 HydrophobicContact CG2-CE2 4.29Å; I38-Y42 WeakPolarHBondContact O-CB 3.48Å; I38-Y42 WeakPolarHBondContact O-CD2 3.33Å; I38-Y42 PolarHBondContact O-N 3.47Å; L40-Y42 PolarHBondContact O-N 3.11Å; Y42-V44 PolarHBondContact O-N 2.89Å; Y42-A58 HydrophobicContact CD1-CB 3.93Å; Y42-A58 HydrophobicContact CD2-CB 3.99Å; Y42-A58 HydrophobicContact CG-CB 3.57Å; Y42-F62 HydrophobicContact CE2-CB 4.32Å; Y42-F62 PolarHBondContact OH-N 2.89Å; Y42-R65 PolarHBondContact OH-NE 3.23Å; Y42-L179 HydrophobicContact CD2-CD1 4.23Å; Y42-L179 HydrophobicContact CE2-CD1 3.83Å; Y42-L179 HydrophobicContact CE2-CD2 4.22Å
43K90.4Very high91.2Very high187 Ų18732 Ų3281%0.81316%0.157SC*.THydrogen-bonded Turntrans50.342.9178.5-57.3178.9-178.31770112.4F39 L40 S41 E45F39-K43 PolarHBondContact O-N 3.43Å; L40-K43 WeakPolarHBondContact O-CA 3.48Å; L40-K43 PolarHBondContact O-N 3.21Å; S41-K43 PolarHBondContact O-N 3.37Å; K43-E45 PolarHBondContact O-N 3.49Å
44V91.5Very high91.5Very high17 Ų1733 Ų3310%0.10317%0.166CC..  trans-63.4136.2179-177.20000108.4F39 Y42 C46 E51 A54 F55 A58F39-V44 HydrophobicContact CD1-CB 3.81Å; F39-V44 HydrophobicContact CD2-CB 4.25Å; F39-V44 HydrophobicContact CD2-CG1 4.37Å; F39-V44 HydrophobicContact CE1-CB 3.63Å; F39-V44 HydrophobicContact CE1-CG1 3.95Å; F39-V44 WeakPolarHBondContact CE1-O 3.36Å; F39-V44 HydrophobicContact CE2-CB 4.08Å; F39-V44 HydrophobicContact CE2-CG1 3.79Å; F39-V44 HydrophobicContact CG-CB 4.11Å; F39-V44 HydrophobicContact CZ-CB 3.77Å; F39-V44 HydrophobicContact CZ-CG1 3.55Å; F39-V44 PolarHBondContact O-N 3.38Å; Y42-V44 PolarHBondContact O-N 2.89Å; V44-C46 PolarHBondContact O-N 2.8Å; V44-E51 HydrophobicContact CG1-CB 4.31Å; V44-A54 HydrophobicContact CG1-CB 4.11Å; V44-F55 HydrophobicContact CG1-CB 4.19Å; V44-F55 HydrophobicContact CG2-CD2 4.38Å; V44-A58 HydrophobicContact CG2-CB 3.98Å
45E89.9Confident91.6Very high47 Ų4732.9 Ų32.922%0.2217%0.166CC..  trans-70.8127.2-179.8178.360.8-100.200110.2K43 S47 F48 E51 K495 K547K43-E45 PolarHBondContact O-N 3.49Å; E45-S47 WeakPolarHBondContact OE1-CB 3.48Å; E45-S47 PolarHBondContact OE1-N 3.01Å; E45-S47 PolarHBondContact OE1-OG 3.47Å; E45-F48 HydrophobicContact CG-CD2 4.45Å; E45-E51 HydrophobicContact CB-CG 4.07Å; E45-E51 HydrophobicContact CG-CG 4.42Å; E45-E51 WeakPolarHBondContact O-CG 3.46Å; E45-K495 IonicContact OE1-NZ 3.75Å; E45-K495 WeakPolarHBondContact OE2-CD 3.34Å; E45-K495 VanDerWaalsContact OE2-CE 3.27Å; E45-K495 WeakPolarHBondContact OE2-CE 3.43Å; E45-K495 IonicContact OE2-NZ 3.5Å; E45-K495 PolarHBondContact OE2-NZ 3.34Å; E45-K547 HydrophobicContact CG-CD 4.49Å
46C87.3Confident92.1Very high10 Ų1034.8 Ų34.87%0.06817%0.174CC..  trans-116.3-14.1179.156.10000113.5F39 V44 F48 C49 F112 P115 L353F39-C46 HydrophobicContact CE1-CB 3.62Å; F39-C46 HydrophobicContact CZ-CB 3.82Å; V44-C46 PolarHBondContact O-N 2.8Å; C46-F48 PolarHBondContact O-N 3.38Å; C46-C49 PolarHBondContact O-N 3Å; C46-C49 VanDerWaalsContact O-N 3.1Å; C46-F112 HydrophobicContact CB-CD2 4.16Å; C46-F112 HydrophobicContact CB-CE2 4.09Å; C46-P115 HydrophobicContact CB-CG 4.17Å; C46-L353 WeakPolarHBondContact O-CD1 3.47Å
47S88.9Confident92.4Very high16 Ų1634.6 Ų34.611%0.11218%0.179CC..THydrogen-bonded Turntrans-63.4-14.2-169.7-45.70000113.3E45 Y507E45-S47 WeakPolarHBondContact OE1-CB 3.48Å; E45-S47 PolarHBondContact OE1-N 3.01Å; E45-S47 PolarHBondContact OE1-OG 3.47Å; S47-Y507 VanDerWaalsContact O-CE2 3.26Å; S47-Y507 WeakPolarHBondContact O-CE2 3.29Å; S47-Y507 VanDerWaalsContact O-CZ 3.3Å; S47-Y507 PolarHBondContact O-OH 3Å
48F91.9Very high92.6Very high2 Ų234.1 Ų34.11%0.00918%0.179CC..THydrogen-bonded Turntrans-111.631.9179.5-65-89.7000112.9E45 C46 G50 K495 P496 I498 Y507 G546 K547 F550E45-F48 HydrophobicContact CG-CD2 4.45Å; C46-F48 PolarHBondContact O-N 3.38Å; F48-G50 VanDerWaalsContact C-N 3.29Å; F48-G50 PolarHBondContact O-N 3.11Å; F48-K495 HydrophobicContact CE2-CG 3.96Å; F48-P496 HydrophobicContact CD1-CG 4.41Å; F48-P496 HydrophobicContact CE1-CB 4.34Å; F48-P496 HydrophobicContact CE1-CG 3.62Å; F48-P496 HydrophobicContact CE2-CG 4.43Å; F48-P496 HydrophobicContact CZ-CB 4.18Å; F48-P496 VanDerWaalsContact CZ-CD 3.49Å; F48-P496 HydrophobicContact CZ-CG 3.64Å; F48-I498 HydrophobicContact CE1-CD1 4.31Å; F48-I498 HydrophobicContact CZ-CD1 4.16Å; F48-Y507 HydrophobicContact CD1-CD2 4.06Å; F48-Y507 AromaticContact CD1-CE2 3.81Å; F48-Y507 HydrophobicContact CD1-CE2 3.81Å; F48-Y507 AromaticContact CE1-CD2 3.69Å; F48-Y507 HydrophobicContact CE1-CD2 3.69Å; F48-Y507 AromaticContact CE1-CE2 3.66Å; F48-Y507 HydrophobicContact CE1-CE2 3.66Å; F48-Y507 HydrophobicContact CG-CE2 4.46Å; F48-Y507 HydrophobicContact CZ-CD2 4.45Å; F48-Y507 HydrophobicContact CZ-CE2 4.2Å; F48-G546 WeakPolarHBondContact O-CA 3.49Å; F48-K547 HydrophobicContact CB-CG 4.39Å; F48-K547 HydrophobicContact CD2-CG 3.84Å; F48-K547 HydrophobicContact CE2-CG 4.42Å; F48-K547 HydrophobicContact CG-CG 4.12Å; F48-F550 HydrophobicContact CD1-CB 3.98Å; F48-F550 HydrophobicContact CD1-CD1 4.12Å; F48-F550 HydrophobicContact CD1-CG 4.05Å; F48-F550 HydrophobicContact CE1-CB 4.42Å; F48-F550 AromaticContact CE1-CD1 3.69Å; F48-F550 HydrophobicContact CE1-CD1 3.69Å; F48-F550 HydrophobicContact CE1-CE1 4.05Å; F48-F550 HydrophobicContact CE1-CG 4.06Å
49C92.2Very high92.7Very high2 Ų234.1 Ų34.11%0.01418%0.179CC..SBendtrans71.113.2175.5-43.50000116C46 V511 N515 Q518 F544C46-C49 PolarHBondContact O-N 3Å; C46-C49 VanDerWaalsContact O-N 3.1Å; C49-V511 WeakPolarHBondContact SG-CA 3.48Å; C49-V511 WeakPolarHBondContact SG-CG1 3.38Å; C49-V511 PolarHBondContact SG-O 2.61Å; C49-V511 VanDerWaalsContact SG-O 3.38Å; C49-N515 PolarHBondContact SG-ND2 2.68Å; C49-Q518 PolarHBondContact O-NE2 3.4Å; C49-Q518 PolarHBondContact O-OE1 2.97Å; C49-F544 HydrophobicContact CB-CE1 4.45Å; C49-F544 HydrophobicContact CB-CZ 4.33Å
50G92.9Very high93Very high1 Ų136 Ų361%0.0119%0.189CC..  trans131.2127.517100000114.6F48 F544 G546F48-G50 VanDerWaalsContact C-N 3.29Å; F48-G50 PolarHBondContact O-N 3.11Å; G50-F544 WeakPolarHBondContact O-CE1 3.39Å; G50-G546 PolarHBondContact O-N 2.91Å
51E95.4Very high93.2Very high13 Ų1335.4 Ų35.46%0.06119%0.189CC..  trans-113.171.5168.4-68.4-62.4153.300109.2V44 E45 L53 A54 F55 S545 G546 K547V44-E51 HydrophobicContact CG1-CB 4.31Å; E45-E51 HydrophobicContact CB-CG 4.07Å; E45-E51 HydrophobicContact CG-CG 4.42Å; E45-E51 WeakPolarHBondContact O-CG 3.46Å; E51-L53 PolarHBondContact O-N 3.03Å; E51-A54 HydrophobicContact CB-CB 4.05Å; E51-A54 WeakPolarHBondContact O-CB 2.87Å; E51-A54 PolarHBondContact O-N 3.36Å; E51-A54 VanDerWaalsContact O-N 3.1Å; E51-F55 PolarHBondContact O-N 3.27Å; E51-S545 PolarHBondContact OE1-OG 2.87Å; E51-S545 PolarHBondContact OE2-OG 3Å; E51-G546 PolarHBondContact OE1-N 3.15Å; E51-K547 WeakPolarHBondContact OE1-CB 3.21Å; E51-K547 WeakPolarHBondContact OE1-CE 3.44Å; E51-K547 VanDerWaalsContact OE1-CG 3.28Å; E51-K547 WeakPolarHBondContact OE1-CG 3.47Å; E51-K547 PolarHBondContact OE1-N 3.43Å
52Y97Very high93.4Very high0 Ų033.1 Ų33.10%017%0.173CC..Hα-helixtrans-65.5-34.1-166.9-64-59.3000114.5F55 K56 P115 L117 A118 V121 Q518 V540 F544Y52-F55 PolarHBondContact O-N 3.08Å; Y52-K56 WeakPolarHBondContact O-CB 3.33Å; Y52-K56 PolarHBondContact O-N 2.97Å; Y52-P115 HydrophobicContact CE1-CB 3.82Å; Y52-P115 WeakPolarHBondContact OH-CB 3.36Å; Y52-L117 HydrophobicContact CE1-CB 3.89Å; Y52-L117 HydrophobicContact CE2-CB 4.26Å; Y52-L117 HydrophobicContact CE2-CD1 4.43Å; Y52-L117 PolarHBondContact OH-N 2.75Å; Y52-L117 VanDerWaalsContact OH-N 3.08Å; Y52-A118 HydrophobicContact CE1-CB 4.22Å; Y52-V121 HydrophobicContact CD1-CG2 3.86Å; Y52-V121 HydrophobicContact CG-CG2 4.15Å; Y52-Q518 VanDerWaalsContact CZ-OE1 3.25Å; Y52-Q518 PolarHBondContact OH-OE1 2.98Å; Y52-V540 HydrophobicContact CD1-CG1 4.33Å; Y52-V540 HydrophobicContact CD2-CB 4.3Å; Y52-V540 HydrophobicContact CD2-CG1 3.93Å; Y52-V540 HydrophobicContact CD2-CG2 3.44Å; Y52-V540 VanDerWaalsContact CD2-CG2 3.44Å; Y52-V540 HydrophobicContact CE2-CG1 4.48Å; Y52-V540 HydrophobicContact CE2-CG2 3.66Å; Y52-V540 HydrophobicContact CG-CG1 3.83Å; Y52-V540 HydrophobicContact CG-CG2 4.22Å; Y52-F544 HydrophobicContact CD2-CB 4.42Å; Y52-F544 AromaticContact CD2-CD1 3.81Å; Y52-F544 HydrophobicContact CD2-CD1 3.81Å; Y52-F544 AromaticContact CE2-CD1 3.58Å; Y52-F544 HydrophobicContact CE2-CD1 3.58Å; Y52-F544 HydrophobicContact CE2-CE1 4.22Å
53L96Very high93.6Very high74 Ų7430.8 Ų30.839%0.38716%0.164SC..Hα-helixtrans-64.8-41.2172.8-179.459.9000111.7E51 F55 K56 N57E51-L53 PolarHBondContact O-N 3.03Å; L53-F55 VanDerWaalsContact C-N 3.33Å; L53-K56 PolarHBondContact O-N 2.98Å; L53-N57 VanDerWaalsContact O-CG 3.25Å; L53-N57 PolarHBondContact O-N 3.31Å; L53-N57 PolarHBondContact O-ND2 3.11Å
54A95.6Very high93.7Very high45 Ų4524.9 Ų24.937%0.37214%0.142SC..Hα-helixtrans-65-40.4175.800000111V44 E51 N57 A58V44-A54 HydrophobicContact CG1-CB 4.11Å; E51-A54 HydrophobicContact CB-CB 4.05Å; E51-A54 WeakPolarHBondContact O-CB 2.87Å; E51-A54 PolarHBondContact O-N 3.36Å; E51-A54 VanDerWaalsContact O-N 3.1Å; A54-N57 PolarHBondContact O-N 2.69Å; A54-A58 PolarHBondContact O-N 3.12Å
55F96.1Very high93.7Very high0 Ų026 Ų260%014%0.144CC..Hα-helixtrans-64.4-43.2174.8-175.3-120.2000112.8I38 F39 V44 E51 Y52 L53 N57 A58 T59 A118 V121 F122I38-F55 HydrophobicContact CB-CE2 4.12Å; I38-F55 HydrophobicContact CG2-CD2 4.36Å; I38-F55 HydrophobicContact CG2-CE2 3.84Å; F39-F55 HydrophobicContact CB-CD2 4.1Å; F39-F55 HydrophobicContact CB-CE2 3.79Å; F39-F55 HydrophobicContact CD2-CB 4.36Å; F39-F55 AromaticContact CD2-CD2 3.36Å; F39-F55 HydrophobicContact CD2-CD2 3.36Å; F39-F55 AromaticContact CD2-CE2 3.71Å; F39-F55 HydrophobicContact CD2-CE2 3.71Å; F39-F55 AromaticContact CD2-CG 3.84Å; F39-F55 HydrophobicContact CD2-CG 3.84Å; F39-F55 HydrophobicContact CD2-CZ 4.44Å; F39-F55 HydrophobicContact CE2-CB 4.25Å; F39-F55 HydrophobicContact CE2-CD2 4.1Å; F39-F55 HydrophobicContact CE2-CG 4.18Å; F39-F55 HydrophobicContact CG-CD2 4.07Å; F39-F55 HydrophobicContact CG-CE2 4.2Å; V44-F55 HydrophobicContact CG1-CB 4.19Å; V44-F55 HydrophobicContact CG2-CD2 4.38Å; E51-F55 PolarHBondContact O-N 3.27Å; Y52-F55 PolarHBondContact O-N 3.08Å; L53-F55 VanDerWaalsContact C-N 3.33Å; F55-N57 VanDerWaalsContact C-N 3.3Å; F55-N57 PolarHBondContact O-N 3.1Å; F55-A58 WeakPolarHBondContact O-CB 3.25Å; F55-A58 PolarHBondContact O-N 3.23Å; F55-T59 PolarHBondContact O-N 3.18Å; F55-T59 PolarHBondContact O-OG1 3.12Å; F55-A118 HydrophobicContact CD1-CB 4.27Å; F55-A118 HydrophobicContact CE1-CB 4.18Å; F55-A118 WeakPolarHBondContact CE1-O 3.35Å; F55-V121 HydrophobicContact CD1-CB 4.23Å; F55-V121 HydrophobicContact CD1-CG1 4Å; F55-F122 HydrophobicContact CE1-CB 4.01Å; F55-F122 HydrophobicContact CZ-CB 4.38Å
56K97Very high94Very high41 Ų4123.9 Ų23.918%0.17813%0.134CC..Hα-helixtrans-55.4-44.9172174.8175.7176.31760111.7Y52 L53 T59 L60 V121 L125 T541Y52-K56 WeakPolarHBondContact O-CB 3.33Å; Y52-K56 PolarHBondContact O-N 2.97Å; L53-K56 PolarHBondContact O-N 2.98Å; K56-T59 PolarHBondContact O-N 3.08Å; K56-L60 HydrophobicContact CG-CD1 4.28Å; K56-L60 WeakPolarHBondContact O-CB 3.49Å; K56-L60 WeakPolarHBondContact O-CG 3.17Å; K56-L60 PolarHBondContact O-N 3.34Å; K56-V121 HydrophobicContact CB-CG1 4.02Å; K56-L125 HydrophobicContact CG-CD2 4.28Å; K56-T541 HydrophobicContact CB-CG2 4.07Å; K56-T541 HydrophobicContact CD-CG2 3.85Å
57N96.2Very high94.3Very high89 Ų8929.6 Ų29.648%0.47615%0.154SC..Hα-helixtrans-66.5-39.8178.3-69-19.8000112.6L53 A54 F55 L60 S61L53-N57 VanDerWaalsContact O-CG 3.25Å; L53-N57 PolarHBondContact O-N 3.31Å; L53-N57 PolarHBondContact O-ND2 3.11Å; A54-N57 PolarHBondContact O-N 2.69Å; F55-N57 VanDerWaalsContact C-N 3.3Å; F55-N57 PolarHBondContact O-N 3.1Å; N57-L60 PolarHBondContact O-N 3.34Å; N57-S61 WeakPolarHBondContact O-CB 3.24Å; N57-S61 PolarHBondContact O-N 2.96Å
58A94.9Very high94.5Very high6 Ų635.4 Ų35.45%0.0518%0.178CC..Hα-helixtrans-60.5-46.8174.100000111.5I38 Y42 V44 A54 F55 S61 F62I38-A58 HydrophobicContact CG2-CB 3.86Å; Y42-A58 HydrophobicContact CD1-CB 3.93Å; Y42-A58 HydrophobicContact CD2-CB 3.99Å; Y42-A58 HydrophobicContact CG-CB 3.57Å; V44-A58 HydrophobicContact CG2-CB 3.98Å; A54-A58 PolarHBondContact O-N 3.12Å; F55-A58 WeakPolarHBondContact O-CB 3.25Å; F55-A58 PolarHBondContact O-N 3.23Å; A58-S61 WeakPolarHBondContact O-CB 3.43Å; A58-S61 PolarHBondContact O-N 3.39Å; A58-F62 PolarHBondContact O-N 3.25Å
59T95.3Very high94.6Very high0 Ų035.4 Ų35.40%018%0.178CC..Hα-helixtrans-63.7-44.8176.5-57.70000111.8I38 F55 K56 S61 F62 L63 F122 L125I38-T59 HydrophobicContact CD1-CG2 4.15Å; F55-T59 PolarHBondContact O-N 3.18Å; F55-T59 PolarHBondContact O-OG1 3.12Å; K56-T59 PolarHBondContact O-N 3.08Å; T59-S61 VanDerWaalsContact C-N 3.27Å; T59-S61 PolarHBondContact O-N 3.42Å; T59-F62 WeakPolarHBondContact O-CB 3.27Å; T59-F62 PolarHBondContact O-N 2.86Å; T59-F62 VanDerWaalsContact O-N 3.16Å; T59-L63 HydrophobicContact CG2-CD1 4.13Å; T59-L63 HydrophobicContact CG2-CG 4.29Å; T59-L63 WeakPolarHBondContact O-CG 3.4Å; T59-L63 PolarHBondContact O-N 3.18Å; T59-F122 HydrophobicContact CG2-CD2 3.65Å; T59-F122 HydrophobicContact CG2-CE2 3.7Å; T59-L125 HydrophobicContact CG2-CD2 3.43Å; T59-L125 VanDerWaalsContact CG2-CD2 3.43Å; T59-L125 HydrophobicContact CG2-CG 4.42Å
60L95.4Very high94.7Very high41 Ų4140.2 Ų40.222%0.21520%0.203CC..Hα-helixtrans-58.2-40.4174.4-83.9172.7000112K56 N57 L63 N64 L125 Q129K56-L60 HydrophobicContact CG-CD1 4.28Å; K56-L60 WeakPolarHBondContact O-CB 3.49Å; K56-L60 WeakPolarHBondContact O-CG 3.17Å; K56-L60 PolarHBondContact O-N 3.34Å; N57-L60 PolarHBondContact O-N 3.34Å; L60-L63 PolarHBondContact O-N 2.88Å; L60-N64 WeakPolarHBondContact O-CB 3.43Å; L60-N64 PolarHBondContact O-N 2.99Å; L60-N64 PolarHBondContact O-ND2 3.02Å; L60-N64 VanDerWaalsContact O-ND2 3.14Å; L60-L125 HydrophobicContact CD2-CD1 3.81Å; L60-L125 HydrophobicContact CD2-CD2 4.33Å; L60-L125 HydrophobicContact CD2-CG 4.49Å; L60-L125 HydrophobicContact CG-CD1 3.98Å; L60-L125 HydrophobicContact CG-CD2 3.91Å; L60-Q129 HydrophobicContact CD2-CG 4.46Å
61S93.1Very high94.9Very high43 Ų4340.5 Ų40.530%0.30121%0.205SC..Hα-helixtrans-59.5-47.4175.7-167.10000111.1N57 A58 T59 N64 R65N57-S61 WeakPolarHBondContact O-CB 3.24Å; N57-S61 PolarHBondContact O-N 2.96Å; A58-S61 WeakPolarHBondContact O-CB 3.43Å; A58-S61 PolarHBondContact O-N 3.39Å; T59-S61 VanDerWaalsContact C-N 3.27Å; T59-S61 PolarHBondContact O-N 3.42Å; S61-N64 PolarHBondContact O-N 3.32Å; S61-R65 WeakPolarHBondContact O-CG 3.42Å; S61-R65 PolarHBondContact O-N 3.35Å
62F93.6Very high95.1Very high3 Ų342.3 Ų42.31%0.01322%0.217CC..Hα-helixtrans-60.2-49.5175.3176.6-102.9000112.9I29 L34 I38 Y42 A58 T59 N64 R65 L66 F174 I177 L179I29-F62 HydrophobicContact CD1-CZ 4.48Å; L34-F62 HydrophobicContact CD1-CD1 4.44Å; L34-F62 HydrophobicContact CD1-CE1 3.89Å; L34-F62 HydrophobicContact CD1-CZ 3.96Å; L34-F62 HydrophobicContact CD2-CD1 4.38Å; L34-F62 HydrophobicContact CD2-CE1 3.71Å; L34-F62 HydrophobicContact CD2-CZ 4.39Å; L34-F62 HydrophobicContact CG-CE1 4.43Å; I38-F62 HydrophobicContact CD1-CB 4.25Å; I38-F62 HydrophobicContact CD1-CD1 3.89Å; I38-F62 HydrophobicContact CD1-CG 4.17Å; I38-F62 HydrophobicContact CG1-CG 4.45Å; Y42-F62 HydrophobicContact CE2-CB 4.32Å; Y42-F62 PolarHBondContact OH-N 2.89Å; A58-F62 PolarHBondContact O-N 3.25Å; T59-F62 WeakPolarHBondContact O-CB 3.27Å; T59-F62 PolarHBondContact O-N 2.86Å; T59-F62 VanDerWaalsContact O-N 3.16Å; F62-N64 VanDerWaalsContact C-N 3.29Å; F62-N64 PolarHBondContact O-N 3.41Å; F62-R65 WeakPolarHBondContact O-CB 3.44Å; F62-R65 PolarHBondContact O-N 2.98Å; F62-R65 VanDerWaalsContact O-N 3.1Å; F62-L66 HydrophobicContact CD1-CD1 4.31Å; F62-L66 HydrophobicContact CE1-CD1 3.66Å; F62-L66 HydrophobicContact CE1-CG 4.31Å; F62-L66 HydrophobicContact CZ-CD1 3.94Å; F62-L66 HydrophobicContact CZ-CD2 4.35Å; F62-L66 HydrophobicContact CZ-CG 4.26Å; F62-L66 PolarHBondContact O-N 2.9Å; F62-F174 HydrophobicContact CD2-CE2 4.28Å; F62-F174 HydrophobicContact CD2-CZ 4.49Å; F62-F174 AromaticContact CE2-CE2 3.67Å; F62-F174 HydrophobicContact CE2-CE2 3.67Å; F62-F174 HydrophobicContact CE2-CZ 4.29Å; F62-F174 AromaticContact CZ-CE2 3.96Å; F62-F174 HydrophobicContact CZ-CE2 3.96Å; F62-I177 HydrophobicContact CE2-CD1 4.5Å; F62-L179 HydrophobicContact CD2-CD2 4.25Å
63L94.7Very high95.1Very high9 Ų943.3 Ų43.35%0.04722%0.223CC..Hα-helixtrans-62.2-37.2178.5-64.2177.7000112.2T59 L60 R65 L66 R67 F75 L125 L126 Q129T59-L63 HydrophobicContact CG2-CD1 4.13Å; T59-L63 HydrophobicContact CG2-CG 4.29Å; T59-L63 WeakPolarHBondContact O-CG 3.4Å; T59-L63 PolarHBondContact O-N 3.18Å; L60-L63 PolarHBondContact O-N 2.88Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 PolarHBondContact O-N 2.63Å; L63-L66 HydrophobicContact CD2-CD1 4.46Å; L63-L66 PolarHBondContact O-N 3.22Å; L63-R67 PolarHBondContact O-N 3.4Å; L63-F75 HydrophobicContact CD2-CE1 4.49Å; L63-F75 HydrophobicContact CD2-CE2 4.28Å; L63-F75 HydrophobicContact CD2-CZ 3.61Å; L63-L125 HydrophobicContact CD1-CD2 4.45Å; L63-L125 HydrophobicContact CD1-CG 4.37Å; L63-L126 HydrophobicContact CD1-CD2 4.13Å; L63-L126 HydrophobicContact CD2-CD2 4.03Å; L63-Q129 HydrophobicContact CD1-CB 4.45Å; L63-Q129 HydrophobicContact CD1-CG 3.98Å
64N92.7Very high95.2Very high64 Ų6440.2 Ų40.234%0.34221%0.207SC..Hα-helixtrans-65.5-33.9175.7-72.9-22.9000112.1L60 S61 F62 R67 K68L60-N64 WeakPolarHBondContact O-CB 3.43Å; L60-N64 PolarHBondContact O-N 2.99Å; L60-N64 PolarHBondContact O-ND2 3.02Å; L60-N64 VanDerWaalsContact O-ND2 3.14Å; S61-N64 PolarHBondContact O-N 3.32Å; F62-N64 VanDerWaalsContact C-N 3.29Å; F62-N64 PolarHBondContact O-N 3.41Å; N64-R67 PolarHBondContact O-N 3.04Å; N64-R67 PolarHBondContact OD1-NH1 3Å; N64-K68 WeakPolarHBondContact O-CB 3.37Å; N64-K68 VanDerWaalsContact O-CG 3.3Å; N64-K68 WeakPolarHBondContact O-CG 3.49Å; N64-K68 PolarHBondContact O-N 3.06Å
65R92.1Very high95.4Very high39 Ų3938.1 Ų38.115%0.14719%0.19CC..Hα-helixtrans-62.9-49.4173.4-69.5169.7-179.2-69.4-6.7110.9Y42 S61 F62 L63 R67 K68 A69 L179 D181 I188Y42-R65 PolarHBondContact OH-NE 3.23Å; S61-R65 WeakPolarHBondContact O-CG 3.42Å; S61-R65 PolarHBondContact O-N 3.35Å; F62-R65 WeakPolarHBondContact O-CB 3.44Å; F62-R65 PolarHBondContact O-N 2.98Å; F62-R65 VanDerWaalsContact O-N 3.1Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 PolarHBondContact O-N 2.63Å; R65-R67 VanDerWaalsContact C-N 3.3Å; R65-R67 PolarHBondContact O-N 3.19Å; R65-K68 PolarHBondContact O-N 3.2Å; R65-A69 PolarHBondContact O-N 3.21Å; R65-L179 PolarHBondContact NH2-O 3.21Å; R65-D181 VanDerWaalsContact CZ-O 3.24Å; R65-D181 PolarHBondContact NH1-O 3.37Å; R65-D181 PolarHBondContact NH2-O 3.01Å; R65-I188 HydrophobicContact CB-CD1 4.2Å; R65-I188 HydrophobicContact CB-CG1 4.46Å
66L94.8Very high95.4Very high3 Ų338.1 Ų38.12%0.01619%0.19CC..Hα-helixtrans-55.5-47.5175.7-63.6176.9000111I29 F62 L63 K68 A69 N70 V71 P73 F75 I188I29-L66 HydrophobicContact CD1-CD1 4.14Å; F62-L66 HydrophobicContact CD1-CD1 4.31Å; F62-L66 HydrophobicContact CE1-CD1 3.66Å; F62-L66 HydrophobicContact CE1-CG 4.31Å; F62-L66 HydrophobicContact CZ-CD1 3.94Å; F62-L66 HydrophobicContact CZ-CD2 4.35Å; F62-L66 HydrophobicContact CZ-CG 4.26Å; F62-L66 PolarHBondContact O-N 2.9Å; L63-L66 HydrophobicContact CD2-CD1 4.46Å; L63-L66 PolarHBondContact O-N 3.22Å; L66-K68 PolarHBondContact O-N 3.13Å; L66-A69 CarbonylContact O-C 3.58Å; L66-A69 PolarHBondContact O-N 3.21Å; L66-N70 PolarHBondContact O-N 2.91Å; L66-V71 HydrophobicContact CB-CB 4.23Å; L66-V71 HydrophobicContact CD2-CB 4.14Å; L66-V71 HydrophobicContact CD2-CG1 3.87Å; L66-V71 WeakPolarHBondContact O-CB 3.17Å; L66-V71 PolarHBondContact O-N 2.95Å; L66-P73 HydrophobicContact CD1-CB 4.15Å; L66-P73 HydrophobicContact CD1-CG 4.03Å; L66-F75 HydrophobicContact CD1-CZ 4.46Å; L66-I188 HydrophobicContact CD2-CD1 3.79Å
67R93.9Very high95.3Very high131 Ų13136.1 Ų36.149%0.49418%0.181SC..Hα-helixtrans-61.6-46.1179.3-169.3-177.6-60.1113.4-2.3112.8L63 N64 R65 A69 N70L63-R67 PolarHBondContact O-N 3.4Å; N64-R67 PolarHBondContact O-N 3.04Å; N64-R67 PolarHBondContact OD1-NH1 3Å; R65-R67 VanDerWaalsContact C-N 3.3Å; R65-R67 PolarHBondContact O-N 3.19Å; R67-A69 VanDerWaalsContact C-N 3.26Å; R67-A69 PolarHBondContact O-N 3Å; R67-N70 PolarHBondContact O-N 3.01Å
68K92.7Very high95.1Very high138 Ų13833.8 Ų33.860%0.617%0.168SC*.Hα-helixtrans-61.3-36.1178.4-77.1177.9179.3-176.60112.1N64 R65 L66 N70N64-K68 WeakPolarHBondContact O-CB 3.37Å; N64-K68 VanDerWaalsContact O-CG 3.3Å; N64-K68 WeakPolarHBondContact O-CG 3.49Å; N64-K68 PolarHBondContact O-N 3.06Å; R65-K68 PolarHBondContact O-N 3.2Å; L66-K68 PolarHBondContact O-N 3.13Å; K68-N70 PolarHBondContact O-N 2.74Å
69A94.1Very high94.8Very high1 Ų134 Ų341%0.00817%0.172CC..THydrogen-bonded Turntrans-81.87.7175.100000114K23 S24 R65 L66 R67 V71 D186 I188K23-A69 CarbonylContact C-O 3.45Å; K23-A69 WeakPolarHBondContact CA-O 3.38Å; S24-A69 PolarHBondContact N-O 3.38Å; R65-A69 PolarHBondContact O-N 3.21Å; L66-A69 CarbonylContact O-C 3.58Å; L66-A69 PolarHBondContact O-N 3.21Å; R67-A69 VanDerWaalsContact C-N 3.26Å; R67-A69 PolarHBondContact O-N 3Å; A69-V71 HydrophobicContact CB-CG2 3.9Å; A69-V71 PolarHBondContact O-N 3.37Å; A69-D186 WeakPolarHBondContact CA-O 3.43Å; A69-I188 HydrophobicContact CB-CD1 4.02Å; A69-I188 HydrophobicContact CB-CG1 3.81Å
70N95.8Very high93.8Very high103 Ų10334.3 Ų34.355%0.55117%0.174SC*.THydrogen-bonded Turntrans53.636.2-176-170.140.4000112.9S24 T25 L66 R67 K68S24-N70 VanDerWaalsContact CA-O 3.28Å; S24-N70 WeakPolarHBondContact CA-O 3.24Å; S24-N70 PolarHBondContact OG-ND2 3.45Å; T25-N70 PolarHBondContact N-O 2.87Å; L66-N70 PolarHBondContact O-N 2.91Å; R67-N70 PolarHBondContact O-N 3.01Å; K68-N70 PolarHBondContact O-N 2.74Å
71V97.4Very high92.7Very high7 Ų734.3 Ų34.34%0.04217%0.173CC..  trans-92.5127.7177.7176.90000109.3L22 T25 V27 L66 A69 P73L22-V71 HydrophobicContact CD1-CG2 4.46Å; L22-V71 HydrophobicContact CD2-CG1 4.28Å; L22-V71 HydrophobicContact CD2-CG2 4.14Å; L22-V71 HydrophobicContact CG-CG2 3.8Å; T25-V71 CarbonylContact O-C 3.55Å; T25-V71 VanDerWaalsContact O-CA 3.3Å; T25-V71 WeakPolarHBondContact O-CA 3.41Å; V27-V71 HydrophobicContact CB-CG1 4.3Å; V27-V71 HydrophobicContact CG1-CG1 3.87Å; V27-V71 HydrophobicContact CG2-CG1 3.48Å; V27-V71 VanDerWaalsContact CG2-CG1 3.48Å; L66-V71 HydrophobicContact CB-CB 4.23Å; L66-V71 HydrophobicContact CD2-CB 4.14Å; L66-V71 HydrophobicContact CD2-CG1 3.87Å; L66-V71 WeakPolarHBondContact O-CB 3.17Å; L66-V71 PolarHBondContact O-N 2.95Å; A69-V71 HydrophobicContact CB-CG2 3.9Å; A69-V71 PolarHBondContact O-N 3.37Å; V71-P73 VanDerWaalsContact O-CD 3.28Å; V71-P73 WeakPolarHBondContact O-CD 3.5Å
72T97.8Very high91.5Very high51 Ų5136.8 Ų36.831%0.31318%0.183SC..EExtended strand (participates in β ladder)trans-103.7102178.9-60.40000110.3T25 H26 V27T25-T72 PolarHBondContact O-N 3.01Å; H26-T72 VanDerWaalsContact CA-O 3.32Å; H26-T72 WeakPolarHBondContact CA-O 3.45Å; V27-T72 PolarHBondContact N-O 3.31Å; V27-T72 VanDerWaalsContact N-O 3.08Å
73P98.1Very high90.1Very high21 Ų2139 Ų3914%0.13619%0.193CC..EExtended strand (participates in β ladder)trans-79.3143.7-179.132.7-36000112.4V27 I29 L66 V71 F75 N132V27-P73 HydrophobicContact CG2-CB 4.05Å; V27-P73 CarbonylContact O-C 3.56Å; V27-P73 WeakPolarHBondContact O-CA 3.37Å; I29-P73 HydrophobicContact CD1-CB 3.74Å; I29-P73 HydrophobicContact CG1-CB 4.33Å; L66-P73 HydrophobicContact CD1-CB 4.15Å; L66-P73 HydrophobicContact CD1-CG 4.03Å; V71-P73 VanDerWaalsContact O-CD 3.28Å; V71-P73 WeakPolarHBondContact O-CD 3.5Å; P73-F75 HydrophobicContact CB-CD2 4.23Å; P73-F75 HydrophobicContact CB-CE1 4.28Å; P73-F75 HydrophobicContact CB-CE2 3.63Å; P73-F75 HydrophobicContact CB-CZ 3.65Å; P73-F75 HydrophobicContact CG-CD2 4.36Å; P73-F75 HydrophobicContact CG-CE2 3.45Å; P73-F75 VanDerWaalsContact CG-CE2 3.45Å; P73-F75 HydrophobicContact CG-CZ 3.67Å; P73-N132 PolarHBondContact O-ND2 3Å
74L98.5Very high88.7Confident10 Ų1047.6 Ų47.65%0.05223%0.226CC..EExtended strand (participates in β ladder)trans-109.2111.9155.7172.865.6000107.5V27 V28 I29 V76 N132 L134 C147 L151 V303V27-L74 PolarHBondContact O-N 2.79Å; V28-L74 WeakPolarHBondContact CA-O 3.06Å; V28-L74 HydrophobicContact CG1-CD2 4.3Å; V28-L74 HydrophobicContact CG2-CD2 4.29Å; I29-L74 PolarHBondContact N-O 3.13Å; L74-V76 HydrophobicContact CD2-CG2 4.13Å; L74-V76 HydrophobicContact CG-CG2 3.96Å; L74-N132 HydrophobicContact CD1-CB 3.98Å; L74-L134 HydrophobicContact CD1-CB 4.29Å; L74-C147 HydrophobicContact CD2-CB 3.89Å; L74-L151 HydrophobicContact CD2-CD1 4.16Å; L74-V303 HydrophobicContact CD1-CG1 4.26Å; L74-V303 HydrophobicContact CD2-CG2 3.73Å
75F98.1Very high87.6Confident0 Ų045.8 Ų45.80%022%0.222CC..EExtended strand (participates in β ladder)trans-86.4120.2174.7-58.9-83.7000109.2I29 L34 L63 L66 P73 F77 L126 N132 V133 L134I29-F75 HydrophobicContact CB-CD1 4.01Å; I29-F75 HydrophobicContact CB-CE1 4.33Å; I29-F75 HydrophobicContact CD1-CD1 4.31Å; I29-F75 HydrophobicContact CD1-CE1 3.77Å; I29-F75 HydrophobicContact CD1-CZ 4.3Å; I29-F75 HydrophobicContact CG2-CD1 4.26Å; I29-F75 HydrophobicContact CG2-CE1 4.43Å; L34-F75 HydrophobicContact CD2-CD1 3.87Å; L34-F75 HydrophobicContact CD2-CE1 3.47Å; L34-F75 VanDerWaalsContact CD2-CE1 3.47Å; L63-F75 HydrophobicContact CD2-CE1 4.49Å; L63-F75 HydrophobicContact CD2-CE2 4.28Å; L63-F75 HydrophobicContact CD2-CZ 3.61Å; L66-F75 HydrophobicContact CD1-CZ 4.46Å; P73-F75 HydrophobicContact CB-CD2 4.23Å; P73-F75 HydrophobicContact CB-CE1 4.28Å; P73-F75 HydrophobicContact CB-CE2 3.63Å; P73-F75 HydrophobicContact CB-CZ 3.65Å; P73-F75 HydrophobicContact CG-CD2 4.36Å; P73-F75 HydrophobicContact CG-CE2 3.45Å; P73-F75 VanDerWaalsContact CG-CE2 3.45Å; P73-F75 HydrophobicContact CG-CZ 3.67Å; F75-F77 HydrophobicContact CB-CD2 4.44Å; F75-F77 HydrophobicContact CB-CE2 3.67Å; F75-F77 HydrophobicContact CB-CZ 4.27Å; F75-L126 HydrophobicContact CB-CD1 4.33Å; F75-L126 HydrophobicContact CD1-CD1 4.42Å; F75-L126 HydrophobicContact CD2-CD1 4.2Å; F75-L126 HydrophobicContact CD2-CD2 4.01Å; F75-L126 HydrophobicContact CE1-CD2 4.31Å; F75-L126 HydrophobicContact CE2-CD2 3.7Å; F75-L126 HydrophobicContact CG-CD1 4.06Å; F75-L126 HydrophobicContact CG-CD2 4.45Å; F75-L126 HydrophobicContact CZ-CD2 3.87Å; F75-N132 PolarHBondContact N-O 3.27Å; F75-V133 HydrophobicContact CB-CG2 4.36Å; F75-V133 CarbonylContact O-C 3.53Å; F75-V133 WeakPolarHBondContact O-CA 3.28Å; F75-L134 PolarHBondContact O-N 2.8Å
76V97.8Very high86.3Confident0 Ų047.8 Ų47.80%024%0.242CC..EExtended strand (participates in β ladder)trans-111.8131.2177-169.20000108.7V28 I29 G31 L74 L134 A140 T143 I144V28-V76 HydrophobicContact CG1-CG2 3.54Å; I29-V76 PolarHBondContact O-N 2.99Å; G31-V76 PolarHBondContact N-O 2.86Å; L74-V76 HydrophobicContact CD2-CG2 4.13Å; L74-V76 HydrophobicContact CG-CG2 3.96Å; V76-L134 CarbonylContact C-O 3.52Å; V76-L134 VanDerWaalsContact CA-O 3.28Å; V76-L134 WeakPolarHBondContact CA-O 3.41Å; V76-L134 HydrophobicContact CG1-CB 4.43Å; V76-L134 HydrophobicContact CG1-CD2 4.25Å; V76-L134 HydrophobicContact CG1-CG 4.3Å; V76-L134 HydrophobicContact CG2-CB 4.41Å; V76-L134 HydrophobicContact CG2-CD2 4.46Å; V76-A140 HydrophobicContact CG1-CB 3.93Å; V76-T143 HydrophobicContact CG1-CG2 3.93Å; V76-I144 HydrophobicContact CB-CD1 4.28Å; V76-I144 HydrophobicContact CB-CG1 3.57Å; V76-I144 HydrophobicContact CG1-CG1 3.9Å; V76-I144 HydrophobicContact CG2-CG1 4Å
77F95.2Very high85.3Confident0 Ų048.7 Ų48.70%025%0.246CC..EExtended strand (participates in β ladder)trans-118.2145.4-176.1-67-93.6000112.1G31 F75 F119 F122 L123 L126 V133 L134 V135 C136 Y333G31-F77 WeakPolarHBondContact O-CE1 3.44Å; F75-F77 HydrophobicContact CB-CD2 4.44Å; F75-F77 HydrophobicContact CB-CE2 3.67Å; F75-F77 HydrophobicContact CB-CZ 4.27Å; F77-F119 HydrophobicContact CD1-CE1 4.04Å; F77-F119 AromaticContact CD1-CZ 3.63Å; F77-F119 HydrophobicContact CD1-CZ 3.63Å; F77-F119 AromaticContact CE1-CE1 3.96Å; F77-F119 HydrophobicContact CE1-CE1 3.96Å; F77-F119 AromaticContact CE1-CZ 3.54Å; F77-F119 HydrophobicContact CE1-CZ 3.54Å; F77-F122 HydrophobicContact CE1-CD1 4.13Å; F77-F122 AromaticContact CE1-CE1 3.75Å; F77-F122 HydrophobicContact CE1-CE1 3.75Å; F77-F122 HydrophobicContact CZ-CD1 4.19Å; F77-F122 AromaticContact CZ-CE1 3.64Å; F77-F122 HydrophobicContact CZ-CE1 3.64Å; F77-L123 HydrophobicContact CD1-CD2 4.44Å; F77-L123 HydrophobicContact CE1-CD2 3.88Å; F77-L123 HydrophobicContact CE2-CD2 4.17Å; F77-L123 HydrophobicContact CZ-CD2 3.73Å; F77-L126 HydrophobicContact CE2-CD1 3.99Å; F77-L126 HydrophobicContact CZ-CD1 3.6Å; F77-V133 HydrophobicContact CD2-CG1 3.73Å; F77-V133 HydrophobicContact CE2-CG1 3.7Å; F77-V133 HydrophobicContact CE2-CG2 4.31Å; F77-L134 PolarHBondContact N-O 3.4Å; F77-V135 HydrophobicContact CB-CG2 4.46Å; F77-C136 PolarHBondContact O-N 2.81Å; F77-Y333 HydrophobicContact CB-CD2 4.02Å; F77-Y333 HydrophobicContact CB-CE2 3.39Å; F77-Y333 HydrophobicContact CD1-CE2 4.21Å; F77-Y333 HydrophobicContact CG-CD2 4.35Å; F77-Y333 HydrophobicContact CG-CE2 4Å
78D91.2Very high84.8Confident39 Ų3943.6 Ų43.621%0.20923%0.227CC..  trans-62.2142.1169.8-60.6-57.9000110.5T32 A140 Y333T32-D78 WeakPolarHBondContact CB-OD2 3.43Å; T32-D78 WeakPolarHBondContact CG2-OD2 3.45Å; T32-D78 PolarHBondContact OG1-N 3.49Å; T32-D78 VanDerWaalsContact OG1-N 3.1Å; T32-D78 PolarHBondContact OG1-OD2 2.89Å; D78-A140 VanDerWaalsContact OD1-CB 3.31Å; D78-A140 WeakPolarHBondContact OD1-CB 3.11Å; D78-A140 PolarHBondContact OD1-N 2.79Å; D78-Y333 VanDerWaalsContact O-CE2 3.23Å; D78-Y333 WeakPolarHBondContact O-CE2 3.46Å; D78-Y333 PolarHBondContact O-OH 2.93Å
79G88.6Confident84.2Confident12 Ų1243.1 Ų43.112%0.12423%0.227CC..  trans-89.9-168.2170.200000113.8M81 C136 G138 Y327G79-M81 PolarHBondContact O-N 3.48Å; G79-C136 WeakPolarHBondContact CA-O 3.37Å; G79-G138 PolarHBondContact N-O 3.35Å; G79-Y327 WeakPolarHBondContact CA-OH 3.3Å
80P74.9Confident83.6Confident6 Ų643.8 Ų43.84%0.03923%0.231CC..PPolyproline II helixtrans-60.6132.3171.429.5-38.2000110T137 G138 Y327 T339 Y340 L343P80-T137 WeakPolarHBondContact CG-O 3.24Å; P80-G138 WeakPolarHBondContact O-CA 3.34Å; P80-Y327 WeakPolarHBondContact CD-OH 3.28Å; P80-T339 WeakPolarHBondContact CG-OG1 3.34Å; P80-Y340 VanDerWaalsContact CB-CB 3.49Å; P80-Y340 HydrophobicContact CB-CD2 4.27Å; P80-Y340 HydrophobicContact CB-CG 4.18Å; P80-L343 HydrophobicContact CG-CD1 4.13Å
81M70.9Confident83Confident40 Ų4039.6 Ų39.620%0.19721%0.209CC..PPolyproline II helixtrans-69.5158.9171.4-67.9-162.1-51.400111.5G79 K87 V91 Y340 F348G79-M81 PolarHBondContact O-N 3.48Å; M81-K87 HydrophobicContact SD-CB 4.07Å; M81-V91 HydrophobicContact CE-CB 3.43Å; M81-V91 VanDerWaalsContact CE-CB 3.43Å; M81-V91 HydrophobicContact CE-CG1 3.67Å; M81-V91 HydrophobicContact CE-CG2 3.22Å; M81-V91 HydrophobicContact SD-CB 4.08Å; M81-V91 HydrophobicContact SD-CG2 3.19Å; M81-V91 WeakPolarHBondContact SD-CG2 3.05Å; M81-Y340 WeakPolarHBondContact O-CD2 3.41Å; M81-Y340 WeakPolarHBondContact O-CE2 2.77Å; M81-F348 HydrophobicContact CE-CD2 4.29Å; M81-F348 HydrophobicContact CE-CE2 3.69Å; M81-F348 HydrophobicContact CE-CZ 4.28Å
82D69.4Low82.6Confident96 Ų9640 Ų4051%0.51321%0.211SC..PPolyproline II helixtrans-81.5134166.4-175.42.5000110.5Y84 G85D82-Y84 PolarHBondContact O-N 3.18Å; D82-Y84 PolarHBondContact OD1-N 3.03Å; D82-G85 PolarHBondContact O-N 3.45Å
83K63.5Low82Confident50 Ų5040.4 Ų40.422%0.21721%0.209CC..THydrogen-bonded Turntrans-59.7-33.4173.7-171.8-172.7-173.3168.80111.8F88 Y340 T346K83-F88 HydrophobicContact CG-CD2 4.4Å; K83-F88 HydrophobicContact CG-CE2 4.22Å; K83-F88 WeakPolarHBondContact O-CD2 3.18Å; K83-Y340 WeakPolarHBondContact CA-OH 3.4Å; K83-Y340 HydrophobicContact CB-CE2 4.14Å; K83-Y340 WeakPolarHBondContact CB-OH 3.33Å; K83-Y340 PolarHBondContact N-OH 3.28Å; K83-T346 VanDerWaalsContact CD-OG1 3.29Å; K83-T346 WeakPolarHBondContact CD-OG1 3.39Å; K83-T346 VanDerWaalsContact CE-OG1 3.31Å; K83-T346 WeakPolarHBondContact CE-OG1 3.34Å; K83-T346 PolarHBondContact NZ-OG1 3.42Å
84Y64.8Low81.5Confident189 Ų18944.6 Ų44.674%0.74122%0.222SC*.THydrogen-bonded Turntrans-974.4179.3-52.1-69.1000112.1D82D82-Y84 PolarHBondContact O-N 3.18Å; D82-Y84 PolarHBondContact OD1-N 3.03Å
85G69.3Low81.2Confident26 Ų2645.8 Ų45.827%0.26823%0.227SC..SBendtrans-74.8153.5178.200000112.8D82 K87 F88D82-G85 PolarHBondContact O-N 3.45Å; G85-K87 PolarHBondContact O-N 2.83Å; G85-K87 VanDerWaalsContact O-N 3.1Å; G85-F88 WeakPolarHBondContact O-CB 3.43Å; G85-F88 PolarHBondContact O-N 3.39Å; G85-F88 VanDerWaalsContact O-N 3.13Å
86S66.3Low80.9Confident80 Ų8050.9 Ų50.956%0.55925%0.249SC*.THydrogen-bonded Turntrans-54.2-29.8177.251.40000113.3F88S86-F88 VanDerWaalsContact C-N 3.35Å; S86-F88 PolarHBondContact O-N 3.37Å
87K73.1Confident80.7Confident22 Ų2254.9 Ų54.910%0.09627%0.268CS..THydrogen-bonded Turntrans-79.2-7.4-177.9-63.5-166.4179.1-175.70115.3M1 M81 G85 Q89 T90 V91 D139 D141 D220M1-K87 HydrophobicContact CE-CB 4.4Å; M1-K87 HydrophobicContact CE-CD 3.46Å; M1-K87 VanDerWaalsContact CE-CD 3.46Å; M1-K87 VanDerWaalsContact CE-CE 3.48Å; M1-K87 HydrophobicContact CE-CG 3.61Å; M81-K87 HydrophobicContact SD-CB 4.07Å; G85-K87 PolarHBondContact O-N 2.83Å; G85-K87 VanDerWaalsContact O-N 3.1Å; K87-Q89 VanDerWaalsContact C-N 3.3Å; K87-Q89 PolarHBondContact O-N 3.25Å; K87-T90 WeakPolarHBondContact O-CB 3.35Å; K87-T90 PolarHBondContact O-N 3.15Å; K87-T90 VanDerWaalsContact O-N 3.11Å; K87-V91 PolarHBondContact O-N 3.27Å; K87-V91 VanDerWaalsContact O-N 3.1Å; K87-D139 VanDerWaalsContact CD-OD1 3.24Å; K87-D139 WeakPolarHBondContact CD-OD1 3.31Å; K87-D139 VanDerWaalsContact CD-OD2 3.3Å; K87-D139 WeakPolarHBondContact CD-OD2 3.46Å; K87-D139 VanDerWaalsContact CE-CG 3.41Å; K87-D139 WeakPolarHBondContact CE-OD1 3.39Å; K87-D139 WeakPolarHBondContact CE-OD2 3.47Å; K87-D139 IonicContact NZ-OD1 3.43Å; K87-D139 PolarHBondContact NZ-OD1 2.6Å; K87-D139 IonicContact NZ-OD2 4Å; K87-D139 PolarHBondContact NZ-OD2 3.23Å; K87-D141 IonicContact NZ-OD2 3.36Å; K87-D141 PolarHBondContact NZ-OD2 3.08Å; K87-D220 WeakPolarHBondContact CE-OD2 3.35Å; K87-D220 IonicContact NZ-OD2 3.92Å
88F82.4Confident80.5Confident25 Ų2556.2 Ų56.211%0.1128%0.279CS..Hα-helixtrans-54.9-45.5-179.5179-91.8000112.3K83 G85 S86 T90 V91 L92 F348 Y388K83-F88 HydrophobicContact CG-CD2 4.4Å; K83-F88 HydrophobicContact CG-CE2 4.22Å; K83-F88 WeakPolarHBondContact O-CD2 3.18Å; G85-F88 WeakPolarHBondContact O-CB 3.43Å; G85-F88 PolarHBondContact O-N 3.39Å; G85-F88 VanDerWaalsContact O-N 3.13Å; S86-F88 VanDerWaalsContact C-N 3.35Å; S86-F88 PolarHBondContact O-N 3.37Å; F88-T90 PolarHBondContact O-N 3.1Å; F88-V91 PolarHBondContact O-N 2.98Å; F88-L92 HydrophobicContact CD1-CD1 3.92Å; F88-L92 HydrophobicContact CD1-CG 4.43Å; F88-L92 HydrophobicContact CE1-CD1 3.3Å; F88-L92 HydrophobicContact CE1-CG 4Å; F88-L92 HydrophobicContact CZ-CD1 3.9Å; F88-L92 HydrophobicContact CZ-CG 4.27Å; F88-L92 PolarHBondContact O-N 2.98Å; F88-L92 VanDerWaalsContact O-N 3.13Å; F88-F348 HydrophobicContact CD2-CE2 4.4Å; F88-F348 AromaticContact CD2-CZ 3.66Å; F88-F348 HydrophobicContact CD2-CZ 3.66Å; F88-F348 HydrophobicContact CE2-CE1 4.08Å; F88-F348 HydrophobicContact CE2-CE2 4.33Å; F88-F348 AromaticContact CE2-CZ 3.39Å; F88-F348 HydrophobicContact CE2-CZ 3.39Å; F88-F348 HydrophobicContact CZ-CE1 4.46Å; F88-F348 HydrophobicContact CZ-CZ 4.18Å; F88-Y388 HydrophobicContact CE2-CE2 4.18Å; F88-Y388 HydrophobicContact CZ-CE1 4.23Å; F88-Y388 AromaticContact CZ-CE2 3.96Å; F88-Y388 HydrophobicContact CZ-CE2 3.96Å; F88-Y388 AromaticContact CZ-CZ 3.61Å; F88-Y388 WeakPolarHBondContact CZ-OH 3.31Å
89Q82Confident80.6Confident127 Ų12754.4 Ų54.459%0.59327%0.269SS*.Hα-helixtrans-66.6-37.1178.5-66.8-59-2700112.6K87 V91 L92 K93K87-Q89 VanDerWaalsContact C-N 3.3Å; K87-Q89 PolarHBondContact O-N 3.25Å; Q89-V91 VanDerWaalsContact C-N 3.31Å; Q89-V91 PolarHBondContact O-N 2.77Å; Q89-L92 PolarHBondContact O-N 3.09Å; Q89-K93 PolarHBondContact O-N 3.36Å
90T80.2Confident80.8Confident15 Ų1558.2 Ų58.29%0.09229%0.287CS..Hα-helixtrans-58.9-45.2175.4-55.80000111M1 K87 F88 K93 R94M1-T90 HydrophobicContact CE-CG2 3.88Å; M1-T90 HydrophobicContact CG-CG2 4.02Å; M1-T90 HydrophobicContact SD-CG2 3.19Å; M1-T90 WeakPolarHBondContact SD-CG2 3.47Å; K87-T90 WeakPolarHBondContact O-CB 3.35Å; K87-T90 PolarHBondContact O-N 3.15Å; K87-T90 VanDerWaalsContact O-N 3.11Å; F88-T90 PolarHBondContact O-N 3.1Å; T90-K93 PolarHBondContact O-N 2.66Å; T90-R94 WeakPolarHBondContact O-CG 3.17Å; T90-R94 PolarHBondContact O-N 2.9Å
91V84.5Confident81.7Confident15 Ų1559 Ų599%0.09129%0.292CS..Hα-helixtrans-69.4-38.3179.8167.20000112.5M81 K87 F88 Q89 K93 R94 H95 F348M81-V91 HydrophobicContact CE-CB 3.43Å; M81-V91 VanDerWaalsContact CE-CB 3.43Å; M81-V91 HydrophobicContact CE-CG1 3.67Å; M81-V91 HydrophobicContact CE-CG2 3.22Å; M81-V91 HydrophobicContact SD-CB 4.08Å; M81-V91 HydrophobicContact SD-CG2 3.19Å; M81-V91 WeakPolarHBondContact SD-CG2 3.05Å; K87-V91 PolarHBondContact O-N 3.27Å; K87-V91 VanDerWaalsContact O-N 3.1Å; F88-V91 PolarHBondContact O-N 2.98Å; Q89-V91 VanDerWaalsContact C-N 3.31Å; Q89-V91 PolarHBondContact O-N 2.77Å; V91-K93 VanDerWaalsContact C-N 3.29Å; V91-K93 PolarHBondContact O-N 3.43Å; V91-R94 PolarHBondContact O-N 2.84Å; V91-H95 VanDerWaalsContact CG1-CE1 3.46Å; V91-H95 WeakPolarHBondContact CG1-CE1 3.43Å; V91-H95 WeakPolarHBondContact CG1-ND1 3.25Å; V91-H95 PolarHBondContact O-N 2.67Å; V91-H95 PolarHBondContact O-ND1 3.16Å; V91-F348 HydrophobicContact CG1-CD1 4.11Å; V91-F348 HydrophobicContact CG1-CD2 4.13Å; V91-F348 HydrophobicContact CG1-CE1 4.18Å; V91-F348 HydrophobicContact CG1-CE2 4.19Å; V91-F348 HydrophobicContact CG1-CG 4.06Å; V91-F348 HydrophobicContact CG1-CZ 4.18Å
92L87.8Confident82.7Confident17 Ų1757.1 Ų57.19%0.08928%0.283CS..Hα-helixtrans-57.8-44.2171-73.9179.2000111.6F88 Q89 H95 K96 F348 Y388 Y395F88-L92 HydrophobicContact CD1-CD1 3.92Å; F88-L92 HydrophobicContact CD1-CG 4.43Å; F88-L92 HydrophobicContact CE1-CD1 3.3Å; F88-L92 HydrophobicContact CE1-CG 4Å; F88-L92 HydrophobicContact CZ-CD1 3.9Å; F88-L92 HydrophobicContact CZ-CG 4.27Å; F88-L92 PolarHBondContact O-N 2.98Å; F88-L92 VanDerWaalsContact O-N 3.13Å; Q89-L92 PolarHBondContact O-N 3.09Å; L92-H95 PolarHBondContact O-N 2.94Å; L92-K96 WeakPolarHBondContact O-CG 2.92Å; L92-K96 PolarHBondContact O-N 3.15Å; L92-F348 HydrophobicContact CD2-CD1 4.46Å; L92-F348 HydrophobicContact CD2-CE1 3.75Å; L92-F348 HydrophobicContact CG-CE1 4.27Å; L92-Y388 HydrophobicContact CD2-CD1 3.47Å; L92-Y388 VanDerWaalsContact CD2-CD1 3.47Å; L92-Y388 HydrophobicContact CD2-CE1 3.7Å; L92-Y388 HydrophobicContact CD2-CG 4.16Å; L92-Y395 HydrophobicContact CD2-CD1 3.78Å; L92-Y395 HydrophobicContact CD2-CE1 3.97Å
93K85.9Confident83.7Confident58 Ų5854 Ų5425%0.25227%0.267SS..Hα-helixtrans-62.4-46.7177-174.4179173.4-173.90111.6Q89 T90 V91 H95 K96 E97 S635Q89-K93 PolarHBondContact O-N 3.36Å; T90-K93 PolarHBondContact O-N 2.66Å; V91-K93 VanDerWaalsContact C-N 3.29Å; V91-K93 PolarHBondContact O-N 3.43Å; K93-H95 VanDerWaalsContact C-N 3.31Å; K93-H95 PolarHBondContact O-N 3.36Å; K93-K96 CarbonylContact O-C 3.56Å; K93-K96 WeakPolarHBondContact O-CB 3.12Å; K93-K96 PolarHBondContact O-N 3.03Å; K93-K96 VanDerWaalsContact O-N 3.1Å; K93-E97 WeakPolarHBondContact CE-OE1 3.25Å; K93-E97 IonicContact NZ-OE1 2.73Å; K93-E97 WeakPolarHBondContact O-CG 3.23Å; K93-E97 PolarHBondContact O-N 3.08Å; K93-S635 PolarHBondContact NZ-OG 3.46Å
94R87.7Confident85Confident110 Ų11054.6 Ų54.642%0.41527%0.271SS..Hα-helixtrans-58.6-39.7177-75.5168.5163.8179.2-13.6112.6T90 V91 E97 A98T90-R94 WeakPolarHBondContact O-CG 3.17Å; T90-R94 PolarHBondContact O-N 2.9Å; V91-R94 PolarHBondContact O-N 2.84Å; R94-E97 PolarHBondContact O-N 3.48Å; R94-A98 WeakPolarHBondContact O-CB 3.39Å; R94-A98 PolarHBondContact O-N 3.11Å
95H91.8Very high86.1Confident35 Ų3545.8 Ų45.816%0.16224%0.236CC..Hα-helixtrans-68.5-40.1175.5-75.477.5000111.5V91 L92 K93 E97 A98 I99 I351 Y395V91-H95 VanDerWaalsContact CG1-CE1 3.46Å; V91-H95 WeakPolarHBondContact CG1-CE1 3.43Å; V91-H95 WeakPolarHBondContact CG1-ND1 3.25Å; V91-H95 PolarHBondContact O-N 2.67Å; V91-H95 PolarHBondContact O-ND1 3.16Å; L92-H95 PolarHBondContact O-N 2.94Å; K93-H95 VanDerWaalsContact C-N 3.31Å; K93-H95 PolarHBondContact O-N 3.36Å; H95-E97 VanDerWaalsContact C-N 3.34Å; H95-E97 PolarHBondContact O-N 3.06Å; H95-A98 PolarHBondContact O-N 3.34Å; H95-I99 WeakPolarHBondContact O-CG1 3.49Å; H95-I99 PolarHBondContact O-N 3.09Å; H95-I351 HydrophobicContact CB-CG1 4.26Å; H95-Y395 HydrophobicContact CB-CD1 3.56Å; H95-Y395 HydrophobicContact CB-CD2 4.21Å; H95-Y395 HydrophobicContact CB-CE1 3.41Å; H95-Y395 VanDerWaalsContact CB-CE1 3.41Å; H95-Y395 HydrophobicContact CB-CE2 4.12Å; H95-Y395 HydrophobicContact CB-CG 3.95Å; H95-Y395 AromaticContact CD2-CE1 3.91Å; H95-Y395 AromaticContact CD2-CE2 3.98Å; H95-Y395 AromaticContact CD2-CZ 3.44Å; H95-Y395 VanDerWaalsContact CD2-CZ 3.44Å; H95-Y395 PolarHBondContact CD2-OH 3.24Å; H95-Y395 AromaticContact CG-CE1 3.58Å; H95-Y395 AromaticContact CG-CZ 3.62Å
96K92.7Very high86.9Confident106 Ų10645.1 Ų45.146%0.46123%0.226SC..Hα-helixtrans-61.7-41.2172.6-69.5173.3-178.9-179.10112.1L92 K93 I99 N100L92-K96 WeakPolarHBondContact O-CG 2.92Å; L92-K96 PolarHBondContact O-N 3.15Å; K93-K96 CarbonylContact O-C 3.56Å; K93-K96 WeakPolarHBondContact O-CB 3.12Å; K93-K96 PolarHBondContact O-N 3.03Å; K93-K96 VanDerWaalsContact O-N 3.1Å; K96-I99 WeakPolarHBondContact O-CB 3.25Å; K96-I99 PolarHBondContact O-N 2.71Å; K96-N100 PolarHBondContact O-N 3.17Å; K96-N100 PolarHBondContact O-ND2 3.43Å
97E91.9Very high87.8Confident85 Ų8546 Ų4640%0.39722%0.222SC..Hα-helixtrans-63.9-42.3173.6-72.3169.817200111.6K93 R94 H95 I99 N100 C101K93-E97 WeakPolarHBondContact CE-OE1 3.25Å; K93-E97 IonicContact NZ-OE1 2.73Å; K93-E97 WeakPolarHBondContact O-CG 3.23Å; K93-E97 PolarHBondContact O-N 3.08Å; R94-E97 PolarHBondContact O-N 3.48Å; H95-E97 VanDerWaalsContact C-N 3.34Å; H95-E97 PolarHBondContact O-N 3.06Å; E97-I99 VanDerWaalsContact C-N 3.28Å; E97-I99 PolarHBondContact O-N 3.43Å; E97-N100 WeakPolarHBondContact O-CA 3.4Å; E97-N100 WeakPolarHBondContact O-CB 3.28Å; E97-N100 PolarHBondContact O-N 3.09Å; E97-C101 PolarHBondContact O-N 3.25Å; E97-C101 PolarHBondContact O-SG 3.3Å
98A92.6Very high88.2Confident27 Ų2749 Ų4922%0.22324%0.236CC..Hα-helixtrans-62-33.517600000112.5R94 H95 C101 A102 I351R94-A98 WeakPolarHBondContact O-CB 3.39Å; R94-A98 PolarHBondContact O-N 3.11Å; H95-A98 PolarHBondContact O-N 3.34Å; A98-C101 PolarHBondContact O-N 3.38Å; A98-A102 WeakPolarHBondContact O-CB 3.19Å; A98-A102 PolarHBondContact O-N 2.91Å; A98-I351 HydrophobicContact CB-CB 3.76Å; A98-I351 HydrophobicContact CB-CG1 4.14Å; A98-I351 HydrophobicContact CB-CG2 4.09Å
99I93.5Very high88.2Confident2 Ų255.2 Ų55.21%0.0126%0.259CS..Hα-helixtrans-60.9-48.1171-67.1166.7000109.8H95 K96 E97 C101 A102 V103 I351 R390 T394 Y395H95-I99 WeakPolarHBondContact O-CG1 3.49Å; H95-I99 PolarHBondContact O-N 3.09Å; K96-I99 WeakPolarHBondContact O-CB 3.25Å; K96-I99 PolarHBondContact O-N 2.71Å; E97-I99 VanDerWaalsContact C-N 3.28Å; E97-I99 PolarHBondContact O-N 3.43Å; I99-C101 VanDerWaalsContact C-N 3.34Å; I99-C101 PolarHBondContact O-N 3.4Å; I99-A102 PolarHBondContact O-N 3.31Å; I99-V103 WeakPolarHBondContact O-CG2 3.39Å; I99-V103 PolarHBondContact O-N 3.03Å; I99-I351 HydrophobicContact CD1-CD1 4.09Å; I99-I351 HydrophobicContact CG1-CD1 3.65Å; I99-I351 HydrophobicContact CG1-CG1 3.87Å; I99-I351 HydrophobicContact CG1-CG2 3.99Å; I99-R390 HydrophobicContact CD1-CB 4.43Å; I99-R390 HydrophobicContact CD1-CG 3.95Å; I99-R390 HydrophobicContact CG1-CG 4.21Å; I99-T394 WeakPolarHBondContact CD1-O 3.5Å; I99-Y395 HydrophobicContact CD1-CD2 4.4Å
100N92.6Very high88.2Confident92 Ų9254 Ų5449%0.49227%0.265SS..Hα-helixtrans-61.6-42.6177.9-68.7-36000111.9K96 E97 V103 Q104K96-N100 PolarHBondContact O-N 3.17Å; K96-N100 PolarHBondContact O-ND2 3.43Å; E97-N100 WeakPolarHBondContact O-CA 3.4Å; E97-N100 WeakPolarHBondContact O-CB 3.28Å; E97-N100 PolarHBondContact O-N 3.09Å; N100-V103 PolarHBondContact O-N 3.43Å; N100-Q104 VanDerWaalsContact O-CG 3.29Å; N100-Q104 WeakPolarHBondContact O-CG 3.4Å; N100-Q104 PolarHBondContact O-N 3.32Å
101C92.1Very high88.5Confident21 Ų2154.9 Ų54.914%0.14227%0.269CS..Hα-helixtrans-61.3-46174.8-64.60000111.3E97 A98 I99 V103 Q104 V105 N111 V113E97-C101 PolarHBondContact O-N 3.25Å; E97-C101 PolarHBondContact O-SG 3.3Å; A98-C101 PolarHBondContact O-N 3.38Å; I99-C101 VanDerWaalsContact C-N 3.34Å; I99-C101 PolarHBondContact O-N 3.4Å; C101-V103 VanDerWaalsContact C-N 3.35Å; C101-V103 PolarHBondContact O-N 3.44Å; C101-Q104 WeakPolarHBondContact O-CB 3.26Å; C101-Q104 PolarHBondContact O-N 3.35Å; C101-Q104 VanDerWaalsContact O-N 3.16Å; C101-V105 WeakPolarHBondContact O-CG2 3.16Å; C101-V105 PolarHBondContact O-N 3.26Å; C101-N111 PolarHBondContact SG-ND2 2.77Å; C101-N111 VanDerWaalsContact SG-ND2 3.36Å; C101-N111 PolarHBondContact SG-OD1 3Å; C101-N111 VanDerWaalsContact SG-OD1 3.38Å; C101-V113 HydrophobicContact CB-CG2 3.8Å
102A91.9Very high88.6Confident2 Ų255.2 Ų55.22%0.01727%0.269CS..Hα-helixtrans-59.2-45.1177.800000111.7A98 I99 Q104 V105 M106 V113 I351 L353A98-A102 WeakPolarHBondContact O-CB 3.19Å; A98-A102 PolarHBondContact O-N 2.91Å; I99-A102 PolarHBondContact O-N 3.31Å; A102-Q104 VanDerWaalsContact C-N 3.33Å; A102-Q104 PolarHBondContact O-N 3.16Å; A102-V105 PolarHBondContact O-N 3.01Å; A102-M106 WeakPolarHBondContact O-CB 3.43Å; A102-M106 WeakPolarHBondContact O-CG 3.28Å; A102-M106 PolarHBondContact O-N 3.11Å; A102-V113 HydrophobicContact CB-CG2 3.96Å; A102-I351 HydrophobicContact CB-CG2 4.19Å; A102-L353 HydrophobicContact CB-CD2 4.35Å
103V91.4Very high88.7Confident30 Ų3054.9 Ų54.918%0.18227%0.268CS..Hα-helixtrans-59.9-43.5175.9171.50000111.2I99 N100 C101 M106 Q107 I356I99-V103 WeakPolarHBondContact O-CG2 3.39Å; I99-V103 PolarHBondContact O-N 3.03Å; N100-V103 PolarHBondContact O-N 3.43Å; C101-V103 VanDerWaalsContact C-N 3.35Å; C101-V103 PolarHBondContact O-N 3.44Å; V103-M106 PolarHBondContact O-N 2.99Å; V103-Q107 VanDerWaalsContact O-CG 3.25Å; V103-Q107 WeakPolarHBondContact O-CG 3.42Å; V103-Q107 PolarHBondContact O-N 3.24Å; V103-I356 HydrophobicContact CG2-CD1 3.75Å; V103-I356 HydrophobicContact CG2-CG1 4.27Å; V103-I356 HydrophobicContact CG2-CG2 3.65Å
104Q90.9Very high89Confident63 Ų6353 Ų5329%0.29426%0.26SS..Hα-helixtrans-64.2-45.2177.6-72.5177.119.600112.2N100 C101 A102 M106 Q107 Q108 R109 N111N100-Q104 VanDerWaalsContact O-CG 3.29Å; N100-Q104 WeakPolarHBondContact O-CG 3.4Å; N100-Q104 PolarHBondContact O-N 3.32Å; C101-Q104 WeakPolarHBondContact O-CB 3.26Å; C101-Q104 PolarHBondContact O-N 3.35Å; C101-Q104 VanDerWaalsContact O-N 3.16Å; A102-Q104 VanDerWaalsContact C-N 3.33Å; A102-Q104 PolarHBondContact O-N 3.16Å; Q104-M106 PolarHBondContact O-N 3.49Å; Q104-Q107 CarbonylContact O-C 3.46Å; Q104-Q107 WeakPolarHBondContact O-CA 3.22Å; Q104-Q107 WeakPolarHBondContact O-CB 3.41Å; Q104-Q107 PolarHBondContact O-N 2.78Å; Q104-Q107 VanDerWaalsContact O-N 3.1Å; Q104-Q108 PolarHBondContact O-N 3.13Å; Q104-R109 HydrophobicContact CB-CB 4.13Å; Q104-R109 VanDerWaalsContact O-CB 3.3Å; Q104-R109 WeakPolarHBondContact O-CB 3.49Å; Q104-R109 PolarHBondContact O-N 2.94Å; Q104-N111 HydrophobicContact CB-CB 4.16Å; Q104-N111 PolarHBondContact OE1-ND2 3.14Å
105V87.1Confident89.3Confident3 Ų348.2 Ų48.22%0.01824%0.243CC..Hα-helixtrans-61.5-44176.6176.30000111.2C101 A102 Q107 Q108 N111 L353C101-V105 WeakPolarHBondContact O-CG2 3.16Å; C101-V105 PolarHBondContact O-N 3.26Å; A102-V105 PolarHBondContact O-N 3.01Å; V105-Q107 PolarHBondContact O-N 3.35Å; V105-Q108 WeakPolarHBondContact O-CA 3.29Å; V105-Q108 PolarHBondContact O-N 3.34Å; V105-N111 HydrophobicContact CG2-CB 3.86Å; V105-N111 VanDerWaalsContact CG2-O 3.29Å; V105-N111 WeakPolarHBondContact CG2-O 3.12Å; V105-L353 HydrophobicContact CB-CD2 3.64Å; V105-L353 HydrophobicContact CG1-CD1 3.81Å; V105-L353 HydrophobicContact CG1-CD2 3.59Å; V105-L353 HydrophobicContact CG1-CG 4.37Å; V105-L353 HydrophobicContact CG2-CD2 4.21Å
106M86.1Confident89.4Confident12 Ų1247.5 Ų47.56%0.05924%0.24CC..Hα-helixtrans-59.9-35.2175.6-71.3-70.5-76.700111.5A102 V103 Q104 Q108 L353 N355 Y507 F508 V511A102-M106 WeakPolarHBondContact O-CB 3.43Å; A102-M106 WeakPolarHBondContact O-CG 3.28Å; A102-M106 PolarHBondContact O-N 3.11Å; V103-M106 PolarHBondContact O-N 2.99Å; Q104-M106 PolarHBondContact O-N 3.49Å; M106-Q108 PolarHBondContact O-N 3.26Å; M106-Q108 VanDerWaalsContact O-N 3.17Å; M106-L353 HydrophobicContact SD-CB 4.48Å; M106-N355 HydrophobicContact CE-CB 4.49Å; M106-Y507 HydrophobicContact SD-CE1 4.2Å; M106-F508 HydrophobicContact CB-CE1 4Å; M106-F508 HydrophobicContact CB-CZ 4.46Å; M106-F508 HydrophobicContact CE-CB 4.02Å; M106-F508 HydrophobicContact CE-CD1 3.12Å; M106-F508 HydrophobicContact CE-CE1 3.62Å; M106-F508 HydrophobicContact CE-CG 3.71Å; M106-F508 WeakPolarHBondContact O-CE1 3.36Å; M106-F508 VanDerWaalsContact O-CZ 3.24Å; M106-F508 WeakPolarHBondContact O-CZ 3.42Å; M106-F508 HydrophobicContact SD-CD1 4.02Å; M106-F508 HydrophobicContact SD-CE1 4.16Å; M106-V511 HydrophobicContact CE-CG1 4.18Å; M106-V511 HydrophobicContact SD-CB 4.47Å; M106-V511 HydrophobicContact SD-CG1 3.69Å
107Q85.8Confident89.5Confident100 Ų10042.5 Ų42.547%0.46722%0.218SC..THydrogen-bonded Turntrans-75.99.3172.5-67.7171.54.100114.1V103 Q104 V105 R109V103-Q107 VanDerWaalsContact O-CG 3.25Å; V103-Q107 WeakPolarHBondContact O-CG 3.42Å; V103-Q107 PolarHBondContact O-N 3.24Å; Q104-Q107 CarbonylContact O-C 3.46Å; Q104-Q107 WeakPolarHBondContact O-CA 3.22Å; Q104-Q107 WeakPolarHBondContact O-CB 3.41Å; Q104-Q107 PolarHBondContact O-N 2.78Å; Q104-Q107 VanDerWaalsContact O-N 3.1Å; V105-Q107 PolarHBondContact O-N 3.35Å; Q107-R109 HydrophobicContact CB-CG 4.27Å; Q107-R109 PolarHBondContact O-N 2.86Å
108Q80.6Confident89.6Confident85 Ų8538.4 Ų38.440%0.39720%0.2SC..THydrogen-bonded Turntrans60.626.4-176-55-64.2-51.700113.4Q104 V105 M106Q104-Q108 PolarHBondContact O-N 3.13Å; V105-Q108 WeakPolarHBondContact O-CA 3.29Å; V105-Q108 PolarHBondContact O-N 3.34Å; M106-Q108 PolarHBondContact O-N 3.26Å; M106-Q108 VanDerWaalsContact O-N 3.17Å
109R83.1Confident89.5Confident155 Ų15538.6 Ų38.659%0.58520%0.195SC*.  trans-86.4152.6170.7-59.6-180174.7175.8-0.1109.8Q104 Q107 N111Q104-R109 HydrophobicContact CB-CB 4.13Å; Q104-R109 VanDerWaalsContact O-CB 3.3Å; Q104-R109 WeakPolarHBondContact O-CB 3.49Å; Q104-R109 PolarHBondContact O-N 2.94Å; Q107-R109 HydrophobicContact CB-CG 4.27Å; Q107-R109 PolarHBondContact O-N 2.86Å; R109-N111 PolarHBondContact O-N 3.14Å
110S82.4Confident89.4Confident102 Ų10239.3 Ų39.371%0.71320%0.199SC*.SBendtrans-70.2102.8178.5-171.30000110.2
111N87Confident89.5Confident33 Ų3335.2 Ų35.218%0.17618%0.178CC..  trans-157.1-176.4169.8-150-36.4000108.8C101 Q104 V105 R109C101-N111 PolarHBondContact SG-ND2 2.77Å; C101-N111 VanDerWaalsContact SG-ND2 3.36Å; C101-N111 PolarHBondContact SG-OD1 3Å; C101-N111 VanDerWaalsContact SG-OD1 3.38Å; Q104-N111 HydrophobicContact CB-CB 4.16Å; Q104-N111 PolarHBondContact OE1-ND2 3.14Å; V105-N111 HydrophobicContact CG2-CB 3.86Å; V105-N111 VanDerWaalsContact CG2-O 3.29Å; V105-N111 WeakPolarHBondContact CG2-O 3.12Å; R109-N111 PolarHBondContact O-N 3.14Å
112F86.3Confident89.6Confident21 Ų2134.2 Ų34.29%0.09217%0.171CC..  trans-144.8138.5-172.9171.9-110.3000111.5Y36 F39 L40 C46 L114 F643Y36-F112 HydrophobicContact CD1-CE1 4.07Å; F39-F112 HydrophobicContact CB-CE2 4.49Å; F39-F112 HydrophobicContact CB-CZ 4.05Å; F39-F112 HydrophobicContact CD1-CD2 4.12Å; F39-F112 AromaticContact CD1-CE2 3.19Å; F39-F112 HydrophobicContact CD1-CE2 3.19Å; F39-F112 AromaticContact CD1-CZ 3.61Å; F39-F112 HydrophobicContact CD1-CZ 3.61Å; F39-F112 HydrophobicContact CE1-CD2 4.27Å; F39-F112 AromaticContact CE1-CE2 3.44Å; F39-F112 HydrophobicContact CE1-CE2 3.44Å; F39-F112 VanDerWaalsContact CE1-CE2 3.44Å; F39-F112 HydrophobicContact CE1-CZ 4.24Å; F39-F112 AromaticContact CG-CE2 3.88Å; F39-F112 HydrophobicContact CG-CE2 3.88Å; F39-F112 AromaticContact CG-CZ 3.84Å; F39-F112 HydrophobicContact CG-CZ 3.84Å; F39-F112 HydrophobicContact CZ-CE2 4.31Å; L40-F112 HydrophobicContact CD1-CD1 4.34Å; L40-F112 HydrophobicContact CD2-CB 3.85Å; L40-F112 HydrophobicContact CD2-CD1 3.63Å; L40-F112 HydrophobicContact CD2-CD2 4.12Å; L40-F112 HydrophobicContact CD2-CE1 4.15Å; L40-F112 HydrophobicContact CD2-CG 3.58Å; L40-F112 HydrophobicContact CG-CD1 4.05Å; L40-F112 HydrophobicContact CG-CE1 4.14Å; L40-F112 HydrophobicContact CG-CG 4.44Å; C46-F112 HydrophobicContact CB-CD2 4.16Å; C46-F112 HydrophobicContact CB-CE2 4.09Å; F112-L114 HydrophobicContact CE1-CB 4.23Å; F112-L114 HydrophobicContact CZ-CB 3.93Å; F112-L114 HydrophobicContact CZ-CD1 3.75Å; F112-L114 HydrophobicContact CZ-CG 4.47Å; F112-F643 HydrophobicContact CD1-CE1 4.23Å
113V89.6Confident89.6Confident11 Ų1135 Ų357%0.06718%0.175CC..  trans-134.5131.7164.1-178.30000107C101 A102 I351 L353C101-V113 HydrophobicContact CB-CG2 3.8Å; A102-V113 HydrophobicContact CB-CG2 3.96Å; V113-I351 WeakPolarHBondContact CG1-O 3.36Å; V113-L353 HydrophobicContact CB-CD2 4.1Å; V113-L353 HydrophobicContact CG2-CD2 4.21Å
114L91.2Very high89.6Confident19 Ų1936.1 Ų36.110%0.09918%0.175CC..  trans-63.9128.9-179-172.970.8000109.6Y36 F39 F112 A118Y36-L114 HydrophobicContact CD1-CB 4.01Å; Y36-L114 HydrophobicContact CD1-CD2 4.11Å; Y36-L114 HydrophobicContact CD1-CG 4.45Å; Y36-L114 HydrophobicContact CD2-CD2 4.14Å; Y36-L114 HydrophobicContact CE1-CB 3.54Å; Y36-L114 HydrophobicContact CE1-CD2 3.7Å; Y36-L114 HydrophobicContact CE1-CG 4.16Å; Y36-L114 HydrophobicContact CE2-CD2 3.73Å; Y36-L114 HydrophobicContact CG-CD2 4.31Å; Y36-L114 VanDerWaalsContact CZ-CD2 3.48Å; F39-L114 HydrophobicContact CB-CD1 4.26Å; F39-L114 HydrophobicContact CD2-CD1 3.9Å; F39-L114 HydrophobicContact CG-CD1 4.16Å; F112-L114 HydrophobicContact CE1-CB 4.23Å; F112-L114 HydrophobicContact CZ-CB 3.93Å; F112-L114 HydrophobicContact CZ-CD1 3.75Å; F112-L114 HydrophobicContact CZ-CG 4.47Å; L114-A118 HydrophobicContact CD1-CB 3.65Å; L114-A118 HydrophobicContact CD2-CB 4.3Å; L114-A118 HydrophobicContact CG-CB 3.81Å
115P94.8Very high89.8Confident8 Ų833.2 Ų33.25%0.05216%0.162CC..  trans-60.1146.5175.7-25.435.6000112.5F39 C46 Y52 L117 A118F39-P115 HydrophobicContact CE2-CG 3.77Å; F39-P115 HydrophobicContact CZ-CG 3.69Å; C46-P115 HydrophobicContact CB-CG 4.17Å; Y52-P115 HydrophobicContact CE1-CB 3.82Å; Y52-P115 WeakPolarHBondContact OH-CB 3.36Å; P115-L117 VanDerWaalsContact C-N 3.31Å; P115-L117 PolarHBondContact O-N 3.13Å; P115-L117 VanDerWaalsContact O-N 3.13Å; P115-A118 HydrophobicContact CB-CB 4.39Å; P115-A118 VanDerWaalsContact O-CB 3.28Å; P115-A118 WeakPolarHBondContact O-CB 3.47Å; P115-A118 PolarHBondContact O-N 2.62Å
116M93.5Very high90.2Very high20 Ų2033.1 Ų33.110%0.09916%0.162CC..THydrogen-bonded Turntrans-44.8-51.5-171.7-176.3112.9-42.100113.4P350 V352 H362 Q518 D522M116-P350 HydrophobicContact CE-CB 4.34Å; M116-P350 HydrophobicContact CE-CG 3.66Å; M116-P350 HydrophobicContact SD-CG 4.5Å; M116-V352 HydrophobicContact CB-CG1 4.25Å; M116-V352 HydrophobicContact CE-CB 4.03Å; M116-V352 HydrophobicContact CE-CG1 3.15Å; M116-V352 HydrophobicContact CE-CG2 3.74Å; M116-H362 VanDerWaalsContact SD-CE1 3.58Å; M116-Q518 HydrophobicContact CB-CB 4.28Å; M116-Q518 HydrophobicContact CG-CB 4.45Å; M116-D522 HydrophobicContact CG-CB 4.29Å
117L95.3Very high90.5Very high1 Ų136.7 Ų36.71%0.00518%0.181CC..THydrogen-bonded Turntrans-9810.9-170.2-58.1165.4000112.3Y52 P115 F119 D120 V121 Q518 L521 D522 V540Y52-L117 HydrophobicContact CE1-CB 3.89Å; Y52-L117 HydrophobicContact CE2-CB 4.26Å; Y52-L117 HydrophobicContact CE2-CD1 4.43Å; Y52-L117 PolarHBondContact OH-N 2.75Å; Y52-L117 VanDerWaalsContact OH-N 3.08Å; P115-L117 VanDerWaalsContact C-N 3.31Å; P115-L117 PolarHBondContact O-N 3.13Å; P115-L117 VanDerWaalsContact O-N 3.13Å; L117-F119 VanDerWaalsContact C-N 3.34Å; L117-F119 PolarHBondContact O-N 2.84Å; L117-D120 WeakPolarHBondContact CD2-OD2 3.27Å; L117-D120 WeakPolarHBondContact O-CB 3.39Å; L117-D120 PolarHBondContact O-N 3.19Å; L117-V121 WeakPolarHBondContact O-CG2 3.39Å; L117-V121 PolarHBondContact O-N 2.92Å; L117-V121 VanDerWaalsContact O-N 3.11Å; L117-Q518 HydrophobicContact CD1-CB 4.26Å; L117-Q518 HydrophobicContact CD1-CG 4.22Å; L117-L521 HydrophobicContact CD1-CD2 3.74Å; L117-L521 HydrophobicContact CD1-CG 4.25Å; L117-D522 HydrophobicContact CD2-CB 3.62Å; L117-V540 HydrophobicContact CB-CG1 4.21Å; L117-V540 HydrophobicContact CD1-CB 4.22Å; L117-V540 HydrophobicContact CD1-CG2 3.6Å
118A93.7Very high90.9Very high0 Ų035.8 Ų35.80%018%0.176CC..Hα-helixtrans-65.8-40.6-175.900000111Y52 F55 L114 P115 D120 V121 F122Y52-A118 HydrophobicContact CE1-CB 4.22Å; F55-A118 HydrophobicContact CD1-CB 4.27Å; F55-A118 HydrophobicContact CE1-CB 4.18Å; F55-A118 WeakPolarHBondContact CE1-O 3.35Å; L114-A118 HydrophobicContact CD1-CB 3.65Å; L114-A118 HydrophobicContact CD2-CB 4.3Å; L114-A118 HydrophobicContact CG-CB 3.81Å; P115-A118 HydrophobicContact CB-CB 4.39Å; P115-A118 VanDerWaalsContact O-CB 3.28Å; P115-A118 WeakPolarHBondContact O-CB 3.47Å; P115-A118 PolarHBondContact O-N 2.62Å; A118-D120 VanDerWaalsContact C-N 3.3Å; A118-D120 PolarHBondContact O-N 2.99Å; A118-V121 WeakPolarHBondContact O-CB 3.11Å; A118-V121 PolarHBondContact O-N 2.91Å; A118-F122 PolarHBondContact O-N 2.69Å
119F91Very high91.5Very high30 Ų3034.8 Ų34.813%0.13217%0.172CC..Hα-helixtrans-65.4-35.9178.8-148.7-94.1000112A35 F77 L117 F122 L123 Y333A35-F119 HydrophobicContact CB-CD2 3.71Å; A35-F119 HydrophobicContact CB-CE2 3.64Å; F77-F119 HydrophobicContact CD1-CE1 4.04Å; F77-F119 AromaticContact CD1-CZ 3.63Å; F77-F119 HydrophobicContact CD1-CZ 3.63Å; F77-F119 AromaticContact CE1-CE1 3.96Å; F77-F119 HydrophobicContact CE1-CE1 3.96Å; F77-F119 AromaticContact CE1-CZ 3.54Å; F77-F119 HydrophobicContact CE1-CZ 3.54Å; L117-F119 VanDerWaalsContact C-N 3.34Å; L117-F119 PolarHBondContact O-N 2.84Å; F119-F122 WeakPolarHBondContact O-CB 3.42Å; F119-F122 PolarHBondContact O-N 2.88Å; F119-L123 HydrophobicContact CD1-CD1 3.43Å; F119-L123 VanDerWaalsContact CD1-CD1 3.43Å; F119-L123 HydrophobicContact CD1-CG 3.97Å; F119-L123 HydrophobicContact CE1-CD1 3.65Å; F119-L123 HydrophobicContact CE1-CD2 4.1Å; F119-L123 HydrophobicContact CE1-CG 3.92Å; F119-L123 WeakPolarHBondContact O-CD1 3.47Å; F119-L123 WeakPolarHBondContact O-CG 3.28Å; F119-L123 PolarHBondContact O-N 3.19Å; F119-Y333 AromaticContact CD1-CD1 3.99Å; F119-Y333 HydrophobicContact CD1-CD1 3.99Å; F119-Y333 AromaticContact CD1-CE1 3.64Å; F119-Y333 HydrophobicContact CD1-CE1 3.64Å; F119-Y333 AromaticContact CE1-CD1 3.63Å; F119-Y333 HydrophobicContact CE1-CD1 3.63Å; F119-Y333 AromaticContact CE1-CE1 3.09Å; F119-Y333 HydrophobicContact CE1-CE1 3.09Å; F119-Y333 AromaticContact CE1-CZ 3.7Å; F119-Y333 HydrophobicContact CZ-CE1 4.01Å
120D90.3Very high92Very high17 Ų1734.3 Ų34.39%0.09118%0.181CC..Hα-helixtrans-63.5-44.7174-59.1-32.1000112.2L117 A118 F122 L123 R124 R334L117-D120 WeakPolarHBondContact CD2-OD2 3.27Å; L117-D120 WeakPolarHBondContact O-CB 3.39Å; L117-D120 PolarHBondContact O-N 3.19Å; A118-D120 VanDerWaalsContact C-N 3.3Å; A118-D120 PolarHBondContact O-N 2.99Å; D120-F122 PolarHBondContact O-N 3.23Å; D120-L123 PolarHBondContact O-N 3.07Å; D120-R124 WeakPolarHBondContact O-CB 3.44Å; D120-R124 PolarHBondContact O-N 2.78Å; D120-R334 IonicContact OD1-CZ 3.39Å; D120-R334 IonicContact OD1-NH1 3.73Å; D120-R334 PolarHBondContact OD1-NH1 3.37Å; D120-R334 IonicContact OD2-CZ 3.16Å; D120-R334 IonicContact OD2-NH1 2.74Å; D120-R334 PolarHBondContact OD2-NH1 2.86Å
121V94.5Very high92.7Very high7 Ų730.8 Ų30.84%0.04216%0.157CC..Hα-helixtrans-58.8-41.2175.4172.80000110.4Y52 F55 K56 L117 A118 L125 V540 T541Y52-V121 HydrophobicContact CD1-CG2 3.86Å; Y52-V121 HydrophobicContact CG-CG2 4.15Å; F55-V121 HydrophobicContact CD1-CB 4.23Å; F55-V121 HydrophobicContact CD1-CG1 4Å; K56-V121 HydrophobicContact CB-CG1 4.02Å; L117-V121 WeakPolarHBondContact O-CG2 3.39Å; L117-V121 PolarHBondContact O-N 2.92Å; L117-V121 VanDerWaalsContact O-N 3.11Å; A118-V121 WeakPolarHBondContact O-CB 3.11Å; A118-V121 PolarHBondContact O-N 2.91Å; V121-L125 VanDerWaalsContact O-CB 3.26Å; V121-L125 WeakPolarHBondContact O-CB 3.42Å; V121-L125 PolarHBondContact O-N 3.22Å; V121-L125 VanDerWaalsContact O-N 3.12Å; V121-V540 HydrophobicContact CG2-CG1 3.26Å; V121-T541 HydrophobicContact CG1-CG2 3.77Å; V121-T541 HydrophobicContact CG2-CG2 3.91Å
122F94.8Very high93.1Very high0 Ų033.5 Ų33.50%017%0.171CC..Hα-helixtrans-61.9-53178.2-176.7-118.3000111.7L34 A35 I38 F55 T59 F77 A118 F119 D120 L125 L126L34-F122 HydrophobicContact CB-CZ 4.41Å; L34-F122 HydrophobicContact CD2-CE2 4.22Å; L34-F122 HydrophobicContact CD2-CZ 3.66Å; L34-F122 HydrophobicContact CG-CE2 4.42Å; L34-F122 HydrophobicContact CG-CZ 3.97Å; A35-F122 HydrophobicContact CB-CB 4.33Å; A35-F122 HydrophobicContact CB-CD1 3.69Å; A35-F122 HydrophobicContact CB-CD2 4.42Å; A35-F122 HydrophobicContact CB-CE1 4.04Å; A35-F122 HydrophobicContact CB-CG 3.91Å; I38-F122 HydrophobicContact CD1-CE2 3.85Å; F55-F122 HydrophobicContact CE1-CB 4.01Å; F55-F122 HydrophobicContact CZ-CB 4.38Å; T59-F122 HydrophobicContact CG2-CD2 3.65Å; T59-F122 HydrophobicContact CG2-CE2 3.7Å; F77-F122 HydrophobicContact CE1-CD1 4.13Å; F77-F122 AromaticContact CE1-CE1 3.75Å; F77-F122 HydrophobicContact CE1-CE1 3.75Å; F77-F122 HydrophobicContact CZ-CD1 4.19Å; F77-F122 AromaticContact CZ-CE1 3.64Å; F77-F122 HydrophobicContact CZ-CE1 3.64Å; A118-F122 PolarHBondContact O-N 2.69Å; F119-F122 WeakPolarHBondContact O-CB 3.42Å; F119-F122 PolarHBondContact O-N 2.88Å; D120-F122 PolarHBondContact O-N 3.23Å; F122-L125 WeakPolarHBondContact O-CB 3.23Å; F122-L125 PolarHBondContact O-N 3.05Å; F122-L126 HydrophobicContact CD1-CD1 4.26Å; F122-L126 HydrophobicContact CE1-CD1 3.78Å; F122-L126 HydrophobicContact CE2-CD1 4.49Å; F122-L126 HydrophobicContact CE2-CD2 4.44Å; F122-L126 HydrophobicContact CE2-CG 4.48Å; F122-L126 HydrophobicContact CZ-CD1 3.88Å; F122-L126 HydrophobicContact CZ-CD2 4.41Å; F122-L126 HydrophobicContact CZ-CG 4.33Å; F122-L126 WeakPolarHBondContact O-CG 3.4Å; F122-L126 PolarHBondContact O-N 2.8Å
123L92.1Very high93.6Very high19 Ų1933.3 Ų33.310%0.09917%0.171CC..Hα-helixtrans-65.8-45.1-177.4-68.4159.9000113F77 F119 D120 L125 L126 D127 Y333F77-L123 HydrophobicContact CD1-CD2 4.44Å; F77-L123 HydrophobicContact CE1-CD2 3.88Å; F77-L123 HydrophobicContact CE2-CD2 4.17Å; F77-L123 HydrophobicContact CZ-CD2 3.73Å; F119-L123 HydrophobicContact CD1-CD1 3.43Å; F119-L123 VanDerWaalsContact CD1-CD1 3.43Å; F119-L123 HydrophobicContact CD1-CG 3.97Å; F119-L123 HydrophobicContact CE1-CD1 3.65Å; F119-L123 HydrophobicContact CE1-CD2 4.1Å; F119-L123 HydrophobicContact CE1-CG 3.92Å; F119-L123 WeakPolarHBondContact O-CD1 3.47Å; F119-L123 WeakPolarHBondContact O-CG 3.28Å; F119-L123 PolarHBondContact O-N 3.19Å; D120-L123 PolarHBondContact O-N 3.07Å; L123-L125 PolarHBondContact O-N 3.32Å; L123-L126 WeakPolarHBondContact O-CB 3.35Å; L123-L126 PolarHBondContact O-N 2.83Å; L123-L126 VanDerWaalsContact O-N 3.09Å; L123-D127 PolarHBondContact O-N 3.32Å; L123-Y333 HydrophobicContact CD1-CD1 3.27Å; L123-Y333 HydrophobicContact CD1-CE1 4.15Å; L123-Y333 HydrophobicContact CD1-CG 3.77Å; L123-Y333 HydrophobicContact CD2-CD1 4.15Å; L123-Y333 HydrophobicContact CD2-CG 3.97Å; L123-Y333 HydrophobicContact CG-CD1 4.3Å
124R92Very high94Very high52 Ų5232.8 Ų32.820%0.19617%0.168CC..Hα-helixtrans-56.3-40175.2-178.9-176.8177.989.9-3.4110.8D120 Q128 E537 D539D120-R124 WeakPolarHBondContact O-CB 3.44Å; D120-R124 PolarHBondContact O-N 2.78Å; R124-Q128 WeakPolarHBondContact O-CB 3.48Å; R124-Q128 VanDerWaalsContact O-CG 3.24Å; R124-Q128 WeakPolarHBondContact O-CG 3.29Å; R124-Q128 PolarHBondContact O-N 3.46Å; R124-E537 IonicContact NH1-OE1 3.48Å; R124-E537 PolarHBondContact NH1-OE1 3.34Å; R124-E537 IonicContact NH1-OE2 3.63Å; R124-E537 PolarHBondContact NH1-OE2 2.95Å; R124-D539 IonicContact NE-OD2 3.64Å; R124-D539 IonicContact NH2-OD2 3.88Å
125L94.5Very high94.2Very high3 Ų331.9 Ų31.92%0.01616%0.164CC..Hα-helixtrans-69.1-39.9177.6-177.561.7000112.1K56 T59 L60 L63 V121 F122 L123 D127 Q128 Q129K56-L125 HydrophobicContact CG-CD2 4.28Å; T59-L125 HydrophobicContact CG2-CD2 3.43Å; T59-L125 VanDerWaalsContact CG2-CD2 3.43Å; T59-L125 HydrophobicContact CG2-CG 4.42Å; L60-L125 HydrophobicContact CD2-CD1 3.81Å; L60-L125 HydrophobicContact CD2-CD2 4.33Å; L60-L125 HydrophobicContact CD2-CG 4.49Å; L60-L125 HydrophobicContact CG-CD1 3.98Å; L60-L125 HydrophobicContact CG-CD2 3.91Å; L63-L125 HydrophobicContact CD1-CD2 4.45Å; L63-L125 HydrophobicContact CD1-CG 4.37Å; V121-L125 VanDerWaalsContact O-CB 3.26Å; V121-L125 WeakPolarHBondContact O-CB 3.42Å; V121-L125 PolarHBondContact O-N 3.22Å; V121-L125 VanDerWaalsContact O-N 3.12Å; F122-L125 WeakPolarHBondContact O-CB 3.23Å; F122-L125 PolarHBondContact O-N 3.05Å; L123-L125 PolarHBondContact O-N 3.32Å; L125-D127 VanDerWaalsContact C-N 3.32Å; L125-D127 PolarHBondContact O-N 2.87Å; L125-Q128 PolarHBondContact O-N 2.93Å; L125-Q129 HydrophobicContact CD1-CG 4.17Å; L125-Q129 HydrophobicContact CG-CG 4.47Å; L125-Q129 WeakPolarHBondContact O-CB 3.15Å; L125-Q129 VanDerWaalsContact O-CG 3.26Å; L125-Q129 WeakPolarHBondContact O-CG 3.11Å; L125-Q129 PolarHBondContact O-N 2.88Å
126L95.7Very high94.2Very high1 Ų131.8 Ų31.81%0.00516%0.163CC..Hα-helixtrans-60-43.1174.9-68.3-177.3000111.8L63 F75 F77 F122 L123 Q129 N130 S131 V133L63-L126 HydrophobicContact CD1-CD2 4.13Å; L63-L126 HydrophobicContact CD2-CD2 4.03Å; F75-L126 HydrophobicContact CB-CD1 4.33Å; F75-L126 HydrophobicContact CD1-CD1 4.42Å; F75-L126 HydrophobicContact CD2-CD1 4.2Å; F75-L126 HydrophobicContact CD2-CD2 4.01Å; F75-L126 HydrophobicContact CE1-CD2 4.31Å; F75-L126 HydrophobicContact CE2-CD2 3.7Å; F75-L126 HydrophobicContact CG-CD1 4.06Å; F75-L126 HydrophobicContact CG-CD2 4.45Å; F75-L126 HydrophobicContact CZ-CD2 3.87Å; F77-L126 HydrophobicContact CE2-CD1 3.99Å; F77-L126 HydrophobicContact CZ-CD1 3.6Å; F122-L126 HydrophobicContact CD1-CD1 4.26Å; F122-L126 HydrophobicContact CE1-CD1 3.78Å; F122-L126 HydrophobicContact CE2-CD1 4.49Å; F122-L126 HydrophobicContact CE2-CD2 4.44Å; F122-L126 HydrophobicContact CE2-CG 4.48Å; F122-L126 HydrophobicContact CZ-CD1 3.88Å; F122-L126 HydrophobicContact CZ-CD2 4.41Å; F122-L126 HydrophobicContact CZ-CG 4.33Å; F122-L126 WeakPolarHBondContact O-CG 3.4Å; F122-L126 PolarHBondContact O-N 2.8Å; L123-L126 WeakPolarHBondContact O-CB 3.35Å; L123-L126 PolarHBondContact O-N 2.83Å; L123-L126 VanDerWaalsContact O-N 3.09Å; L126-Q129 CarbonylContact O-C 3.59Å; L126-Q129 PolarHBondContact O-N 2.89Å; L126-N130 PolarHBondContact O-N 3.01Å; L126-S131 VanDerWaalsContact O-CB 3.29Å; L126-S131 WeakPolarHBondContact O-CB 3.23Å; L126-S131 PolarHBondContact O-N 3.36Å; L126-S131 PolarHBondContact O-OG 3.36Å; L126-V133 HydrophobicContact CB-CG2 4.27Å; L126-V133 HydrophobicContact CD1-CG2 4.19Å
127D92.9Very high94Very high86 Ų8632.2 Ų32.246%0.4617%0.167SC..Hα-helixtrans-62.9-48.1175.2-177.570.1000111.6L123 L125 Q129 N130L123-D127 PolarHBondContact O-N 3.32Å; L125-D127 VanDerWaalsContact C-N 3.32Å; L125-D127 PolarHBondContact O-N 2.87Å; D127-Q129 PolarHBondContact O-N 3.13Å; D127-Q129 VanDerWaalsContact O-N 3.13Å; D127-N130 WeakPolarHBondContact O-CA 3.48Å; D127-N130 PolarHBondContact O-N 3Å
128Q93.5Very high93.6Very high81 Ų8133.1 Ų33.138%0.37918%0.176SC..Hα-helixtrans-58.4-28.5175.4-75.2174.9-2.600113.6R124 L125 N130R124-Q128 WeakPolarHBondContact O-CB 3.48Å; R124-Q128 VanDerWaalsContact O-CG 3.24Å; R124-Q128 WeakPolarHBondContact O-CG 3.29Å; R124-Q128 PolarHBondContact O-N 3.46Å; L125-Q128 PolarHBondContact O-N 2.93Å; Q128-N130 VanDerWaalsContact C-N 3.34Å
129Q94.1Very high93.4Very high65 Ų6536.1 Ų36.130%0.30419%0.192SC..THydrogen-bonded Turntrans-90.35.6176.7-64-60-71.500113.1L60 L63 L125 L126 D127 S131L60-Q129 HydrophobicContact CD2-CG 4.46Å; L63-Q129 HydrophobicContact CD1-CB 4.45Å; L63-Q129 HydrophobicContact CD1-CG 3.98Å; L125-Q129 HydrophobicContact CD1-CG 4.17Å; L125-Q129 HydrophobicContact CG-CG 4.47Å; L125-Q129 WeakPolarHBondContact O-CB 3.15Å; L125-Q129 VanDerWaalsContact O-CG 3.26Å; L125-Q129 WeakPolarHBondContact O-CG 3.11Å; L125-Q129 PolarHBondContact O-N 2.88Å; L126-Q129 CarbonylContact O-C 3.59Å; L126-Q129 PolarHBondContact O-N 2.89Å; D127-Q129 PolarHBondContact O-N 3.13Å; D127-Q129 VanDerWaalsContact O-N 3.13Å; Q129-S131 PolarHBondContact O-N 3.35Å
130N93.5Very high93.5Very high144 Ų14434.7 Ų34.777%0.7719%0.186SC*.THydrogen-bonded Turntrans50.741.4-174.4-61.3-66000112.5L126 D127 Q128L126-N130 PolarHBondContact O-N 3.01Å; D127-N130 WeakPolarHBondContact O-CA 3.48Å; D127-N130 PolarHBondContact O-N 3Å; Q128-N130 VanDerWaalsContact C-N 3.34Å
131S95.7Very high93.7Very high29 Ų2934.3 Ų34.320%0.20318%0.184CC..  trans-72.7147.9-178-54.60000111.2L126 Q129 V133L126-S131 VanDerWaalsContact O-CB 3.29Å; L126-S131 WeakPolarHBondContact O-CB 3.23Å; L126-S131 PolarHBondContact O-N 3.36Å; L126-S131 PolarHBondContact O-OG 3.36Å; Q129-S131 PolarHBondContact O-N 3.35Å; S131-V133 PolarHBondContact O-N 3.28Å
132N96.6Very high93.7Very high90 Ų9039.5 Ų39.548%0.48120%0.203SC..EExtended strand (participates in β ladder)trans-73.4114.6172.9-60-55.3000109.5P73 L74 F75P73-N132 PolarHBondContact O-ND2 3Å; L74-N132 HydrophobicContact CD1-CB 3.98Å; F75-N132 PolarHBondContact N-O 3.27Å
133V97.1Very high93.8Very high16 Ų1640.8 Ų40.810%0.09721%0.211CC..EExtended strand (participates in β ladder)trans-121.7138.3-180175.90000110.2F75 F77 L126 S131 V135F75-V133 HydrophobicContact CB-CG2 4.36Å; F75-V133 CarbonylContact O-C 3.53Å; F75-V133 WeakPolarHBondContact O-CA 3.28Å; F77-V133 HydrophobicContact CD2-CG1 3.73Å; F77-V133 HydrophobicContact CE2-CG1 3.7Å; F77-V133 HydrophobicContact CE2-CG2 4.31Å; L126-V133 HydrophobicContact CB-CG2 4.27Å; L126-V133 HydrophobicContact CD1-CG2 4.19Å; S131-V133 PolarHBondContact O-N 3.28Å; V133-V135 HydrophobicContact CG1-CG2 4.09Å
134L96.9Very high94.1Very high1 Ų140 Ų401%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-129.1130.8169.8174.561.4000109.1L74 F75 V76 F77 T143 C306 K307 C328L74-L134 HydrophobicContact CD1-CB 4.29Å; F75-L134 PolarHBondContact O-N 2.8Å; V76-L134 CarbonylContact C-O 3.52Å; V76-L134 VanDerWaalsContact CA-O 3.28Å; V76-L134 WeakPolarHBondContact CA-O 3.41Å; V76-L134 HydrophobicContact CG1-CB 4.43Å; V76-L134 HydrophobicContact CG1-CD2 4.25Å; V76-L134 HydrophobicContact CG1-CG 4.3Å; V76-L134 HydrophobicContact CG2-CB 4.41Å; V76-L134 HydrophobicContact CG2-CD2 4.46Å; F77-L134 PolarHBondContact N-O 3.4Å; L134-T143 HydrophobicContact CD2-CG2 3.5Å; L134-T143 HydrophobicContact CG-CG2 4.47Å; L134-C306 HydrophobicContact CD1-CB 4.48Å; L134-C306 HydrophobicContact CD2-CB 3.68Å; L134-K307 HydrophobicContact CD1-CG 3.67Å; L134-C328 WeakPolarHBondContact CA-O 3.33Å
135V95.4Very high94.4Very high0 Ų037.5 Ų37.50%020%0.197CC..EExtended strand (participates in β ladder)trans-115129.8176.1-172.90000109.4F77 V133 T310 Y327 C328 Y333F77-V135 HydrophobicContact CB-CG2 4.46Å; V133-V135 HydrophobicContact CG1-CG2 4.09Å; V135-T310 WeakPolarHBondContact O-CG2 3.49Å; V135-T310 PolarHBondContact O-OG1 3.08Å; V135-T310 VanDerWaalsContact O-OG1 3.13Å; V135-Y327 HydrophobicContact CB-CD1 4.43Å; V135-Y327 HydrophobicContact CB-CE1 4.04Å; V135-Y327 WeakPolarHBondContact CB-O 3.31Å; V135-Y327 HydrophobicContact CG1-CD1 4.29Å; V135-Y327 HydrophobicContact CG1-CE1 3.52Å; V135-Y327 HydrophobicContact CG1-CE2 4.16Å; V135-Y327 VanDerWaalsContact CG1-CZ 3.44Å; V135-Y327 WeakPolarHBondContact CG1-OH 3.42Å; V135-Y327 VanDerWaalsContact CG2-O 3.29Å; V135-Y327 WeakPolarHBondContact CG2-O 3.28Å; V135-C328 PolarHBondContact N-O 2.87Å; V135-Y333 HydrophobicContact CB-CD2 4.2Å; V135-Y333 HydrophobicContact CG1-CD2 3.46Å; V135-Y333 VanDerWaalsContact CG1-CD2 3.46Å; V135-Y333 HydrophobicContact CG1-CE2 3.65Å; V135-Y333 HydrophobicContact CG2-CD2 3.62Å; V135-Y333 HydrophobicContact CG2-CE2 4.38Å
136C94.1Very high94.6Very high5 Ų537.4 Ų37.43%0.03420%0.197CC..  trans-84.3169.7176.4-65.20000112F77 G79 G138 T143 Y327F77-C136 PolarHBondContact O-N 2.81Å; G79-C136 WeakPolarHBondContact CA-O 3.37Å; C136-G138 VanDerWaalsContact CB-O 3.3Å; C136-G138 WeakPolarHBondContact CB-O 3.39Å; C136-T143 PolarHBondContact SG-OG1 3.14Å; C136-T143 VanDerWaalsContact SG-OG1 3.39Å; C136-Y327 WeakPolarHBondContact O-CE1 3.44Å; C136-Y327 PolarHBondContact O-OH 2.99Å
137T89.6Confident94.8Very high29 Ų2937.4 Ų37.418%0.17820%0.197CC..SBendtrans-92.72.9168.941.10000113P80 T310 Q313 L314P80-T137 WeakPolarHBondContact CG-O 3.24Å; T137-T310 HydrophobicContact CG2-CG2 3.89Å; T137-Q313 HydrophobicContact CG2-CB 4.04Å; T137-Q313 PolarHBondContact OG1-OE1 2.99Å; T137-L314 HydrophobicContact CG2-CD1 4.36Å; T137-L314 HydrophobicContact CG2-CD2 3.9Å; T137-L314 HydrophobicContact CG2-CG 3.73Å
138G87.9Confident95Very high20 Ų2033.4 Ų33.421%0.20618%0.176CC..SBendtrans-168.6-147.1-179.500000108.8G79 P80 C136 A140G79-G138 PolarHBondContact N-O 3.35Å; P80-G138 WeakPolarHBondContact O-CA 3.34Å; C136-G138 VanDerWaalsContact CB-O 3.3Å; C136-G138 WeakPolarHBondContact CB-O 3.39Å; G138-A140 PolarHBondContact O-N 2.87Å
139D88.3Confident95.2Very high64 Ų6430.9 Ų30.934%0.34216%0.164SC..  trans-57.6137.4-179.7-66-43.6000113.5K87K87-D139 VanDerWaalsContact CD-OD1 3.24Å; K87-D139 WeakPolarHBondContact CD-OD1 3.31Å; K87-D139 VanDerWaalsContact CD-OD2 3.3Å; K87-D139 WeakPolarHBondContact CD-OD2 3.46Å; K87-D139 VanDerWaalsContact CE-CG 3.41Å; K87-D139 WeakPolarHBondContact CE-OD1 3.39Å; K87-D139 WeakPolarHBondContact CE-OD2 3.47Å; K87-D139 IonicContact NZ-OD1 3.43Å; K87-D139 PolarHBondContact NZ-OD1 2.6Å; K87-D139 IonicContact NZ-OD2 4Å; K87-D139 PolarHBondContact NZ-OD2 3.23Å
140A93.8Very high95.4Very high0 Ų033.6 Ų33.60%017%0.173CC..SBendtrans-84.3-17.5179.500000113.6V76 D78 G138 R142 T143 I144V76-A140 HydrophobicContact CG1-CB 3.93Å; D78-A140 VanDerWaalsContact OD1-CB 3.31Å; D78-A140 WeakPolarHBondContact OD1-CB 3.11Å; D78-A140 PolarHBondContact OD1-N 2.79Å; G138-A140 PolarHBondContact O-N 2.87Å; A140-R142 PolarHBondContact O-N 3.25Å; A140-T143 CarbonylContact O-C 3.56Å; A140-T143 WeakPolarHBondContact O-CA 3.29Å; A140-T143 WeakPolarHBondContact O-CB 3.27Å; A140-T143 PolarHBondContact O-N 3.48Å; A140-I144 HydrophobicContact CB-CD1 3.75Å; A140-I144 HydrophobicContact CB-CG1 4.23Å; A140-I144 WeakPolarHBondContact O-CG1 3.2Å; A140-I144 PolarHBondContact O-N 3.42Å
141D94.6Very high95.7Very high8 Ų829 Ų294%0.04315%0.148CC..Hα-helixtrans-50.9-52.8-169-57.1-88.1000113.5K87 T143 I144 A145 F162 F165 F295K87-D141 IonicContact NZ-OD2 3.36Å; K87-D141 PolarHBondContact NZ-OD2 3.08Å; D141-T143 VanDerWaalsContact C-N 3.34Å; D141-T143 PolarHBondContact O-N 2.91Å; D141-I144 PolarHBondContact O-N 3.11Å; D141-A145 PolarHBondContact O-N 2.93Å; D141-F162 HydrophobicContact CB-CZ 4.43Å; D141-F165 HydrophobicContact CB-CE2 4.09Å; D141-F165 HydrophobicContact CB-CZ 4.15Å; D141-F295 HydrophobicContact CB-CE2 4.48Å; D141-F295 HydrophobicContact CB-CZ 3.83Å
142R95.1Very high95.8Very high116 Ų11631.4 Ų31.444%0.43816%0.159SC..Hα-helixtrans-67-36179.9-63.7-17675-1562.7112A140 A146 F165 S294 F295 N297 V298A140-R142 PolarHBondContact O-N 3.25Å; R142-A146 VanDerWaalsContact O-CB 3.23Å; R142-A146 WeakPolarHBondContact O-CB 3.45Å; R142-A146 PolarHBondContact O-N 2.99Å; R142-F165 HydrophobicContact CG-CE1 4.37Å; R142-F165 HydrophobicContact CG-CZ 4.29Å; R142-S294 PolarHBondContact NH2-O 3.09Å; R142-F295 HydrophobicContact CG-CD2 3.96Å; R142-F295 HydrophobicContact CG-CE2 3.86Å; R142-F295 HydrophobicContact CG-CZ 4.48Å; R142-F295 PolarHBondContact NE-O 3.4Å; R142-N297 PolarHBondContact NH2-O 3.1Å; R142-V298 HydrophobicContact CB-CG2 4.13Å; R142-V298 HydrophobicContact CG-CG2 4.14Å
143T97.1Very high95.9Very high28 Ų2827.2 Ų27.217%0.17214%0.137CC..Hα-helixtrans-68.6-41.4176.9-60.20000111.1V76 L134 C136 A140 D141 A146 C147 C306V76-T143 HydrophobicContact CG1-CG2 3.93Å; L134-T143 HydrophobicContact CD2-CG2 3.5Å; L134-T143 HydrophobicContact CG-CG2 4.47Å; C136-T143 PolarHBondContact SG-OG1 3.14Å; C136-T143 VanDerWaalsContact SG-OG1 3.39Å; A140-T143 CarbonylContact O-C 3.56Å; A140-T143 WeakPolarHBondContact O-CA 3.29Å; A140-T143 WeakPolarHBondContact O-CB 3.27Å; A140-T143 PolarHBondContact O-N 3.48Å; D141-T143 VanDerWaalsContact C-N 3.34Å; D141-T143 PolarHBondContact O-N 2.91Å; T143-A146 PolarHBondContact O-N 2.61Å; T143-C147 WeakPolarHBondContact O-CB 3.3Å; T143-C147 PolarHBondContact O-N 2.59Å; T143-C147 PolarHBondContact O-SG 3.12Å; T143-C147 VanDerWaalsContact O-SG 3.42Å; T143-C306 HydrophobicContact CG2-CB 4.08Å
144I98.4Very high95.9Very high1 Ų126.6 Ų26.61%0.00513%0.133CC..Hα-helixtrans-58.5-51.7174.4-71.3161.8000109.6V28 D30 V76 A140 D141 A146 C147 A148 V155 F162V28-I144 HydrophobicContact CB-CG2 4.39Å; V28-I144 HydrophobicContact CG1-CB 4.23Å; V28-I144 HydrophobicContact CG1-CG1 4.26Å; V28-I144 HydrophobicContact CG1-CG2 3.85Å; D30-I144 HydrophobicContact CB-CD1 3.83Å; V76-I144 HydrophobicContact CB-CD1 4.28Å; V76-I144 HydrophobicContact CB-CG1 3.57Å; V76-I144 HydrophobicContact CG1-CG1 3.9Å; V76-I144 HydrophobicContact CG2-CG1 4Å; A140-I144 HydrophobicContact CB-CD1 3.75Å; A140-I144 HydrophobicContact CB-CG1 4.23Å; A140-I144 WeakPolarHBondContact O-CG1 3.2Å; A140-I144 PolarHBondContact O-N 3.42Å; D141-I144 PolarHBondContact O-N 3.11Å; I144-A146 PolarHBondContact O-N 2.85Å; I144-C147 PolarHBondContact O-N 3.3Å; I144-A148 VanDerWaalsContact O-CB 3.27Å; I144-A148 WeakPolarHBondContact O-CB 3.36Å; I144-A148 PolarHBondContact O-N 3.12Å; I144-V155 HydrophobicContact CG2-CB 4.38Å; I144-V155 HydrophobicContact CG2-CG1 3.58Å; I144-V155 HydrophobicContact CG2-CG2 3.84Å; I144-F162 HydrophobicContact CB-CE1 3.85Å; I144-F162 HydrophobicContact CB-CZ 3.84Å; I144-F162 HydrophobicContact CD1-CZ 3.83Å; I144-F162 HydrophobicContact CG1-CZ 4.44Å; I144-F162 HydrophobicContact CG2-CD1 4.37Å; I144-F162 HydrophobicContact CG2-CE1 3.4Å; I144-F162 HydrophobicContact CG2-CZ 3.56Å
145A98.1Very high96Very high0 Ų026.6 Ų26.60%013%0.133CC..Hα-helixtrans-60.4-46.2177.900000111.8D141 C147 A148 I149 F165 L167 V298D141-A145 PolarHBondContact O-N 2.93Å; A145-C147 PolarHBondContact O-N 3.38Å; A145-A148 PolarHBondContact O-N 2.99Å; A145-I149 WeakPolarHBondContact O-CD1 3.47Å; A145-I149 WeakPolarHBondContact O-CG1 3.36Å; A145-I149 PolarHBondContact O-N 3.23Å; A145-F165 HydrophobicContact CB-CB 4.15Å; A145-F165 HydrophobicContact CB-CD1 3.61Å; A145-F165 HydrophobicContact CB-CD2 4.34Å; A145-F165 HydrophobicContact CB-CE1 4.04Å; A145-F165 HydrophobicContact CB-CG 3.78Å; A145-L167 HydrophobicContact CB-CD2 4.09Å; A145-V298 HydrophobicContact CB-CB 4.49Å; A145-V298 HydrophobicContact CB-CG1 4.16Å; A145-V298 HydrophobicContact CB-CG2 4.49Å
146A98.3Very high96.1Very high2 Ų226.6 Ų26.62%0.01713%0.133CC..Hα-helixtrans-60.4-46.6-18000000112.4R142 T143 I144 I149 Y150 V298 K299 L301R142-A146 VanDerWaalsContact O-CB 3.23Å; R142-A146 WeakPolarHBondContact O-CB 3.45Å; R142-A146 PolarHBondContact O-N 2.99Å; T143-A146 PolarHBondContact O-N 2.61Å; I144-A146 PolarHBondContact O-N 2.85Å; A146-I149 PolarHBondContact O-N 3.37Å; A146-Y150 WeakPolarHBondContact O-CB 3.29Å; A146-Y150 PolarHBondContact O-N 2.77Å; A146-V298 HydrophobicContact CB-CG1 3.58Å; A146-K299 VanDerWaalsContact CB-O 3.25Å; A146-K299 WeakPolarHBondContact CB-O 3.22Å; A146-L301 HydrophobicContact CB-CB 3.98Å; A146-L301 HydrophobicContact CB-CD1 4.17Å; A146-L301 HydrophobicContact CB-CG 4.16Å; A146-L301 PolarHBondContact O-N 3.22Å
147C98.6Very high96.2Very high0 Ų026.4 Ų26.40%013%0.132CC..Hα-helixtrans-68.1-36.9178-71.20000111.9V28 L74 T143 I144 A145 Y150 L151 C306V28-C147 HydrophobicContact CG1-CB 4.5Å; V28-C147 HydrophobicContact CG2-CB 4.16Å; L74-C147 HydrophobicContact CD2-CB 3.89Å; T143-C147 WeakPolarHBondContact O-CB 3.3Å; T143-C147 PolarHBondContact O-N 2.59Å; T143-C147 PolarHBondContact O-SG 3.12Å; T143-C147 VanDerWaalsContact O-SG 3.42Å; I144-C147 PolarHBondContact O-N 3.3Å; A145-C147 PolarHBondContact O-N 3.38Å; C147-Y150 PolarHBondContact O-N 3.35Å; C147-L151 VanDerWaalsContact O-CB 3.3Å; C147-L151 WeakPolarHBondContact O-CB 3.3Å; C147-L151 VanDerWaalsContact O-CG 3.31Å; C147-L151 WeakPolarHBondContact O-CG 3.32Å; C147-L151 PolarHBondContact O-N 3.1Å; C147-C306 VanDerWaalsContact SG-SG 3.7Å
148A98.6Very high96.2Very high2 Ų226 Ų262%0.01713%0.128CC..Hα-helixtrans-67.3-38.2177.800000112.3V28 I144 A145 N152 C153 V155 L167V28-A148 HydrophobicContact CB-CB 4.21Å; V28-A148 HydrophobicContact CG2-CB 3.86Å; I144-A148 VanDerWaalsContact O-CB 3.27Å; I144-A148 WeakPolarHBondContact O-CB 3.36Å; I144-A148 PolarHBondContact O-N 3.12Å; A145-A148 PolarHBondContact O-N 2.99Å; A148-N152 VanDerWaalsContact O-CA 3.29Å; A148-N152 WeakPolarHBondContact O-CA 3.3Å; A148-N152 PolarHBondContact O-N 3.41Å; A148-C153 PolarHBondContact O-N 2.72Å; A148-V155 HydrophobicContact CB-CG2 3.4Å; A148-L167 HydrophobicContact CB-CD2 4.16Å
149I98.2Very high96.4Very high28 Ų2826 Ų2614%0.14412%0.123CC..Hα-helixtrans-66.1-44.2173.5-61.7161.8000109.9A145 A146 N152 P166 V298 A300A145-I149 WeakPolarHBondContact O-CD1 3.47Å; A145-I149 WeakPolarHBondContact O-CG1 3.36Å; A145-I149 PolarHBondContact O-N 3.23Å; A146-I149 PolarHBondContact O-N 3.37Å; I149-N152 PolarHBondContact O-N 3.19Å; I149-P166 HydrophobicContact CD1-CG 4.24Å; I149-V298 HydrophobicContact CD1-CG1 4.41Å; I149-A300 HydrophobicContact CB-CB 4.32Å; I149-A300 HydrophobicContact CG2-CB 3.87Å
150Y98.3Very high96.5Very high122 Ų12223 Ų2348%0.47811%0.107SC..Hα-helixtrans-62.8-50.2178.5176.6-95.9000112.8A146 C147 N152 L301 S302A146-Y150 WeakPolarHBondContact O-CB 3.29Å; A146-Y150 PolarHBondContact O-N 2.77Å; C147-Y150 PolarHBondContact O-N 3.35Å; Y150-N152 PolarHBondContact O-N 3.18Å; Y150-L301 VanDerWaalsContact CB-O 3.23Å; Y150-L301 WeakPolarHBondContact CB-O 3.21Å; Y150-S302 VanDerWaalsContact CZ-CB 3.44Å
151L98.2Very high96.5Very high49 Ų4923.1 Ų23.126%0.25711%0.108SC..THydrogen-bonded Turntrans-74.7-6177.6-64.8174.8000112.6V28 L74 C147 C153V28-L151 HydrophobicContact CG2-CD1 4.13Å; L74-L151 HydrophobicContact CD2-CD1 4.16Å; C147-L151 VanDerWaalsContact O-CB 3.3Å; C147-L151 WeakPolarHBondContact O-CB 3.3Å; C147-L151 VanDerWaalsContact O-CG 3.31Å; C147-L151 WeakPolarHBondContact O-CG 3.32Å; C147-L151 PolarHBondContact O-N 3.1Å; L151-C153 HydrophobicContact CB-CB 4.37Å; L151-C153 PolarHBondContact O-N 3.11Å
152N97.9Very high96.5Very high79 Ų7922.8 Ų22.842%0.42211%0.106SC..THydrogen-bonded Turntrans47.456.4-176.5-169.430.8000111.8A148 I149 Y150 K169A148-N152 VanDerWaalsContact O-CA 3.29Å; A148-N152 WeakPolarHBondContact O-CA 3.3Å; A148-N152 PolarHBondContact O-N 3.41Å; I149-N152 PolarHBondContact O-N 3.19Å; Y150-N152 PolarHBondContact O-N 3.18Å; N152-K169 VanDerWaalsContact C-CG 3.4Å; N152-K169 WeakPolarHBondContact ND2-CE 3.29Å; N152-K169 WeakPolarHBondContact O-CG 3.44Å; N152-K169 VanDerWaalsContact OD1-CE 3.29Å; N152-K169 WeakPolarHBondContact OD1-CE 3.49Å
153C98.5Very high96.4Very high2 Ų217.4 Ų17.41%0.0149%0.086CC..  trans-142.3161.4-171.477.90000113.1H26 A148 L151 K169H26-C153 HydrophobicContact CB-CB 3.8Å; H26-C153 WeakPolarHBondContact O-CB 3.45Å; A148-C153 PolarHBondContact O-N 2.72Å; L151-C153 HydrophobicContact CB-CB 4.37Å; L151-C153 PolarHBondContact O-N 3.11Å; C153-K169 VanDerWaalsContact C-CB 3.42Å
154P98.4Very high96.2Very high3 Ų316.6 Ų16.62%0.0198%0.081CC..  trans-68153.2-178.6-19.932.3000113.3V27 V28 K169 G170 I172 I192V27-P154 WeakPolarHBondContact CA-O 3.4Å; V28-P154 PolarHBondContact N-O 2.94Å; P154-K169 HydrophobicContact CG-CB 4.08Å; P154-G170 WeakPolarHBondContact CA-O 3.45Å; P154-I172 HydrophobicContact CB-CD1 3.83Å; P154-I172 HydrophobicContact CB-CG1 4.24Å; P154-I172 HydrophobicContact CG-CD1 4.38Å; P154-I192 HydrophobicContact CB-CD1 4.3Å; P154-I192 HydrophobicContact CG-CD1 4.27Å
155V98.6Very high96Very high0 Ų016.8 Ų16.80%08%0.081CC..EExtended strand (participates in β ladder)trans-95.4138.7167.71740000110.3V28 I144 A148 F162 L167 G170 Y171 I172V28-V155 CarbonylContact O-C 3.46Å; V28-V155 VanDerWaalsContact O-CA 3.29Å; V28-V155 WeakPolarHBondContact O-CA 3.49Å; I144-V155 HydrophobicContact CG2-CB 4.38Å; I144-V155 HydrophobicContact CG2-CG1 3.58Å; I144-V155 HydrophobicContact CG2-CG2 3.84Å; A148-V155 HydrophobicContact CB-CG2 3.4Å; V155-F162 HydrophobicContact CG1-CD1 3.82Å; V155-F162 HydrophobicContact CG1-CD2 4.36Å; V155-F162 HydrophobicContact CG1-CE1 4Å; V155-F162 HydrophobicContact CG1-CG 4.01Å; V155-F162 HydrophobicContact CG1-CZ 4.34Å; V155-L167 HydrophobicContact CB-CD1 3.85Å; V155-L167 HydrophobicContact CG2-CD1 3.65Å; V155-L167 HydrophobicContact CG2-CD2 3.75Å; V155-L167 HydrophobicContact CG2-CG 4.33Å; V155-G170 PolarHBondContact N-O 3.08Å; V155-G170 VanDerWaalsContact N-O 3.14Å; V155-Y171 HydrophobicContact CB-CD2 4.41Å; V155-Y171 HydrophobicContact CG1-CD2 4.24Å; V155-I172 PolarHBondContact O-N 3Å
156I97.6Very high95.7Very high1 Ų119.8 Ų19.81%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-111.6118.8166.6-60.4168.7000108.7L22 V27 V28 I29 D30 I172 F174 I177L22-I156 HydrophobicContact CD2-CD1 4.14Å; V27-I156 HydrophobicContact CB-CD1 4.17Å; V27-I156 HydrophobicContact CG1-CD1 4.2Å; V27-I156 HydrophobicContact CG2-CD1 4.14Å; V28-I156 PolarHBondContact O-N 3.4Å; I29-I156 WeakPolarHBondContact CA-O 3.45Å; I29-I156 HydrophobicContact CD1-CD1 4.07Å; I29-I156 HydrophobicContact CG1-CB 4.16Å; I29-I156 HydrophobicContact CG1-CD1 4.14Å; I29-I156 HydrophobicContact CG2-CB 4.25Å; I29-I156 HydrophobicContact CG2-CG2 4.37Å; D30-I156 PolarHBondContact N-O 3.17Å; I156-I172 WeakPolarHBondContact CA-O 3.3Å; I156-I172 HydrophobicContact CG1-CB 3.99Å; I156-I172 HydrophobicContact CG1-CD1 4.34Å; I156-I172 HydrophobicContact CG1-CG2 4.26Å; I156-F174 HydrophobicContact CG2-CB 4.24Å; I156-F174 HydrophobicContact CG2-CD2 3.96Å; I156-I177 HydrophobicContact CD1-CD1 4.2Å; I156-I177 HydrophobicContact CG2-CD1 3.95Å
157S95.9Very high95.6Very high1 Ų120.1 Ų20.11%0.00710%0.103CC..EExtended strand (participates in β ladder)trans-157.5-175.9173.31770000109.8D30 D159 F162 Y171 I172 P173 F174D30-S157 PolarHBondContact OD2-OG 3.33Å; S157-D159 PolarHBondContact OG-N 2.89Å; S157-D159 VanDerWaalsContact OG-N 3.11Å; S157-F162 WeakPolarHBondContact OG-CE2 2.86Å; S157-Y171 PolarHBondContact O-OH 3.37Å; S157-Y171 VanDerWaalsContact O-OH 3.09Å; S157-I172 PolarHBondContact N-O 3.41Å; S157-P173 CarbonylContact O-C 3.58Å; S157-P173 WeakPolarHBondContact O-CA 3.19Å; S157-F174 PolarHBondContact O-N 3.01Å
158M90.6Very high95.4Very high20 Ų2024.7 Ų24.710%0.09913%0.127CC..SBendtrans-117.20.4168-72.6-65.5-55.400112.2R37 Y171 F174 N175R37-M158 HydrophobicContact CG-CG 4.01Å; M158-Y171 WeakPolarHBondContact CA-OH 3.31Å; M158-F174 HydrophobicContact CG-CB 3.89Å; M158-F174 HydrophobicContact SD-CB 3.83Å; M158-N175 HydrophobicContact CE-CB 4.24Å; M158-N175 HydrophobicContact SD-CB 3.97Å
159D90.8Very high95.3Very high21 Ų2129.4 Ų29.411%0.11215%0.147CC..  trans-80.5129.4179-155.8-50.8000110.8M1 G2 S157 D161 F162 Y171M1-D159 VanDerWaalsContact CB-OD2 3.31Å; M1-D159 WeakPolarHBondContact CB-OD2 3.22Å; G2-D159 WeakPolarHBondContact CA-OD1 3.23Å; G2-D159 PolarHBondContact N-OD1 3.34Å; S157-D159 PolarHBondContact OG-N 2.89Å; S157-D159 VanDerWaalsContact OG-N 3.11Å; D159-D161 PolarHBondContact O-N 3.02Å; D159-D161 WeakPolarHBondContact OD1-CB 3.07Å; D159-D161 PolarHBondContact OD1-N 2.87Å; D159-F162 HydrophobicContact CB-CD2 3.86Å; D159-F162 HydrophobicContact CB-CE2 3.97Å; D159-F162 PolarHBondContact O-N 3.09Å; D159-Y171 PolarHBondContact O-OH 2.68Å
160S91.8Very high95.2Very high0 Ų028.1 Ų28.10%014%0.141CC..G310 helixtrans-74.4-11.1179.441.80000113.4G2 I3 T7 F162 L163G2-S160 VanDerWaalsContact C-OG 3.23Å; G2-S160 WeakPolarHBondContact CA-OG 3.3Å; I3-S160 PolarHBondContact N-OG 3.4Å; I3-S160 PolarHBondContact O-OG 3.02Å; T7-S160 WeakPolarHBondContact OG1-CB 3.49Å; S160-F162 PolarHBondContact O-N 3.49Å; S160-L163 VanDerWaalsContact O-CB 3.28Å; S160-L163 WeakPolarHBondContact O-CB 3.36Å; S160-L163 PolarHBondContact O-N 3.31Å
161D92.2Very high95.2Very high2 Ų222.5 Ų22.51%0.01112%0.119CC..G310 helixtrans-59.9-29.2169.8-79-39000112.1D159 L163 V164 F165 Y296D159-D161 PolarHBondContact O-N 3.02Å; D159-D161 WeakPolarHBondContact OD1-CB 3.07Å; D159-D161 PolarHBondContact OD1-N 2.87Å; D161-L163 PolarHBondContact O-N 2.96Å; D161-V164 PolarHBondContact O-N 3.49Å; D161-F165 HydrophobicContact CB-CD2 4.44Å; D161-F165 HydrophobicContact CB-CE2 4.04Å; D161-F165 VanDerWaalsContact O-CD2 3.28Å; D161-F165 WeakPolarHBondContact O-CD2 3.19Å; D161-F165 PolarHBondContact O-N 3.46Å; D161-F165 VanDerWaalsContact O-N 3.11Å; D161-Y296 HydrophobicContact CB-CE1 4.14Å; D161-Y296 PolarHBondContact OD1-OH 3.49Å
162F94.7Very high95.1Very high1 Ų120.2 Ų20.20%0.00411%0.107CC..G310 helixtrans-70.1-10.3174.4-65.2-68.2000114.5D141 I144 V155 S157 D159 S160 V164 F165 L167 Y171D141-F162 HydrophobicContact CB-CZ 4.43Å; I144-F162 HydrophobicContact CB-CE1 3.85Å; I144-F162 HydrophobicContact CB-CZ 3.84Å; I144-F162 HydrophobicContact CD1-CZ 3.83Å; I144-F162 HydrophobicContact CG1-CZ 4.44Å; I144-F162 HydrophobicContact CG2-CD1 4.37Å; I144-F162 HydrophobicContact CG2-CE1 3.4Å; I144-F162 HydrophobicContact CG2-CZ 3.56Å; V155-F162 HydrophobicContact CG1-CD1 3.82Å; V155-F162 HydrophobicContact CG1-CD2 4.36Å; V155-F162 HydrophobicContact CG1-CE1 4Å; V155-F162 HydrophobicContact CG1-CG 4.01Å; V155-F162 HydrophobicContact CG1-CZ 4.34Å; S157-F162 WeakPolarHBondContact OG-CE2 2.86Å; D159-F162 HydrophobicContact CB-CD2 3.86Å; D159-F162 HydrophobicContact CB-CE2 3.97Å; D159-F162 PolarHBondContact O-N 3.09Å; S160-F162 PolarHBondContact O-N 3.49Å; F162-V164 PolarHBondContact O-N 3.28Å; F162-F165 AromaticContact CD1-CD2 3.71Å; F162-F165 HydrophobicContact CD1-CD2 3.71Å; F162-F165 HydrophobicContact CD1-CE2 4.32Å; F162-F165 HydrophobicContact CD1-CG 4.5Å; F162-F165 HydrophobicContact CE1-CD2 4.07Å; F162-F165 HydrophobicContact CE1-CE2 4.29Å; F162-F165 HydrophobicContact CG-CD2 4.38Å; F162-L167 HydrophobicContact CB-CD1 4.22Å; F162-L167 HydrophobicContact CD1-CD1 4.18Å; F162-Y171 HydrophobicContact CB-CD2 3.39Å; F162-Y171 HydrophobicContact CB-CE2 3.61Å; F162-Y171 HydrophobicContact CB-CG 3.89Å; F162-Y171 HydrophobicContact CD2-CE2 4.2Å; F162-Y171 HydrophobicContact CG-CD2 4.18Å; F162-Y171 HydrophobicContact CG-CE2 4.22Å
163L93Very high94.9Very high4 Ų416.7 Ų16.72%0.0219%0.088CC..G310 helixtrans-76.4-11.1168.6-61.2166.3000112.1L6 V10 S160 D161 Y171 Y193L6-L163 HydrophobicContact CB-CD1 4.49Å; L6-L163 HydrophobicContact CD2-CB 3.83Å; L6-L163 HydrophobicContact CD2-CD1 3.88Å; L6-L163 HydrophobicContact CD2-CG 4.5Å; L6-L163 HydrophobicContact CG-CB 4.47Å; L6-L163 HydrophobicContact CG-CD1 3.7Å; V10-L163 HydrophobicContact CG1-CD2 4.44Å; V10-L163 HydrophobicContact CG2-CD1 4.09Å; V10-L163 HydrophobicContact CG2-CD2 4.3Å; S160-L163 VanDerWaalsContact O-CB 3.28Å; S160-L163 WeakPolarHBondContact O-CB 3.36Å; S160-L163 PolarHBondContact O-N 3.31Å; D161-L163 PolarHBondContact O-N 2.96Å; L163-Y171 HydrophobicContact CD2-CD1 3.52Å; L163-Y171 HydrophobicContact CD2-CE1 3.79Å; L163-Y171 HydrophobicContact CG-CD1 4.12Å; L163-Y171 HydrophobicContact CG-CE1 4.08Å; L163-Y193 HydrophobicContact CB-CE1 4.06Å; L163-Y193 HydrophobicContact CD2-CD1 3.48Å; L163-Y193 VanDerWaalsContact CD2-CD1 3.48Å; L163-Y193 HydrophobicContact CD2-CD2 3.77Å; L163-Y193 HydrophobicContact CD2-CE1 3.83Å; L163-Y193 HydrophobicContact CD2-CE2 4.11Å; L163-Y193 HydrophobicContact CD2-CG 3.41Å; L163-Y193 VanDerWaalsContact CD2-CG 3.41Å; L163-Y193 WeakPolarHBondContact O-CE1 3.19Å; L163-Y193 VanDerWaalsContact O-CZ 3.32Å; L163-Y193 PolarHBondContact O-OH 2.96Å
164V93Very high94.7Very high10 Ų1016.8 Ų16.86%0.0619%0.089CC..THydrogen-bonded Turntrans-116.3-31.1-177175.60000113I3 L6 D161 F162 L210 P211 A214 Y296I3-V164 HydrophobicContact CD1-CB 4.25Å; I3-V164 HydrophobicContact CD1-CG2 3.33Å; L6-V164 HydrophobicContact CD2-CG2 4.3Å; D161-V164 PolarHBondContact O-N 3.49Å; F162-V164 PolarHBondContact O-N 3.28Å; V164-L210 HydrophobicContact CG1-CB 4.22Å; V164-P211 HydrophobicContact CG1-CG 4.27Å; V164-A214 HydrophobicContact CB-CB 4.42Å; V164-A214 HydrophobicContact CG1-CB 4Å; V164-A214 HydrophobicContact CG2-CB 4.07Å; V164-Y296 HydrophobicContact CB-CD1 4.11Å; V164-Y296 HydrophobicContact CB-CE1 3.99Å; V164-Y296 HydrophobicContact CG1-CD1 3.73Å; V164-Y296 HydrophobicContact CG1-CD2 4.48Å; V164-Y296 HydrophobicContact CG1-CE1 3.91Å; V164-Y296 HydrophobicContact CG1-CG 4.04Å
165F94.4Very high94.3Very high5 Ų520.9 Ų20.92%0.02211%0.11CC..SBendtrans-52.5144.1172.7-80.7-69.4000111.6D141 R142 A145 D161 F162 L167 F295 Y296 V298D141-F165 HydrophobicContact CB-CE2 4.09Å; D141-F165 HydrophobicContact CB-CZ 4.15Å; R142-F165 HydrophobicContact CG-CE1 4.37Å; R142-F165 HydrophobicContact CG-CZ 4.29Å; A145-F165 HydrophobicContact CB-CB 4.15Å; A145-F165 HydrophobicContact CB-CD1 3.61Å; A145-F165 HydrophobicContact CB-CD2 4.34Å; A145-F165 HydrophobicContact CB-CE1 4.04Å; A145-F165 HydrophobicContact CB-CG 3.78Å; D161-F165 HydrophobicContact CB-CD2 4.44Å; D161-F165 HydrophobicContact CB-CE2 4.04Å; D161-F165 VanDerWaalsContact O-CD2 3.28Å; D161-F165 WeakPolarHBondContact O-CD2 3.19Å; D161-F165 PolarHBondContact O-N 3.46Å; D161-F165 VanDerWaalsContact O-N 3.11Å; F162-F165 AromaticContact CD1-CD2 3.71Å; F162-F165 HydrophobicContact CD1-CD2 3.71Å; F162-F165 HydrophobicContact CD1-CE2 4.32Å; F162-F165 HydrophobicContact CD1-CG 4.5Å; F162-F165 HydrophobicContact CE1-CD2 4.07Å; F162-F165 HydrophobicContact CE1-CE2 4.29Å; F162-F165 HydrophobicContact CG-CD2 4.38Å; F165-L167 HydrophobicContact CB-CD1 4.47Å; F165-L167 HydrophobicContact CB-CD2 4.18Å; F165-L167 HydrophobicContact CB-CG 3.95Å; F165-L167 PolarHBondContact O-N 3.47Å; F165-F295 HydrophobicContact CE2-CE1 4.06Å; F165-F295 HydrophobicContact CE2-CZ 4.48Å; F165-F295 HydrophobicContact CZ-CD1 4.08Å; F165-F295 AromaticContact CZ-CE1 3.59Å; F165-F295 HydrophobicContact CZ-CE1 3.59Å; F165-F295 AromaticContact CZ-CZ 3.95Å; F165-F295 HydrophobicContact CZ-CZ 3.95Å; F165-Y296 HydrophobicContact CD1-CD1 4.23Å; F165-Y296 HydrophobicContact CD2-CD1 4.43Å; F165-Y296 HydrophobicContact CE1-CD1 4.16Å; F165-Y296 HydrophobicContact CE2-CD1 4.38Å; F165-Y296 HydrophobicContact CG-CD1 4.36Å; F165-Y296 HydrophobicContact CZ-CD1 4.25Å; F165-V298 HydrophobicContact CD1-CG2 3.94Å; F165-V298 HydrophobicContact CE1-CG2 3.56Å
166P92.4Very high94Very high63 Ų6322 Ų2241%0.40912%0.118SC..  trans-77.763.6-176.432.9-36.1000111.9I149 N168I149-P166 HydrophobicContact CD1-CG 4.24Å; P166-N168 PolarHBondContact O-N 2.83Å
167L95.6Very high93.8Very high10 Ų1022.6 Ų22.65%0.05212%0.121CC..  trans-83103.6-175.3-59.2178.1000111.5A145 A148 V155 F162 F165 K169 G170A145-L167 HydrophobicContact CB-CD2 4.09Å; A148-L167 HydrophobicContact CB-CD2 4.16Å; V155-L167 HydrophobicContact CB-CD1 3.85Å; V155-L167 HydrophobicContact CG2-CD1 3.65Å; V155-L167 HydrophobicContact CG2-CD2 3.75Å; V155-L167 HydrophobicContact CG2-CG 4.33Å; F162-L167 HydrophobicContact CB-CD1 4.22Å; F162-L167 HydrophobicContact CD1-CD1 4.18Å; F165-L167 HydrophobicContact CB-CD1 4.47Å; F165-L167 HydrophobicContact CB-CD2 4.18Å; F165-L167 HydrophobicContact CB-CG 3.95Å; F165-L167 PolarHBondContact O-N 3.47Å; L167-K169 PolarHBondContact O-N 3.36Å; L167-K169 VanDerWaalsContact O-N 3.13Å; L167-G170 PolarHBondContact O-N 3.07Å
168N94Very high93.5Very high95 Ų9525 Ų2551%0.50813%0.134SC..THydrogen-bonded Turntrans-55.6-33.3-177.4-66.7-27.9000114.6P166P166-N168 PolarHBondContact O-N 2.83Å
169K96.7Very high93.3Very high101 Ų10125.6 Ų25.644%0.43914%0.137SC..THydrogen-bonded Turntrans-105.110.7179.4-65.9-53.1-172.2176.20113.8N152 C153 P154 L167 I192N152-K169 VanDerWaalsContact C-CG 3.4Å; N152-K169 WeakPolarHBondContact ND2-CE 3.29Å; N152-K169 WeakPolarHBondContact O-CG 3.44Å; N152-K169 VanDerWaalsContact OD1-CE 3.29Å; N152-K169 WeakPolarHBondContact OD1-CE 3.49Å; C153-K169 VanDerWaalsContact C-CB 3.42Å; P154-K169 HydrophobicContact CG-CB 4.08Å; L167-K169 PolarHBondContact O-N 3.36Å; L167-K169 VanDerWaalsContact O-N 3.13Å; K169-I192 VanDerWaalsContact O-CD1 3.28Å; K169-I192 WeakPolarHBondContact O-CD1 3.31Å
170G96.8Very high92.9Very high2 Ų228.8 Ų28.82%0.02116%0.161CC..  trans79.3-176174.500000115P154 V155 L167 Y193P154-G170 WeakPolarHBondContact CA-O 3.45Å; V155-G170 PolarHBondContact N-O 3.08Å; V155-G170 VanDerWaalsContact N-O 3.14Å; L167-G170 PolarHBondContact O-N 3.07Å; G170-Y193 CarbonylContact C-O 3.57Å; G170-Y193 WeakPolarHBondContact CA-O 3.47Å
171Y97.4Very high91.6Very high4 Ų430.5 Ų30.52%0.01617%0.17CC..EExtended strand (participates in β ladder)trans-126.7132.7-173.8164.1-110.6000109.4V155 S157 M158 D159 F162 L163 P173 I192 Y193V155-Y171 HydrophobicContact CB-CD2 4.41Å; V155-Y171 HydrophobicContact CG1-CD2 4.24Å; S157-Y171 PolarHBondContact O-OH 3.37Å; S157-Y171 VanDerWaalsContact O-OH 3.09Å; M158-Y171 WeakPolarHBondContact CA-OH 3.31Å; D159-Y171 PolarHBondContact O-OH 2.68Å; F162-Y171 HydrophobicContact CB-CD2 3.39Å; F162-Y171 HydrophobicContact CB-CE2 3.61Å; F162-Y171 HydrophobicContact CB-CG 3.89Å; F162-Y171 HydrophobicContact CD2-CE2 4.2Å; F162-Y171 HydrophobicContact CG-CD2 4.18Å; F162-Y171 HydrophobicContact CG-CE2 4.22Å; L163-Y171 HydrophobicContact CD2-CD1 3.52Å; L163-Y171 HydrophobicContact CD2-CE1 3.79Å; L163-Y171 HydrophobicContact CG-CD1 4.12Å; L163-Y171 HydrophobicContact CG-CE1 4.08Å; Y171-P173 HydrophobicContact CD1-CG 4.08Å; Y171-P173 HydrophobicContact CE1-CB 4.19Å; Y171-P173 HydrophobicContact CE1-CG 3.63Å; Y171-I192 WeakPolarHBondContact O-CA 3.48Å; Y171-Y193 PolarHBondContact N-O 2.96Å; Y171-Y193 PolarHBondContact O-N 3.21Å
172I97Very high90.1Very high0 Ų038.7 Ų38.70%021%0.211CC..EExtended strand (participates in β ladder)trans-109.9106.2177.7-61.8171.6000106.8Y20 L22 P154 V155 I156 S157 F174 I177 C190 I192Y20-I172 HydrophobicContact CD1-CD1 4.23Å; Y20-I172 HydrophobicContact CE1-CD1 4.23Å; L22-I172 HydrophobicContact CD1-CD1 4.04Å; L22-I172 HydrophobicContact CD2-CD1 4.32Å; P154-I172 HydrophobicContact CB-CD1 3.83Å; P154-I172 HydrophobicContact CB-CG1 4.24Å; P154-I172 HydrophobicContact CG-CD1 4.38Å; V155-I172 PolarHBondContact O-N 3Å; I156-I172 WeakPolarHBondContact CA-O 3.3Å; I156-I172 HydrophobicContact CG1-CB 3.99Å; I156-I172 HydrophobicContact CG1-CD1 4.34Å; I156-I172 HydrophobicContact CG1-CG2 4.26Å; S157-I172 PolarHBondContact N-O 3.41Å; I172-F174 PolarHBondContact O-N 3.28Å; I172-I177 HydrophobicContact CG2-CD1 4.32Å; I172-I177 HydrophobicContact CG2-CG1 3.99Å; I172-C190 HydrophobicContact CG2-CB 4.13Å; I172-I192 HydrophobicContact CD1-CD1 4.3Å; I172-I192 HydrophobicContact CG1-CB 4.22Å; I172-I192 HydrophobicContact CG1-CD1 3.95Å; I172-I192 HydrophobicContact CG1-CG1 3.79Å
173P94.6Very high88.4Confident6 Ų641.1 Ų41.14%0.03923%0.231CC..EExtended strand (participates in β ladder)trans-57.4127.8169.3-20.830.8000109.7L17 S157 Y171 N175 S176L17-P173 HydrophobicContact CD1-CG 3.97Å; S157-P173 CarbonylContact O-C 3.58Å; S157-P173 WeakPolarHBondContact O-CA 3.19Å; Y171-P173 HydrophobicContact CD1-CG 4.08Å; Y171-P173 HydrophobicContact CE1-CB 4.19Å; Y171-P173 HydrophobicContact CE1-CG 3.63Å; P173-N175 WeakPolarHBondContact CB-OD1 3.23Å; P173-N175 PolarHBondContact O-N 2.94Å; P173-N175 VanDerWaalsContact O-N 3.14Å; P173-S176 WeakPolarHBondContact O-CB 3.44Å; P173-S176 PolarHBondContact O-N 3.24Å; P173-S176 PolarHBondContact O-OG 3.1Å
174F93Very high86.9Confident4 Ų446.5 Ų46.52%0.01827%0.266CS..G310 helixtrans-57.3-36.1-175.4-179.9-86.3000112.8L34 R37 I38 F62 I156 S157 M158 I172 S176 I177L34-F174 HydrophobicContact CD1-CD2 3.61Å; L34-F174 HydrophobicContact CD1-CE2 3.08Å; L34-F174 HydrophobicContact CD1-CZ 3.8Å; R37-F174 HydrophobicContact CB-CD1 3.46Å; R37-F174 VanDerWaalsContact CB-CD1 3.46Å; R37-F174 HydrophobicContact CB-CE1 3.48Å; R37-F174 VanDerWaalsContact CB-CE1 3.48Å; R37-F174 HydrophobicContact CB-CG 4.09Å; R37-F174 HydrophobicContact CB-CZ 4.13Å; R37-F174 HydrophobicContact CG-CD1 4.01Å; R37-F174 HydrophobicContact CG-CG 4.42Å; I38-F174 HydrophobicContact CG1-CZ 4.3Å; F62-F174 HydrophobicContact CD2-CE2 4.28Å; F62-F174 HydrophobicContact CD2-CZ 4.49Å; F62-F174 AromaticContact CE2-CE2 3.67Å; F62-F174 HydrophobicContact CE2-CE2 3.67Å; F62-F174 HydrophobicContact CE2-CZ 4.29Å; F62-F174 AromaticContact CZ-CE2 3.96Å; F62-F174 HydrophobicContact CZ-CE2 3.96Å; I156-F174 HydrophobicContact CG2-CB 4.24Å; I156-F174 HydrophobicContact CG2-CD2 3.96Å; S157-F174 PolarHBondContact O-N 3.01Å; M158-F174 HydrophobicContact CG-CB 3.89Å; M158-F174 HydrophobicContact SD-CB 3.83Å; I172-F174 PolarHBondContact O-N 3.28Å; F174-S176 PolarHBondContact O-N 2.83Å; F174-I177 HydrophobicContact CD2-CD1 4.01Å; F174-I177 HydrophobicContact CE2-CD1 4.33Å; F174-I177 WeakPolarHBondContact O-CB 3.45Å; F174-I177 PolarHBondContact O-N 3.06Å; F174-I177 VanDerWaalsContact O-N 3.13Å
175N89.9Confident86Confident89 Ų8949 Ų4948%0.47628%0.279SS..G310 helixtrans-68.6-12.1178.365.4-29.3000114.3M158 P173 I177M158-N175 HydrophobicContact CE-CB 4.24Å; M158-N175 HydrophobicContact SD-CB 3.97Å; P173-N175 WeakPolarHBondContact CB-OD1 3.23Å; P173-N175 PolarHBondContact O-N 2.94Å; P173-N175 VanDerWaalsContact O-N 3.14Å; N175-I177 VanDerWaalsContact C-N 3.32Å
176S92.4Very high85.7Confident23 Ų2353.3 Ų53.316%0.16130%0.303CS..G310 helixtrans-80.2-16.5172.381.10000112.4P173 F174 D178 C190 S191P173-S176 WeakPolarHBondContact O-CB 3.44Å; P173-S176 PolarHBondContact O-N 3.24Å; P173-S176 PolarHBondContact O-OG 3.1Å; F174-S176 PolarHBondContact O-N 2.83Å; S176-D178 PolarHBondContact O-N 3.35Å; S176-C190 VanDerWaalsContact O-CA 3.26Å; S176-C190 WeakPolarHBondContact O-CA 3.38Å; S176-S191 PolarHBondContact OG-N 3.01Å; S176-S191 PolarHBondContact OG-O 3.24Å
177I92.9Very high85.7Confident13 Ų1350.8 Ų50.87%0.06729%0.287CS..SBendtrans-69.6122.1-178.8-62.3175.8000110.1F62 I156 I172 F174 N175 L179 I188 C190F62-I177 HydrophobicContact CE2-CD1 4.5Å; I156-I177 HydrophobicContact CD1-CD1 4.2Å; I156-I177 HydrophobicContact CG2-CD1 3.95Å; I172-I177 HydrophobicContact CG2-CD1 4.32Å; I172-I177 HydrophobicContact CG2-CG1 3.99Å; F174-I177 HydrophobicContact CD2-CD1 4.01Å; F174-I177 HydrophobicContact CE2-CD1 4.33Å; F174-I177 WeakPolarHBondContact O-CB 3.45Å; F174-I177 PolarHBondContact O-N 3.06Å; F174-I177 VanDerWaalsContact O-N 3.13Å; N175-I177 VanDerWaalsContact C-N 3.32Å; I177-L179 HydrophobicContact CG2-CD2 3.96Å; I177-L179 PolarHBondContact O-N 3.36Å; I177-I188 HydrophobicContact CG2-CG2 3.68Å; I177-C190 HydrophobicContact CB-CB 4.43Å; I177-C190 HydrophobicContact CG1-CB 3.98Å
178D89.9Confident85.6Confident51 Ų5150.9 Ų50.927%0.27329%0.287SS..  trans-72.3111.1174.8-168.5-9.8000111S176 S180 N189S176-D178 PolarHBondContact O-N 3.35Å; D178-S180 WeakPolarHBondContact OD1-CA 3.4Å; D178-S180 VanDerWaalsContact OD1-CB 3.22Å; D178-S180 WeakPolarHBondContact OD1-CB 3.24Å; D178-S180 PolarHBondContact OD1-N 2.92Å; D178-S180 PolarHBondContact OD1-OG 2.94Å; D178-S180 PolarHBondContact OD2-OG 3.47Å; D178-N189 HydrophobicContact CB-CB 4.22Å; D178-N189 WeakPolarHBondContact CB-O 3.23Å; D178-N189 PolarHBondContact N-O 2.85Å
179L87.5Confident85.6Confident34 Ų3448.7 Ų48.718%0.17828%0.276CS..  trans-96.9-2.6175.9-58.8177.3000113Y42 F62 R65 I177Y42-L179 HydrophobicContact CD2-CD1 4.23Å; Y42-L179 HydrophobicContact CE2-CD1 3.83Å; Y42-L179 HydrophobicContact CE2-CD2 4.22Å; F62-L179 HydrophobicContact CD2-CD2 4.25Å; R65-L179 PolarHBondContact NH2-O 3.21Å; I177-L179 HydrophobicContact CG2-CD2 3.96Å; I177-L179 PolarHBondContact O-N 3.36Å
180S80.9Confident85.5Confident87 Ų8744.3 Ų44.361%0.60826%0.257SS*.  trans-82.6-25.9-178.677.80000113.1D178 M182D178-S180 WeakPolarHBondContact OD1-CA 3.4Å; D178-S180 VanDerWaalsContact OD1-CB 3.22Å; D178-S180 WeakPolarHBondContact OD1-CB 3.24Å; D178-S180 PolarHBondContact OD1-N 2.92Å; D178-S180 PolarHBondContact OD1-OG 2.94Å; D178-S180 PolarHBondContact OD2-OG 3.47Å; S180-M182 PolarHBondContact O-N 3.46Å
181D64.6Low85.5Confident37 Ų3745.3 Ų45.320%0.19826%0.264CS..  trans-56.4109.8-176.8-88.6-22.9000111.4R65 N185 N189R65-D181 VanDerWaalsContact CZ-O 3.24Å; R65-D181 PolarHBondContact NH1-O 3.37Å; R65-D181 PolarHBondContact NH2-O 3.01Å; D181-N185 PolarHBondContact OD2-ND2 3.22Å; D181-N189 PolarHBondContact OD2-ND2 3.37Å
182M61.7Low85.4Confident174 Ų17446 Ų4686%0.85727%0.268SS*.  trans-93.8-15.2173-67.2-69.2-79.900111.7S180S180-M182 PolarHBondContact O-N 3.46Å
183A59.4Low85.4Confident52 Ų5246.4 Ų46.443%0.4327%0.27SS..SBendtrans-68.9146.6-179.600000110.7N185A183-N185 PolarHBondContact O-N 3.39Å
184P62.1Low85.4Confident117 Ų11747.7 Ų47.776%0.7628%0.276SS*.  trans-69.675.3168.330.1-32.1000109.3
185N72.1Confident85.1Confident63 Ų6348.7 Ų48.734%0.33728%0.282SS..  trans-82.9137.1167.9-68.9-11.4000108.1D181 A183 A187D181-N185 PolarHBondContact OD2-ND2 3.22Å; A183-N185 PolarHBondContact O-N 3.39Å; N185-A187 WeakPolarHBondContact CB-O 3.25Å; N185-A187 PolarHBondContact O-N 3.28Å
186D88.3Confident85Confident95 Ų9547.9 Ų47.951%0.50828%0.278SS..SBendtrans-83.712.8171.964.38.1000112K23 A69K23-D186 WeakPolarHBondContact CD-O 3.33Å; K23-D186 VanDerWaalsContact CE-CG 3.41Å; K23-D186 VanDerWaalsContact CE-O 3.28Å; K23-D186 WeakPolarHBondContact CE-O 3.25Å; K23-D186 WeakPolarHBondContact CE-OD2 3.28Å; K23-D186 WeakPolarHBondContact CG-O 3.4Å; K23-D186 IonicContact NZ-OD1 3.56Å; K23-D186 PolarHBondContact NZ-OD1 3.05Å; K23-D186 IonicContact NZ-OD2 3.65Å; K23-D186 PolarHBondContact NZ-OD2 2.95Å; A69-D186 WeakPolarHBondContact CA-O 3.43Å
187A93.1Very high84.9Confident10 Ų1047 Ų478%0.08327%0.272CS..SBendtrans-141.3158.7176.200000110.3Q21 L22 K23 N185Q21-A187 HydrophobicContact CB-CB 4.1Å; L22-A187 WeakPolarHBondContact O-CA 3.38Å; K23-A187 HydrophobicContact CB-CB 4.01Å; K23-A187 HydrophobicContact CD-CB 4.17Å; N185-A187 WeakPolarHBondContact CB-O 3.25Å; N185-A187 PolarHBondContact O-N 3.28Å
188I93.9Very high84.5Confident11 Ų1146.5 Ų46.56%0.05627%0.269CS..EExtended strand (participates in β ladder)trans-108.3118.2171-61.6165.1000107.6L22 R65 L66 A69 I177 C190L22-I188 HydrophobicContact CB-CB 4.29Å; L22-I188 HydrophobicContact CD2-CD1 4.47Å; L22-I188 PolarHBondContact N-O 3.27Å; L22-I188 PolarHBondContact O-N 3.49Å; R65-I188 HydrophobicContact CB-CD1 4.2Å; R65-I188 HydrophobicContact CB-CG1 4.46Å; L66-I188 HydrophobicContact CD2-CD1 3.79Å; A69-I188 HydrophobicContact CB-CD1 4.02Å; A69-I188 HydrophobicContact CB-CG1 3.81Å; I177-I188 HydrophobicContact CG2-CG2 3.68Å; I188-C190 PolarHBondContact O-N 2.82Å
189N94.4Very high84.3Confident50 Ų5046.5 Ų46.527%0.26727%0.269SS..EExtended strand (participates in β ladder)trans-70.2129.7172.4-63.2-45.8000109.1Q21 D178 D181Q21-N189 PolarHBondContact NE2-OD1 3.46Å; D178-N189 HydrophobicContact CB-CB 4.22Å; D178-N189 WeakPolarHBondContact CB-O 3.23Å; D178-N189 PolarHBondContact N-O 2.85Å; D181-N189 PolarHBondContact OD2-ND2 3.37Å
190C94.7Very high84.2Confident8 Ų851.4 Ų51.45%0.05429%0.289CS..EExtended strand (participates in β ladder)trans-155.9-169.9173.764.80000110.3Y20 I172 S176 I177 I188Y20-C190 PolarHBondContact N-O 3.13Å; Y20-C190 PolarHBondContact O-N 2.86Å; I172-C190 HydrophobicContact CG2-CB 4.13Å; S176-C190 VanDerWaalsContact O-CA 3.26Å; S176-C190 WeakPolarHBondContact O-CA 3.38Å; I177-C190 HydrophobicContact CB-CB 4.43Å; I177-C190 HydrophobicContact CG1-CB 3.98Å; I188-C190 PolarHBondContact O-N 2.82Å
191S95.4Very high84.3Confident23 Ų2349.4 Ų49.416%0.16127%0.269CS..EExtended strand (participates in β ladder)trans-121.1146.6170-40.70000111.1N18 S176N18-S191 CarbonylContact O-C 3.58Å; N18-S191 WeakPolarHBondContact O-CA 3.38Å; N18-S191 WeakPolarHBondContact O-CB 3.48Å; S176-S191 PolarHBondContact OG-N 3.01Å; S176-S191 PolarHBondContact OG-O 3.24Å
192I96.4Very high85.4Confident20 Ų2048 Ų4810%0.10326%0.261CS..EExtended strand (participates in β ladder)trans-126.4131.2-177.5-158.8165.9000111.6N18 Y20 P154 K169 Y171 I172N18-I192 PolarHBondContact N-O 3.46Å; N18-I192 PolarHBondContact O-N 2.96Å; Y20-I192 HydrophobicContact CD1-CB 4.25Å; Y20-I192 HydrophobicContact CD1-CD1 4.08Å; Y20-I192 HydrophobicContact CD2-CB 4.38Å; Y20-I192 HydrophobicContact CD2-CD1 4.31Å; Y20-I192 HydrophobicContact CD2-CG2 3.8Å; Y20-I192 HydrophobicContact CE1-CD1 4.06Å; Y20-I192 HydrophobicContact CE2-CD1 4.3Å; Y20-I192 HydrophobicContact CG-CB 3.89Å; Y20-I192 HydrophobicContact CG-CD1 4.21Å; Y20-I192 HydrophobicContact CG-CG2 3.74Å; P154-I192 HydrophobicContact CB-CD1 4.3Å; P154-I192 HydrophobicContact CG-CD1 4.27Å; K169-I192 VanDerWaalsContact O-CD1 3.28Å; K169-I192 WeakPolarHBondContact O-CD1 3.31Å; Y171-I192 WeakPolarHBondContact O-CA 3.48Å; I172-I192 HydrophobicContact CD1-CD1 4.3Å; I172-I192 HydrophobicContact CG1-CB 4.22Å; I172-I192 HydrophobicContact CG1-CD1 3.95Å; I172-I192 HydrophobicContact CG1-CG1 3.79Å
193Y96.1Very high86.6Confident7 Ų744.5 Ų44.53%0.02725%0.251CS..EExtended strand (participates in β ladder)trans-93.4135.9169.7168.3-92.7000109.4V10 L16 L163 G170 Y171 W198V10-Y193 HydrophobicContact CG1-CD2 4.17Å; V10-Y193 HydrophobicContact CG2-CD2 4.46Å; V10-Y193 HydrophobicContact CG2-CE2 4.4Å; L16-Y193 VanDerWaalsContact O-CD2 3.32Å; L16-Y193 WeakPolarHBondContact O-CD2 3.38Å; L163-Y193 HydrophobicContact CB-CE1 4.06Å; L163-Y193 HydrophobicContact CD2-CD1 3.48Å; L163-Y193 VanDerWaalsContact CD2-CD1 3.48Å; L163-Y193 HydrophobicContact CD2-CD2 3.77Å; L163-Y193 HydrophobicContact CD2-CE1 3.83Å; L163-Y193 HydrophobicContact CD2-CE2 4.11Å; L163-Y193 HydrophobicContact CD2-CG 3.41Å; L163-Y193 VanDerWaalsContact CD2-CG 3.41Å; L163-Y193 WeakPolarHBondContact O-CE1 3.19Å; L163-Y193 VanDerWaalsContact O-CZ 3.32Å; L163-Y193 PolarHBondContact O-OH 2.96Å; G170-Y193 CarbonylContact C-O 3.57Å; G170-Y193 WeakPolarHBondContact CA-O 3.47Å; Y171-Y193 PolarHBondContact N-O 2.96Å; Y171-Y193 PolarHBondContact O-N 3.21Å; Y193-W198 AromaticContact CE2-CD1 3.82Å; Y193-W198 AromaticContact CE2-NE1 3.57Å; Y193-W198 AromaticContact CZ-CD1 3.82Å; Y193-W198 AromaticContact CZ-NE1 3.73Å; Y193-W198 PolarHBondContact OH-NE1 3.23Å
194N94Very high88.1Confident34 Ų3449 Ų4918%0.18226%0.257CS..  trans-129142.5165.3-170.4-61.3000108.3D196 N197N194-D196 PolarHBondContact O-N 2.95Å; N194-D196 VanDerWaalsContact O-N 3.15Å; N194-D196 WeakPolarHBondContact OD1-CB 3.44Å; N194-D196 VanDerWaalsContact OD1-CG 3.26Å; N194-D196 PolarHBondContact OD1-N 3.1Å; N194-D196 PolarHBondContact OD1-OD2 3.02Å; N194-N197 PolarHBondContact N-ND2 3.36Å; N194-N197 WeakPolarHBondContact O-CB 3.46Å; N194-N197 PolarHBondContact O-N 2.91Å; N194-N197 PolarHBondContact O-ND2 2.66Å
195V88.1Confident89.5Confident24 Ų2443.8 Ų43.815%0.14522%0.223CC..THydrogen-bonded Turntrans-53.8-33.2176.672.20000113N197 W198 R207 L210V195-N197 PolarHBondContact O-N 3.33Å; V195-N197 VanDerWaalsContact O-N 3.11Å; V195-W198 WeakPolarHBondContact O-CB 3.22Å; V195-W198 PolarHBondContact O-N 3.03Å; V195-R207 HydrophobicContact CG2-CB 4.18Å; V195-L210 HydrophobicContact CB-CD1 4.46Å; V195-L210 HydrophobicContact CG2-CD1 3.03Å
196D88Confident90.4Very high73 Ų7344.7 Ų44.739%0.3923%0.228SC..Hα-helixtrans-62.8-18.7177.9-63-21.8000112.4N194 W198 L199 K200N194-D196 PolarHBondContact O-N 2.95Å; N194-D196 VanDerWaalsContact O-N 3.15Å; N194-D196 WeakPolarHBondContact OD1-CB 3.44Å; N194-D196 VanDerWaalsContact OD1-CG 3.26Å; N194-D196 PolarHBondContact OD1-N 3.1Å; N194-D196 PolarHBondContact OD1-OD2 3.02Å; D196-W198 VanDerWaalsContact C-N 3.31Å; D196-L199 WeakPolarHBondContact O-CB 3.31Å; D196-L199 PolarHBondContact O-N 3.43Å; D196-K200 PolarHBondContact O-N 3.4Å
197N89.7Confident90.4Very high4 Ų447.3 Ų47.32%0.02123%0.231CC..Hα-helixtrans-65.2-35.8172.9-66.7-25.6000111.7G15 L16 N18 N194 V195 L199 K200 F201G15-N197 WeakPolarHBondContact O-CB 3.49Å; L16-N197 HydrophobicContact CD2-CB 4.2Å; L16-N197 PolarHBondContact O-ND2 3.38Å; N18-N197 PolarHBondContact ND2-ND2 2.8Å; N18-N197 PolarHBondContact ND2-OD1 3.14Å; N194-N197 PolarHBondContact N-ND2 3.36Å; N194-N197 WeakPolarHBondContact O-CB 3.46Å; N194-N197 PolarHBondContact O-N 2.91Å; N194-N197 PolarHBondContact O-ND2 2.66Å; V195-N197 PolarHBondContact O-N 3.33Å; V195-N197 VanDerWaalsContact O-N 3.11Å; N197-L199 VanDerWaalsContact C-N 3.28Å; N197-L199 PolarHBondContact O-N 3.18Å; N197-K200 WeakPolarHBondContact O-CB 3.25Å; N197-K200 PolarHBondContact O-N 3.37Å; N197-K200 PolarHBondContact OD1-NZ 3.44Å; N197-F201 WeakPolarHBondContact O-CD2 3.29Å
198W84.7Confident90.3Very high3 Ų349.6 Ų49.61%0.01125%0.25CC..Hα-helixtrans-63.1-37.1172.7-77.3110.7000111.9L6 L9 V10 L16 Y193 V195 D196 K200 F201 L202 L205 I244 L258L6-W198 HydrophobicContact CD1-CZ2 4.33Å; L9-W198 HydrophobicContact CD2-CH2 3.85Å; L9-W198 HydrophobicContact CD2-CZ2 4.36Å; L9-W198 HydrophobicContact CG-CH2 4.32Å; V10-W198 HydrophobicContact CG2-CZ2 4.44Å; L16-W198 HydrophobicContact CD1-CD2 4.37Å; L16-W198 HydrophobicContact CD1-CE3 4.27Å; L16-W198 HydrophobicContact CD1-CH2 3.42Å; L16-W198 VanDerWaalsContact CD1-CH2 3.42Å; L16-W198 HydrophobicContact CD1-CZ2 3.53Å; L16-W198 HydrophobicContact CD1-CZ3 3.82Å; L16-W198 HydrophobicContact CD2-CD2 3.59Å; L16-W198 HydrophobicContact CD2-CE3 3.76Å; L16-W198 HydrophobicContact CD2-CG 3.99Å; L16-W198 HydrophobicContact CD2-CH2 4.37Å; L16-W198 HydrophobicContact CD2-CZ2 4.23Å; L16-W198 HydrophobicContact CD2-CZ3 4.15Å; Y193-W198 AromaticContact CE2-CD1 3.82Å; Y193-W198 AromaticContact CE2-NE1 3.57Å; Y193-W198 AromaticContact CZ-CD1 3.82Å; Y193-W198 AromaticContact CZ-NE1 3.73Å; Y193-W198 PolarHBondContact OH-NE1 3.23Å; V195-W198 WeakPolarHBondContact O-CB 3.22Å; V195-W198 PolarHBondContact O-N 3.03Å; D196-W198 VanDerWaalsContact C-N 3.31Å; W198-K200 PolarHBondContact O-N 3.18Å; W198-F201 PolarHBondContact O-N 3.17Å; W198-L202 HydrophobicContact CE3-CD1 4.44Å; W198-L202 PolarHBondContact O-N 3.38Å; W198-L205 HydrophobicContact CB-CD2 4.49Å; W198-I244 HydrophobicContact CZ3-CD1 4.31Å; W198-L258 HydrophobicContact CD2-CD1 4.35Å; W198-L258 HydrophobicContact CE3-CD1 3.88Å; W198-L258 HydrophobicContact CH2-CD1 3.67Å; W198-L258 HydrophobicContact CZ2-CD1 4.14Å; W198-L258 HydrophobicContact CZ3-CD1 3.52Å
199L84.4Confident90.2Very high50 Ų5049 Ų4926%0.26225%0.247SC..Hα-helixtrans-66.8-20179.7-54.9-177000112.5D196 N197 P203 L205D196-L199 WeakPolarHBondContact O-CB 3.31Å; D196-L199 PolarHBondContact O-N 3.43Å; N197-L199 VanDerWaalsContact C-N 3.28Å; N197-L199 PolarHBondContact O-N 3.18Å; L199-P203 WeakPolarHBondContact O-CA 3.38Å; L199-L205 HydrophobicContact CD2-CB 4.23Å; L199-L205 WeakPolarHBondContact CD2-O 3.28Å
200K86.2Confident90.1Very high138 Ų13846.9 Ų46.960%0.624%0.235SC*.Hα-helixtrans-69.8-38.6170.6-62.6171.5-175.7161.10111.7D196 N197 W198D196-K200 PolarHBondContact O-N 3.4Å; N197-K200 WeakPolarHBondContact O-CB 3.25Å; N197-K200 PolarHBondContact O-N 3.37Å; N197-K200 PolarHBondContact OD1-NZ 3.44Å; W198-K200 PolarHBondContact O-N 3.18Å
201F83.8Confident90Very high45 Ų4547.7 Ų47.720%0.19724%0.24CC..Hα-helixtrans-84.8-33.8179.2-64.6-77.6000113L16 N197 W198 P203 E243 I244L16-F201 HydrophobicContact CD2-CD2 3.6Å; L16-F201 HydrophobicContact CD2-CE2 3.57Å; L16-F201 HydrophobicContact CG-CD2 4.2Å; L16-F201 HydrophobicContact CG-CE2 3.76Å; N197-F201 WeakPolarHBondContact O-CD2 3.29Å; W198-F201 PolarHBondContact O-N 3.17Å; F201-P203 VanDerWaalsContact C-CD 3.47Å; F201-E243 HydrophobicContact CD1-CB 4.34Å; F201-E243 HydrophobicContact CE1-CB 4.18Å; F201-I244 HydrophobicContact CB-CD1 4.18Å; F201-I244 HydrophobicContact CD1-CD1 4.37Å; F201-I244 HydrophobicContact CD1-CG1 4.1Å; F201-I244 HydrophobicContact CE1-CG1 4.46Å; F201-I244 HydrophobicContact CG-CD1 4.31Å; F201-I244 HydrophobicContact CG-CG1 4.49Å
202L87.7Confident89.8Confident7 Ų746.7 Ų46.74%0.03723%0.233CC..  trans-129.171.2-176.7-61.4173.9000109.7W198 R204 L205 L258 E259W198-L202 HydrophobicContact CE3-CD1 4.44Å; W198-L202 PolarHBondContact O-N 3.38Å; L202-R204 PolarHBondContact O-N 3.01Å; L202-L205 HydrophobicContact CB-CB 3.97Å; L202-L205 HydrophobicContact CB-CD2 4.45Å; L202-L205 HydrophobicContact CD1-CD2 4.31Å; L202-L205 VanDerWaalsContact O-CB 3.24Å; L202-L205 WeakPolarHBondContact O-CB 3.47Å; L202-L205 PolarHBondContact O-N 3.33Å; L202-L258 HydrophobicContact CD1-CB 3.46Å; L202-L258 VanDerWaalsContact CD1-CB 3.46Å; L202-L258 HydrophobicContact CD1-CD1 4.43Å; L202-L258 HydrophobicContact CD1-CG 4.46Å; L202-E259 HydrophobicContact CD2-CG 3.94Å
203P87Confident89.5Confident100 Ų10045.8 Ų45.865%0.64923%0.229SC*.THydrogen-bonded Turntrans-63.8-12.7-172.818.7-29.1000115.4L199 F201L199-P203 WeakPolarHBondContact O-CA 3.38Å; F201-P203 VanDerWaalsContact C-CD 3.47Å
204R91.1Very high89.3Confident146 Ų14645.5 Ų45.555%0.55123%0.227SC*.THydrogen-bonded Turntrans-100.27.5175.8-56.2-165.8-53.8-91.6-5.2113.7L202 Q262 D263L202-R204 PolarHBondContact O-N 3.01Å; R204-Q262 HydrophobicContact CB-CB 4.03Å; R204-Q262 HydrophobicContact CB-CG 4.19Å; R204-Q262 WeakPolarHBondContact O-CA 3.24Å; R204-D263 WeakPolarHBondContact CB-OD1 3.06Å; R204-D263 VanDerWaalsContact CD-OD1 3.22Å; R204-D263 WeakPolarHBondContact CD-OD1 3.48Å; R204-D263 IonicContact CZ-OD2 2.97Å; R204-D263 IonicContact NE-OD1 3.45Å; R204-D263 PolarHBondContact NE-OD1 3.33Å; R204-D263 IonicContact NE-OD2 3.17Å; R204-D263 PolarHBondContact NE-OD2 3.03Å; R204-D263 IonicContact NH2-OD2 3.76Å; R204-D263 PolarHBondContact O-N 2.83Å
205L90.9Very high89Confident9 Ų943.9 Ų43.95%0.04722%0.219CC..  trans-81.7130.3174.8-179.965.3000110.1W198 L199 L202 L210 L258 L261 Q262W198-L205 HydrophobicContact CB-CD2 4.49Å; L199-L205 HydrophobicContact CD2-CB 4.23Å; L199-L205 WeakPolarHBondContact CD2-O 3.28Å; L202-L205 HydrophobicContact CB-CB 3.97Å; L202-L205 HydrophobicContact CB-CD2 4.45Å; L202-L205 HydrophobicContact CD1-CD2 4.31Å; L202-L205 VanDerWaalsContact O-CB 3.24Å; L202-L205 WeakPolarHBondContact O-CB 3.47Å; L202-L205 PolarHBondContact O-N 3.33Å; L205-L210 HydrophobicContact CD2-CD2 4.18Å; L205-L258 HydrophobicContact CD2-CD2 4.02Å; L205-L261 HydrophobicContact CD1-CB 3.63Å; L205-Q262 HydrophobicContact CB-CG 4.5Å
206D90.8Very high88.9Confident81 Ų8142.8 Ų42.843%0.43321%0.212SC..  trans-83.6123.7166.3-173.9-8.6000109.9A208 L209D206-A208 PolarHBondContact O-N 3.43Å; D206-A208 VanDerWaalsContact O-N 3.13Å; D206-A208 WeakPolarHBondContact OD1-CB 3.43Å; D206-A208 PolarHBondContact OD1-N 2.63Å; D206-L209 HydrophobicContact CB-CD1 4.21Å; D206-L209 HydrophobicContact CB-CG 4.17Å; D206-L209 WeakPolarHBondContact O-CB 3.43Å; D206-L209 PolarHBondContact O-N 3.47Å
207R88.6Confident88.7Confident150 Ų15039.4 Ų39.457%0.56619%0.194SC*.G310 helixtrans-56.7-25.9175.168.2-179.4-177.1-179.32113.1V195 L209 L210V195-R207 HydrophobicContact CG2-CB 4.18Å; R207-L209 PolarHBondContact O-N 2.86Å; R207-L210 HydrophobicContact CB-CD1 4.41Å; R207-L210 PolarHBondContact O-N 3.19Å
208A89.8Confident88.3Confident58 Ų5839.5 Ų39.548%0.47920%0.196SC..G310 helixtrans-64.5-16.6176.700000113.2D206 P211D206-A208 PolarHBondContact O-N 3.43Å; D206-A208 VanDerWaalsContact O-N 3.13Å; D206-A208 WeakPolarHBondContact OD1-CB 3.43Å; D206-A208 PolarHBondContact OD1-N 2.63Å; A208-P211 WeakPolarHBondContact O-CD 3.36Å
209L92.9Very high88.1Confident0 Ų039.7 Ų39.70%020%0.197CC..G310 helixtrans-89.6-7.7178.4-56.9176.1000113.6D206 R207 I212 F213 L261 K264 A269D206-L209 HydrophobicContact CB-CD1 4.21Å; D206-L209 HydrophobicContact CB-CG 4.17Å; D206-L209 WeakPolarHBondContact O-CB 3.43Å; D206-L209 PolarHBondContact O-N 3.47Å; R207-L209 PolarHBondContact O-N 2.86Å; L209-I212 HydrophobicContact CD2-CD1 3.97Å; L209-I212 WeakPolarHBondContact O-CA 3.35Å; L209-I212 VanDerWaalsContact O-CB 3.25Å; L209-I212 WeakPolarHBondContact O-CB 3.36Å; L209-I212 PolarHBondContact O-N 3.06Å; L209-F213 PolarHBondContact O-N 3.45Å; L209-F213 VanDerWaalsContact O-N 3.09Å; L209-L261 HydrophobicContact CB-CD1 4.41Å; L209-L261 HydrophobicContact CB-CD2 4.37Å; L209-L261 HydrophobicContact CD1-CB 4.25Å; L209-L261 HydrophobicContact CD1-CD2 4.19Å; L209-K264 HydrophobicContact CD1-CB 4.35Å; L209-K264 WeakPolarHBondContact CD1-O 3.2Å; L209-A269 HydrophobicContact CD2-CB 4.11Å
210L91.5Very high87.5Confident4 Ų438.2 Ų38.22%0.02119%0.19CC..Hα-helixtrans-62.8-32.7-178.7-69.5171.6000114.7V164 V195 L205 R207 I212 F213 A214 L258V164-L210 HydrophobicContact CG1-CB 4.22Å; V195-L210 HydrophobicContact CB-CD1 4.46Å; V195-L210 HydrophobicContact CG2-CD1 3.03Å; L205-L210 HydrophobicContact CD2-CD2 4.18Å; R207-L210 HydrophobicContact CB-CD1 4.41Å; R207-L210 PolarHBondContact O-N 3.19Å; L210-I212 PolarHBondContact O-N 3.34Å; L210-F213 HydrophobicContact CD2-CB 4.42Å; L210-F213 HydrophobicContact CD2-CD1 4.44Å; L210-F213 WeakPolarHBondContact O-CA 3.46Å; L210-F213 VanDerWaalsContact O-CB 3.27Å; L210-F213 WeakPolarHBondContact O-CB 3.46Å; L210-F213 PolarHBondContact O-N 2.98Å; L210-F213 VanDerWaalsContact O-N 3.11Å; L210-A214 PolarHBondContact O-N 2.87Å; L210-L258 HydrophobicContact CD2-CD2 3.93Å
211P92.3Very high87.1Confident25 Ų2535.6 Ų35.616%0.16218%0.179CC..Hα-helixtrans-58.2-34.6168.2-30.339.7000113.4V164 A208 A214 I215 L293 Y296V164-P211 HydrophobicContact CG1-CG 4.27Å; A208-P211 WeakPolarHBondContact O-CD 3.36Å; P211-A214 PolarHBondContact O-N 3.26Å; P211-I215 WeakPolarHBondContact O-CG1 3.39Å; P211-I215 PolarHBondContact O-N 3.21Å; P211-L293 HydrophobicContact CB-CD2 3.49Å; P211-L293 VanDerWaalsContact CB-CD2 3.49Å; P211-Y296 HydrophobicContact CB-CD2 3.92Å; P211-Y296 HydrophobicContact CB-CG 4.23Å; P211-Y296 HydrophobicContact CG-CG 4.42Å
212I92.2Very high86.9Confident2 Ų234.5 Ų34.51%0.0117%0.174CC..Hα-helixtrans-67.4-43.8173.3-59.1179000109.6L209 L210 A214 I215 V216 F257 Y266 A269 L273 L293L209-I212 HydrophobicContact CD2-CD1 3.97Å; L209-I212 WeakPolarHBondContact O-CA 3.35Å; L209-I212 VanDerWaalsContact O-CB 3.25Å; L209-I212 WeakPolarHBondContact O-CB 3.36Å; L209-I212 PolarHBondContact O-N 3.06Å; L210-I212 PolarHBondContact O-N 3.34Å; I212-A214 VanDerWaalsContact C-N 3.34Å; I212-A214 PolarHBondContact O-N 2.78Å; I212-I215 PolarHBondContact O-N 2.99Å; I212-V216 HydrophobicContact CG2-CG2 4.17Å; I212-V216 VanDerWaalsContact O-CG2 3.31Å; I212-V216 WeakPolarHBondContact O-CG2 3.33Å; I212-V216 PolarHBondContact O-N 2.98Å; I212-F257 HydrophobicContact CG2-CE1 4.44Å; I212-F257 HydrophobicContact CG2-CZ 4Å; I212-Y266 HydrophobicContact CD1-CD2 3.99Å; I212-Y266 HydrophobicContact CD1-CE2 4.09Å; I212-A269 HydrophobicContact CD1-CB 3.88Å; I212-L273 HydrophobicContact CG2-CD1 3.46Å; I212-L273 VanDerWaalsContact CG2-CD1 3.46Å; I212-L293 HydrophobicContact CB-CD2 4.44Å; I212-L293 HydrophobicContact CG1-CD1 4.25Å; I212-L293 HydrophobicContact CG1-CD2 3.74Å
213F90.6Very high86.4Confident2 Ų237.1 Ų37.11%0.00919%0.19CC..Hα-helixtrans-52.4-48171.9168.9-99.1000112.8L6 L209 L210 I215 V216 T217 M254 F257 L258 L261L6-F213 HydrophobicContact CD1-CE1 3.77Å; L6-F213 HydrophobicContact CD1-CZ 3.93Å; L6-F213 HydrophobicContact CD2-CE1 4.12Å; L209-F213 PolarHBondContact O-N 3.45Å; L209-F213 VanDerWaalsContact O-N 3.09Å; L210-F213 HydrophobicContact CD2-CB 4.42Å; L210-F213 HydrophobicContact CD2-CD1 4.44Å; L210-F213 WeakPolarHBondContact O-CA 3.46Å; L210-F213 VanDerWaalsContact O-CB 3.27Å; L210-F213 WeakPolarHBondContact O-CB 3.46Å; L210-F213 PolarHBondContact O-N 2.98Å; L210-F213 VanDerWaalsContact O-N 3.11Å; F213-I215 PolarHBondContact O-N 3.44Å; F213-V216 PolarHBondContact O-N 3.31Å; F213-T217 HydrophobicContact CD2-CG2 3.74Å; F213-T217 HydrophobicContact CE2-CG2 3.45Å; F213-T217 VanDerWaalsContact CE2-CG2 3.45Å; F213-T217 HydrophobicContact CG-CG2 4.41Å; F213-T217 HydrophobicContact CZ-CG2 3.89Å; F213-T217 WeakPolarHBondContact O-CB 3.24Å; F213-T217 VanDerWaalsContact O-CG2 3.25Å; F213-T217 WeakPolarHBondContact O-CG2 3.3Å; F213-T217 PolarHBondContact O-N 3.05Å; F213-T217 VanDerWaalsContact O-N 3.08Å; F213-T217 PolarHBondContact O-OG1 3.46Å; F213-M254 HydrophobicContact CE2-CB 3.86Å; F213-M254 HydrophobicContact CE2-CG 4.2Å; F213-M254 HydrophobicContact CZ-CB 4.09Å; F213-M254 HydrophobicContact CZ-CG 4.2Å; F213-M254 HydrophobicContact CZ-SD 4.43Å; F213-F257 HydrophobicContact CB-CE1 4.38Å; F213-F257 AromaticContact CD2-CD1 3.93Å; F213-F257 HydrophobicContact CD2-CD1 3.93Å; F213-L258 HydrophobicContact CB-CD2 4.12Å; F213-L258 HydrophobicContact CD1-CD2 4.3Å; F213-L258 HydrophobicContact CD2-CD1 4.24Å; F213-L258 HydrophobicContact CD2-CD2 3.42Å; F213-L258 VanDerWaalsContact CD2-CD2 3.42Å; F213-L258 HydrophobicContact CD2-CG 3.56Å; F213-L258 HydrophobicContact CE2-CD1 3.74Å; F213-L258 HydrophobicContact CE2-CD2 3.82Å; F213-L258 HydrophobicContact CE2-CG 3.52Å; F213-L258 HydrophobicContact CG-CD2 3.68Å; F213-L258 HydrophobicContact CG-CG 4.31Å; F213-L258 HydrophobicContact CZ-CD1 4.04Å; F213-L258 HydrophobicContact CZ-CD2 4.42Å; F213-L258 HydrophobicContact CZ-CG 4.26Å; F213-L261 HydrophobicContact CB-CD1 4.13Å
214A90.3Very high85.6Confident0 Ų033.5 Ų33.50%017%0.167CC..Hα-helixtrans-58.4-46178.900000113.3I3 V164 L210 P211 I212 T217 G218 Y296I3-A214 HydrophobicContact CD1-CB 3.48Å; I3-A214 VanDerWaalsContact CD1-CB 3.48Å; I3-A214 HydrophobicContact CG1-CB 4.01Å; V164-A214 HydrophobicContact CB-CB 4.42Å; V164-A214 HydrophobicContact CG1-CB 4Å; V164-A214 HydrophobicContact CG2-CB 4.07Å; L210-A214 PolarHBondContact O-N 2.87Å; P211-A214 PolarHBondContact O-N 3.26Å; I212-A214 VanDerWaalsContact C-N 3.34Å; I212-A214 PolarHBondContact O-N 2.78Å; A214-T217 PolarHBondContact O-OG1 2.84Å; A214-G218 PolarHBondContact O-N 3.41Å; A214-Y296 HydrophobicContact CB-CE1 4.48Å; A214-Y296 HydrophobicContact CB-CE2 3.74Å; A214-Y296 WeakPolarHBondContact CB-OH 3.5Å
215I88.5Confident85Confident1 Ų128.8 Ų28.81%0.00516%0.156CC..Hα-helixtrans-66.7-46.6-177.5-74164.4000111.3P211 I212 F213 G218 F222 F227 A292 L293P211-I215 WeakPolarHBondContact O-CG1 3.39Å; P211-I215 PolarHBondContact O-N 3.21Å; I212-I215 PolarHBondContact O-N 2.99Å; F213-I215 PolarHBondContact O-N 3.44Å; I215-G218 PolarHBondContact O-N 3.3Å; I215-F222 HydrophobicContact CB-CD2 4.44Å; I215-F222 HydrophobicContact CG2-CB 4.36Å; I215-F222 HydrophobicContact CG2-CD2 3.34Å; I215-F222 HydrophobicContact CG2-CE2 3.68Å; I215-F222 HydrophobicContact CG2-CG 3.94Å; I215-F227 HydrophobicContact CG2-CE2 3.85Å; I215-F227 HydrophobicContact CG2-CZ 3.82Å; I215-A292 HydrophobicContact CD1-CB 3.56Å; I215-A292 HydrophobicContact CG1-CB 3.93Å; I215-L293 HydrophobicContact CD1-CB 4.23Å; I215-L293 HydrophobicContact CD1-CD2 3.4Å; I215-L293 HydrophobicContact CD1-CG 3.44Å; I215-L293 VanDerWaalsContact CD1-CG 3.44Å
216V86.3Confident84.4Confident0 Ų030.5 Ų30.50%017%0.172CC..Hα-helixtrans-70.5-35.6-174.9174.20000111.9I212 F213 G218 F227 F230 F231 F257 L273I212-V216 HydrophobicContact CG2-CG2 4.17Å; I212-V216 VanDerWaalsContact O-CG2 3.31Å; I212-V216 WeakPolarHBondContact O-CG2 3.33Å; I212-V216 PolarHBondContact O-N 2.98Å; F213-V216 PolarHBondContact O-N 3.31Å; V216-G218 PolarHBondContact O-N 3.48Å; V216-F227 HydrophobicContact CB-CD2 4.34Å; V216-F227 HydrophobicContact CB-CG 4.36Å; V216-F227 HydrophobicContact CG1-CB 3.96Å; V216-F227 HydrophobicContact CG1-CD1 4.43Å; V216-F227 HydrophobicContact CG1-CD2 4.4Å; V216-F227 HydrophobicContact CG1-CG 4.03Å; V216-F227 HydrophobicContact CG2-CD1 4.15Å; V216-F227 HydrophobicContact CG2-CD2 4.44Å; V216-F227 HydrophobicContact CG2-CE1 4.1Å; V216-F227 HydrophobicContact CG2-CE2 4.39Å; V216-F227 HydrophobicContact CG2-CG 4.32Å; V216-F227 HydrophobicContact CG2-CZ 4.23Å; V216-F230 HydrophobicContact CG1-CD1 4Å; V216-F230 HydrophobicContact CG1-CE1 4.18Å; V216-F231 HydrophobicContact CG1-CE2 3.89Å; V216-F231 HydrophobicContact CG1-CZ 3.7Å; V216-F257 HydrophobicContact CB-CD1 4.05Å; V216-F257 HydrophobicContact CB-CE1 3.45Å; V216-F257 VanDerWaalsContact CB-CE1 3.45Å; V216-F257 HydrophobicContact CB-CZ 4.01Å; V216-F257 HydrophobicContact CG1-CD1 3.92Å; V216-F257 HydrophobicContact CG1-CE1 3.66Å; V216-F257 HydrophobicContact CG1-CZ 4.04Å; V216-F257 HydrophobicContact CG2-CE1 3.7Å; V216-F257 HydrophobicContact CG2-CZ 3.79Å; V216-L273 HydrophobicContact CG1-CD2 4.42Å; V216-L273 HydrophobicContact CG2-CD1 3.63Å; V216-L273 HydrophobicContact CG2-CD2 3.55Å; V216-L273 HydrophobicContact CG2-CG 4.26Å
217T84Confident83.9Confident3 Ų326.7 Ų26.72%0.01815%0.151CC..Hα-helixtrans-73.2-15.1177.253.60000113.2I3 F213 A214 S224 K250 M254I3-T217 WeakPolarHBondContact CG2-OG1 2.98Å; F213-T217 HydrophobicContact CD2-CG2 3.74Å; F213-T217 HydrophobicContact CE2-CG2 3.45Å; F213-T217 VanDerWaalsContact CE2-CG2 3.45Å; F213-T217 HydrophobicContact CG-CG2 4.41Å; F213-T217 HydrophobicContact CZ-CG2 3.89Å; F213-T217 WeakPolarHBondContact O-CB 3.24Å; F213-T217 VanDerWaalsContact O-CG2 3.25Å; F213-T217 WeakPolarHBondContact O-CG2 3.3Å; F213-T217 PolarHBondContact O-N 3.05Å; F213-T217 VanDerWaalsContact O-N 3.08Å; F213-T217 PolarHBondContact O-OG1 3.46Å; A214-T217 PolarHBondContact O-OG1 2.84Å; T217-S224 PolarHBondContact O-OG 3.46Å; T217-K250 WeakPolarHBondContact O-CE 3.44Å; T217-K250 PolarHBondContact O-NZ 3.32Å; T217-M254 HydrophobicContact CG2-CB 4.39Å; T217-M254 HydrophobicContact CG2-CE 4.38Å; T217-M254 HydrophobicContact CG2-CG 3.68Å
218G80.7Confident83.5Confident6 Ų625 Ų256%0.06215%0.15CC..  trans100.9122.5176.600000111.6A214 I215 V216 F222A214-G218 PolarHBondContact O-N 3.41Å; I215-G218 PolarHBondContact O-N 3.3Å; V216-G218 PolarHBondContact O-N 3.48Å; G218-F222 CarbonylContact C-O 3.49Å; G218-F222 VanDerWaalsContact CA-O 3.23Å; G218-F222 WeakPolarHBondContact CA-O 3.11Å
219N80.5Confident82.9Confident7 Ų727.1 Ų27.14%0.03715%0.154CC..  trans-142.4-163.1179.370.1-1.4000109.9I3 F221 F222 Y296I3-N219 HydrophobicContact CG1-CB 4.4Å; N219-F221 PolarHBondContact O-N 2.86Å; N219-F221 VanDerWaalsContact O-N 3.11Å; N219-F221 WeakPolarHBondContact OD1-CB 3.37Å; N219-F221 PolarHBondContact OD1-N 3.04Å; N219-F222 PolarHBondContact N-O 2.93Å; N219-F222 PolarHBondContact O-N 3.08Å; N219-F222 PolarHBondContact OD1-N 2.83Å; N219-Y296 PolarHBondContact ND2-OH 2.88Å; N219-Y296 VanDerWaalsContact ND2-OH 3.12Å
220D72.2Confident82.3Confident19 Ų1927.5 Ų27.510%0.10216%0.155CC..SBendtrans-64-15.5-178.7-68.5-12.9000114.9M1 K87M1-D220 HydrophobicContact CE-CB 4.39Å; M1-D220 WeakPolarHBondContact CE-OD1 3.08Å; M1-D220 WeakPolarHBondContact CE-OD2 3.27Å; K87-D220 WeakPolarHBondContact CE-OD2 3.35Å; K87-D220 IonicContact NZ-OD2 3.92Å
221F76.9Confident81.5Confident83 Ų8328.8 Ų28.836%0.36416%0.161SC..SBendtrans-100.4-30.9-177.6-59.3-89.2000112.6N219 A292 F295N219-F221 PolarHBondContact O-N 2.86Å; N219-F221 VanDerWaalsContact O-N 3.11Å; N219-F221 WeakPolarHBondContact OD1-CB 3.37Å; N219-F221 PolarHBondContact OD1-N 3.04Å; F221-A292 HydrophobicContact CB-CB 3.56Å; F221-A292 HydrophobicContact CD1-CB 3.93Å; F221-A292 HydrophobicContact CD2-CB 4.09Å; F221-A292 HydrophobicContact CG-CB 3.59Å; F221-F295 HydrophobicContact CE2-CB 3.8Å; F221-F295 AromaticContact CE2-CD1 3.99Å; F221-F295 HydrophobicContact CE2-CD1 3.99Å; F221-F295 HydrophobicContact CE2-CD2 4.14Å; F221-F295 AromaticContact CE2-CG 3.72Å; F221-F295 HydrophobicContact CE2-CG 3.72Å; F221-F295 HydrophobicContact CZ-CB 3.72Å; F221-F295 HydrophobicContact CZ-CD1 4.49Å; F221-F295 AromaticContact CZ-CD2 3.85Å; F221-F295 HydrophobicContact CZ-CD2 3.85Å; F221-F295 AromaticContact CZ-CG 3.78Å; F221-F295 HydrophobicContact CZ-CG 3.78Å
222F79.4Confident80.6Confident21 Ų2134 Ų349%0.09219%0.187CC..SBendtrans-135.8132.8-176.6-72.2-90.1000111.4I215 G218 N219 A226 F227 F285 K288 I289 A292I215-F222 HydrophobicContact CB-CD2 4.44Å; I215-F222 HydrophobicContact CG2-CB 4.36Å; I215-F222 HydrophobicContact CG2-CD2 3.34Å; I215-F222 HydrophobicContact CG2-CE2 3.68Å; I215-F222 HydrophobicContact CG2-CG 3.94Å; G218-F222 CarbonylContact C-O 3.49Å; G218-F222 VanDerWaalsContact CA-O 3.23Å; G218-F222 WeakPolarHBondContact CA-O 3.11Å; N219-F222 PolarHBondContact N-O 2.93Å; N219-F222 PolarHBondContact O-N 3.08Å; N219-F222 PolarHBondContact OD1-N 2.83Å; F222-A226 HydrophobicContact CB-CB 4.34Å; F222-A226 HydrophobicContact CD1-CB 3.9Å; F222-F227 HydrophobicContact CB-CE2 3.85Å; F222-F227 AromaticContact CD1-CE2 3.7Å; F222-F227 HydrophobicContact CD1-CE2 3.7Å; F222-F227 AromaticContact CD1-CZ 3.98Å; F222-F227 HydrophobicContact CD1-CZ 3.98Å; F222-F227 HydrophobicContact CD2-CE2 4.49Å; F222-F227 HydrophobicContact CE1-CE2 4.35Å; F222-F227 HydrophobicContact CE1-CZ 4.16Å; F222-F227 AromaticContact CG-CE2 3.77Å; F222-F227 HydrophobicContact CG-CE2 3.77Å; F222-F227 HydrophobicContact CG-CZ 4.26Å; F222-F285 HydrophobicContact CE1-CD2 4.39Å; F222-F285 AromaticContact CE1-CE2 3.75Å; F222-F285 HydrophobicContact CE1-CE2 3.75Å; F222-F285 HydrophobicContact CZ-CE2 4.47Å; F222-K288 HydrophobicContact CZ-CB 3.84Å; F222-I289 HydrophobicContact CE2-CG1 4.39Å; F222-I289 HydrophobicContact CZ-CG1 3.87Å; F222-A292 HydrophobicContact CD2-CB 4.16Å; F222-A292 HydrophobicContact CE2-CB 3.74Å
223T77.3Confident79.7Confident62 Ų6241.1 Ų41.138%0.3822%0.22SC..  trans-69.9154.1168.957.20000110.2S225 A226T223-S225 WeakPolarHBondContact CB-OG 3.04Å; T223-S225 PolarHBondContact O-N 2.91Å; T223-S225 VanDerWaalsContact O-N 3.13Å; T223-S225 PolarHBondContact OG1-OG 3.02Å; T223-A226 VanDerWaalsContact O-CB 3.27Å; T223-A226 WeakPolarHBondContact O-CB 3.45Å; T223-A226 PolarHBondContact O-N 3.29Å
224S70.8Confident78.7Confident25 Ų2541.8 Ų41.818%0.17522%0.224CC..G310 helixtrans-57.8-27.9174.9-650000112.8T217 A226 K250T217-S224 PolarHBondContact O-OG 3.46Å; S224-A226 VanDerWaalsContact C-N 3.31Å; S224-A226 PolarHBondContact O-N 3.36Å; S224-K250 PolarHBondContact OG-NZ 3.48Å
225S78.2Confident77.3Confident46 Ų4646.1 Ų46.132%0.32225%0.25SC..G310 helixtrans-70.5-20.7176.447.40000114.6T223 F227 E228T223-S225 WeakPolarHBondContact CB-OG 3.04Å; T223-S225 PolarHBondContact O-N 2.91Å; T223-S225 VanDerWaalsContact O-N 3.13Å; T223-S225 PolarHBondContact OG1-OG 3.02Å; S225-F227 PolarHBondContact O-N 3.42Å; S225-F227 VanDerWaalsContact O-N 3.09Å; S225-E228 WeakPolarHBondContact CA-OE1 3.18Å; S225-E228 VanDerWaalsContact CB-OE1 3.3Å; S225-E228 WeakPolarHBondContact CB-OE1 3.31Å; S225-E228 PolarHBondContact O-N 3.37Å
226A78.2Confident76Confident45 Ų4553.4 Ų53.437%0.37228%0.282SS..G310 helixtrans-62.8-20.6-178.300000113.5F222 T223 S224F222-A226 HydrophobicContact CB-CB 4.34Å; F222-A226 HydrophobicContact CD1-CB 3.9Å; T223-A226 VanDerWaalsContact O-CB 3.27Å; T223-A226 WeakPolarHBondContact O-CB 3.45Å; T223-A226 PolarHBondContact O-N 3.29Å; S224-A226 VanDerWaalsContact C-N 3.31Å; S224-A226 PolarHBondContact O-N 3.36Å
227F81.4Confident74.5Confident1 Ų154.6 Ų54.60%0.00429%0.289CS..G310 helixtrans-122.418.5-178.7-60.5-85.3000113I215 V216 F222 S225 N229 F230 F231 L273 F285 I289I215-F227 HydrophobicContact CG2-CE2 3.85Å; I215-F227 HydrophobicContact CG2-CZ 3.82Å; V216-F227 HydrophobicContact CB-CD2 4.34Å; V216-F227 HydrophobicContact CB-CG 4.36Å; V216-F227 HydrophobicContact CG1-CB 3.96Å; V216-F227 HydrophobicContact CG1-CD1 4.43Å; V216-F227 HydrophobicContact CG1-CD2 4.4Å; V216-F227 HydrophobicContact CG1-CG 4.03Å; V216-F227 HydrophobicContact CG2-CD1 4.15Å; V216-F227 HydrophobicContact CG2-CD2 4.44Å; V216-F227 HydrophobicContact CG2-CE1 4.1Å; V216-F227 HydrophobicContact CG2-CE2 4.39Å; V216-F227 HydrophobicContact CG2-CG 4.32Å; V216-F227 HydrophobicContact CG2-CZ 4.23Å; F222-F227 HydrophobicContact CB-CE2 3.85Å; F222-F227 AromaticContact CD1-CE2 3.7Å; F222-F227 HydrophobicContact CD1-CE2 3.7Å; F222-F227 AromaticContact CD1-CZ 3.98Å; F222-F227 HydrophobicContact CD1-CZ 3.98Å; F222-F227 HydrophobicContact CD2-CE2 4.49Å; F222-F227 HydrophobicContact CE1-CE2 4.35Å; F222-F227 HydrophobicContact CE1-CZ 4.16Å; F222-F227 AromaticContact CG-CE2 3.77Å; F222-F227 HydrophobicContact CG-CE2 3.77Å; F222-F227 HydrophobicContact CG-CZ 4.26Å; S225-F227 PolarHBondContact O-N 3.42Å; S225-F227 VanDerWaalsContact O-N 3.09Å; F227-N229 VanDerWaalsContact C-N 3.35Å; F227-N229 PolarHBondContact O-N 3.24Å; F227-F230 HydrophobicContact CB-CB 4.25Å; F227-F230 WeakPolarHBondContact O-CA 3.34Å; F227-F230 VanDerWaalsContact O-CB 3.28Å; F227-F230 WeakPolarHBondContact O-CB 3.42Å; F227-F230 PolarHBondContact O-N 2.83Å; F227-F231 HydrophobicContact CB-CD2 4.44Å; F227-F231 HydrophobicContact CB-CE2 4.29Å; F227-F231 VanDerWaalsContact O-CD2 3.28Å; F227-F231 WeakPolarHBondContact O-CD2 3.44Å; F227-F231 PolarHBondContact O-N 3.35Å; F227-F231 VanDerWaalsContact O-N 3.1Å; F227-L273 HydrophobicContact CD1-CD2 4.13Å; F227-L273 HydrophobicContact CE1-CD1 4.5Å; F227-L273 HydrophobicContact CE1-CD2 4.27Å; F227-F285 HydrophobicContact CD1-CZ 4.13Å; F227-F285 HydrophobicContact CE1-CE1 4.03Å; F227-F285 HydrophobicContact CE1-CE2 4.42Å; F227-F285 AromaticContact CE1-CZ 3.45Å; F227-F285 HydrophobicContact CE1-CZ 3.45Å; F227-F285 VanDerWaalsContact CE1-CZ 3.45Å; F227-F285 HydrophobicContact CZ-CE2 4.43Å; F227-F285 AromaticContact CZ-CZ 3.87Å; F227-F285 HydrophobicContact CZ-CZ 3.87Å; F227-I289 HydrophobicContact CE1-CD1 4.31Å; F227-I289 HydrophobicContact CZ-CD1 4.45Å; F227-I289 HydrophobicContact CZ-CG1 4.41Å
228E79.3Confident72.9Confident115 Ų11562.6 Ų62.654%0.53733%0.327SS..Hα-helixtrans-55.3-48.6177.8-88.8168.6-160.500112.2S225 F230 F231 D232S225-E228 WeakPolarHBondContact CA-OE1 3.18Å; S225-E228 VanDerWaalsContact CB-OE1 3.3Å; S225-E228 WeakPolarHBondContact CB-OE1 3.31Å; S225-E228 PolarHBondContact O-N 3.37Å; E228-F230 PolarHBondContact O-N 2.91Å; E228-F230 VanDerWaalsContact O-N 3.12Å; E228-F231 PolarHBondContact O-N 3.36Å; E228-F231 VanDerWaalsContact O-N 3.08Å; E228-D232 PolarHBondContact O-N 3.35Å; E228-D232 VanDerWaalsContact O-N 3.12Å
229N76.8Confident71.3Confident103 Ų10366.6 Ų66.655%0.55135%0.349SS*.Hα-helixtrans-55.8-33175.6-68.8-19.2000112.1F227 H233 C276F227-N229 VanDerWaalsContact C-N 3.35Å; F227-N229 PolarHBondContact O-N 3.24Å; N229-H233 PolarHBondContact O-ND1 3.07Å; N229-C276 HydrophobicContact CB-CB 4.49Å
230F80.7Confident69.7Low7 Ų773.2 Ų73.23%0.03138%0.384CS..Hα-helixtrans-71.2-45.5178.2177-114.9000111.6V216 F227 E228 D232 H233 I234 F257 W260 L273 C276V216-F230 HydrophobicContact CG1-CD1 4Å; V216-F230 HydrophobicContact CG1-CE1 4.18Å; F227-F230 HydrophobicContact CB-CB 4.25Å; F227-F230 WeakPolarHBondContact O-CA 3.34Å; F227-F230 VanDerWaalsContact O-CB 3.28Å; F227-F230 WeakPolarHBondContact O-CB 3.42Å; F227-F230 PolarHBondContact O-N 2.83Å; E228-F230 PolarHBondContact O-N 2.91Å; E228-F230 VanDerWaalsContact O-N 3.12Å; F230-D232 PolarHBondContact O-N 2.85Å; F230-H233 PolarHBondContact O-N 3.41Å; F230-I234 HydrophobicContact CD1-CD1 3.56Å; F230-I234 HydrophobicContact CD1-CG1 4.35Å; F230-I234 HydrophobicContact CE1-CD1 3.05Å; F230-I234 HydrophobicContact CE1-CG1 3.93Å; F230-I234 HydrophobicContact CE2-CD1 4.14Å; F230-I234 HydrophobicContact CE2-CG1 4.12Å; F230-I234 HydrophobicContact CG-CD1 4.3Å; F230-I234 HydrophobicContact CZ-CD1 3.37Å; F230-I234 HydrophobicContact CZ-CG1 3.79Å; F230-I234 PolarHBondContact O-N 3.16Å; F230-F257 AromaticContact CE1-CD2 3.64Å; F230-F257 HydrophobicContact CE1-CD2 3.64Å; F230-F257 AromaticContact CE1-CE2 3.36Å; F230-F257 HydrophobicContact CE1-CE2 3.36Å; F230-F257 HydrophobicContact CE1-CZ 4.05Å; F230-F257 HydrophobicContact CZ-CD2 4.1Å; F230-F257 AromaticContact CZ-CE2 3.65Å; F230-F257 HydrophobicContact CZ-CE2 3.65Å; F230-W260 HydrophobicContact CE2-CH2 4.06Å; F230-W260 AromaticContact CE2-CZ2 3.88Å; F230-W260 HydrophobicContact CE2-CZ2 3.88Å; F230-W260 HydrophobicContact CZ-CD2 4.17Å; F230-W260 HydrophobicContact CZ-CE3 4.09Å; F230-W260 AromaticContact CZ-CH2 3.73Å; F230-W260 HydrophobicContact CZ-CH2 3.73Å; F230-W260 AromaticContact CZ-CZ2 3.81Å; F230-W260 HydrophobicContact CZ-CZ2 3.81Å; F230-W260 AromaticContact CZ-CZ3 3.88Å; F230-W260 HydrophobicContact CZ-CZ3 3.88Å; F230-L273 HydrophobicContact CD1-CD2 3.59Å; F230-L273 HydrophobicContact CD2-CD2 4.01Å; F230-L273 HydrophobicContact CE1-CD2 3.4Å; F230-L273 VanDerWaalsContact CE1-CD2 3.4Å; F230-L273 HydrophobicContact CE2-CD2 3.88Å; F230-L273 HydrophobicContact CG-CD2 3.87Å; F230-L273 HydrophobicContact CZ-CD2 3.58Å; F230-C276 WeakPolarHBondContact CA-SG 3.12Å; F230-C276 HydrophobicContact CB-CB 4.38Å; F230-C276 WeakPolarHBondContact CB-SG 3.3Å
231F75.9Confident68.7Low32 Ų3274.4 Ų74.414%0.1439%0.392CS..Hα-helixtrans-61.6-29177.3-75.4-68.5000113V216 F227 E228 H233 I234 N253 F257V216-F231 HydrophobicContact CG1-CE2 3.89Å; V216-F231 HydrophobicContact CG1-CZ 3.7Å; F227-F231 HydrophobicContact CB-CD2 4.44Å; F227-F231 HydrophobicContact CB-CE2 4.29Å; F227-F231 VanDerWaalsContact O-CD2 3.28Å; F227-F231 WeakPolarHBondContact O-CD2 3.44Å; F227-F231 PolarHBondContact O-N 3.35Å; F227-F231 VanDerWaalsContact O-N 3.1Å; E228-F231 PolarHBondContact O-N 3.36Å; E228-F231 VanDerWaalsContact O-N 3.08Å; F231-H233 PolarHBondContact O-N 2.9Å; F231-I234 HydrophobicContact CD1-CD1 4.19Å; F231-I234 PolarHBondContact O-N 3.14Å; F231-N253 HydrophobicContact CD1-CB 3.86Å; F231-N253 HydrophobicContact CE1-CB 3.76Å; F231-N253 HydrophobicContact CZ-CB 4.37Å; F231-F257 HydrophobicContact CE1-CB 4.01Å
232D73.3Confident67.5Low133 Ų13381.7 Ų81.771%0.71142%0.417SS*.Hα-helixtrans-65-26.2172.7-72.8-21.3000113.2E228 F230E228-D232 PolarHBondContact O-N 3.35Å; E228-D232 VanDerWaalsContact O-N 3.12Å; F230-D232 PolarHBondContact O-N 2.85Å
233H71.5Confident66.7Low153 Ų15387.5 Ų87.571%0.70844%0.444SS*.Hα-helixtrans-94.6-14.5-180-67.880.7000113.6N229 F230 F231N229-H233 PolarHBondContact O-ND1 3.07Å; F230-H233 PolarHBondContact O-N 3.41Å; F231-H233 PolarHBondContact O-N 2.9Å
234I69.6Low66.1Low16 Ų1685.1 Ų85.18%0.08243%0.429CS..SBendtrans-82128.7173.9-60.5166.2000108.9F230 F231 K236 F257 W260F230-I234 HydrophobicContact CD1-CD1 3.56Å; F230-I234 HydrophobicContact CD1-CG1 4.35Å; F230-I234 HydrophobicContact CE1-CD1 3.05Å; F230-I234 HydrophobicContact CE1-CG1 3.93Å; F230-I234 HydrophobicContact CE2-CD1 4.14Å; F230-I234 HydrophobicContact CE2-CG1 4.12Å; F230-I234 HydrophobicContact CG-CD1 4.3Å; F230-I234 HydrophobicContact CZ-CD1 3.37Å; F230-I234 HydrophobicContact CZ-CG1 3.79Å; F230-I234 PolarHBondContact O-N 3.16Å; F231-I234 HydrophobicContact CD1-CD1 4.19Å; F231-I234 PolarHBondContact O-N 3.14Å; I234-K236 PolarHBondContact O-N 3.01Å; I234-F257 HydrophobicContact CD1-CD2 3.8Å; I234-W260 HydrophobicContact CG1-CG 4.27Å; I234-W260 HydrophobicContact CG2-CB 3.89Å; I234-W260 HydrophobicContact CG2-CG 4.12Å
235T61.1Low65.7Low90 Ų9087.6 Ų87.655%0.55244%0.443SS*.PPolyproline II helixtrans-54.8116.1169.5-45.40000109.4Q238T235-Q238 HydrophobicContact CG2-CG 3.61Å
236K62Low65.1Low155 Ų15588.4 Ų88.467%0.67444%0.439SS*.PPolyproline II helixtrans-51.3139.9169.2-69-179.7-178.31750108.5I234 Q238I234-K236 PolarHBondContact O-N 3.01Å; K236-Q238 PolarHBondContact O-N 2.67Å
237P54.9Low64.5Low25 Ų2588.8 Ų88.816%0.16245%0.448CS..  trans-47.1115.4-167.715.2-30.4000111.1V239 R246 E259P237-V239 PolarHBondContact O-N 3.42Å; P237-R246 VanDerWaalsContact CG-NH1 3.29Å; P237-E259 WeakPolarHBondContact CA-OE2 3.46Å; P237-E259 VanDerWaalsContact CB-OE2 3.23Å; P237-E259 WeakPolarHBondContact CB-OE2 3.47Å
238Q50.1Low64.4Low171 Ų17192.1 Ų92.180%0.79947%0.469SS*.SBendtrans-70.6-20.7-175.7-70.4-143.6-14.200112.5T235 K236T235-Q238 HydrophobicContact CG2-CG 3.61Å; K236-Q238 PolarHBondContact O-N 2.67Å
239V47.7Very low64.4Low89 Ų8992.3 Ų92.354%0.53947%0.473SS..SBendtrans-110.2125.8-177.1-170.10000107.6P237 T241 R246P237-V239 PolarHBondContact O-N 3.42Å; V239-T241 HydrophobicContact CB-CG2 4.4Å; V239-T241 HydrophobicContact CG1-CG2 4.2Å; V239-T241 PolarHBondContact O-N 2.84Å; V239-R246 PolarHBondContact O-NH2 3.03Å
240L46.9Very low64.6Low147 Ų14789.5 Ų89.577%0.7746%0.455SS*.  trans-60.883.1149.8-95.2119.4000105.6R242L240-R242 PolarHBondContact O-N 2.93Å
241T49.8Very low64.8Low43 Ų4389.2 Ų89.226%0.26445%0.454SS..  trans-61.995.7158.338.50000103.8V239 E243 I244 R246V239-T241 HydrophobicContact CB-CG2 4.4Å; V239-T241 HydrophobicContact CG1-CG2 4.2Å; V239-T241 PolarHBondContact O-N 2.84Å; T241-E243 PolarHBondContact O-N 3.41Å; T241-I244 PolarHBondContact O-N 2.91Å; T241-R246 PolarHBondContact OG1-NH2 3.44Å
242R52.9Low65Low237 Ų23789.3 Ų89.389%0.89446%0.458SS*.THydrogen-bonded Turntrans-58.7-6.8-174.7-69.4-177.6175.7-179.6-1.4112.6L240L240-R242 PolarHBondContact O-N 2.93Å
243E61.8Low65.4Low142 Ų14285.1 Ų85.166%0.66444%0.436SS*.THydrogen-bonded Turntrans-94.5-20.7-172.2-60178.6171.500113.7F201 T241F201-E243 HydrophobicContact CD1-CB 4.34Å; F201-E243 HydrophobicContact CE1-CB 4.18Å; T241-E243 PolarHBondContact O-N 3.41Å
244I64.5Low66.1Low12 Ų1278 Ų786%0.06240%0.403CS..SBendtrans-110.4114.1178-57179.2000110.3L9 N13 W198 F201 T241 V255L9-I244 HydrophobicContact CD1-CG2 4.29Å; N13-I244 WeakPolarHBondContact OD1-CA 3.41Å; N13-I244 WeakPolarHBondContact OD1-CG2 3.28Å; W198-I244 HydrophobicContact CZ3-CD1 4.31Å; F201-I244 HydrophobicContact CB-CD1 4.18Å; F201-I244 HydrophobicContact CD1-CD1 4.37Å; F201-I244 HydrophobicContact CD1-CG1 4.1Å; F201-I244 HydrophobicContact CE1-CG1 4.46Å; F201-I244 HydrophobicContact CG-CD1 4.31Å; F201-I244 HydrophobicContact CG-CG1 4.49Å; T241-I244 PolarHBondContact O-N 2.91Å; I244-V255 HydrophobicContact CD1-CG1 4.41Å; I244-V255 HydrophobicContact CG2-CG2 3.8Å
245T64.2Low66.9Low77 Ų7777.2 Ų77.247%0.47240%0.399SS..  trans-65.1131.2172.6-48.50000109.8E12 N13E12-T245 PolarHBondContact O-OG1 3.25Å; N13-T245 PolarHBondContact ND2-O 3.05Å; N13-T245 PolarHBondContact OD1-N 3.01Å
246R64.4Low68Low63 Ų6373.1 Ų73.124%0.23838%0.375CS..  trans-120.684.1-179.9-57.7173.2-170.3170.6-1.1108.8P237 V239 T241 E259P237-R246 VanDerWaalsContact CG-NH1 3.29Å; V239-R246 PolarHBondContact O-NH2 3.03Å; T241-R246 PolarHBondContact OG1-NH2 3.44Å; R246-E259 IonicContact NH2-OE1 3.7Å
247G66.7Low69.3Low54 Ų5465.8 Ų65.856%0.55734%0.343SS*.  trans-70.7-35.8-17900000113.7Q251G247-Q251 VanDerWaalsContact CA-OE1 3.23Å
248T79.1Confident70.9Confident71 Ų7164.6 Ų64.644%0.43634%0.335SS..SBendtrans-126.8157.9-175.669.50000113.7K250 Q251 C252T248-K250 PolarHBondContact O-N 3.4Å; T248-Q251 WeakPolarHBondContact O-CB 3.36Å; T248-Q251 PolarHBondContact O-N 3.34Å; T248-Q251 VanDerWaalsContact O-N 3.13Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.36Å; T248-Q251 PolarHBondContact OG1-N 3.3Å; T248-C252 PolarHBondContact O-N 3.26Å; T248-C252 PolarHBondContact O-SG 3.43Å
249L78.8Confident72.7Confident118 Ų11858.2 Ų58.262%0.61831%0.306SS*.Hα-helixtrans-56.4-35.9172.7178.361.6000111.8C252 N253L249-C252 WeakPolarHBondContact O-CB 3.48Å; L249-C252 PolarHBondContact O-N 3.31Å; L249-N253 PolarHBondContact O-N 2.86Å; L249-N253 PolarHBondContact O-OD1 3.47Å
250K80.8Confident74.7Confident44 Ų4456.8 Ų56.819%0.19129%0.291CS..Hα-helixtrans-62.8-47.5176.5-172.5170.7-169.8-178.70111.4R4 T217 S224 T248 C252 N253 M254R4-K250 HydrophobicContact CG-CD 4.09Å; R4-K250 WeakPolarHBondContact O-CD 3.4Å; R4-K250 WeakPolarHBondContact O-CE 3.49Å; R4-K250 PolarHBondContact O-NZ 2.83Å; T217-K250 WeakPolarHBondContact O-CE 3.44Å; T217-K250 PolarHBondContact O-NZ 3.32Å; S224-K250 PolarHBondContact OG-NZ 3.48Å; T248-K250 PolarHBondContact O-N 3.4Å; K250-C252 VanDerWaalsContact C-N 3.32Å; K250-C252 PolarHBondContact O-N 2.94Å; K250-N253 WeakPolarHBondContact O-CB 3.44Å; K250-N253 PolarHBondContact O-N 3.34Å; K250-N253 VanDerWaalsContact O-N 3.14Å; K250-M254 HydrophobicContact CD-CE 4.34Å; K250-M254 HydrophobicContact CG-CE 4.25Å; K250-M254 WeakPolarHBondContact O-CG 3.46Å; K250-M254 PolarHBondContact O-N 3.33Å
251Q84.1Confident76.9Confident1 Ų149.8 Ų49.81%0.00525%0.254CS..Hα-helixtrans-62.1-38175.2-72.5171.8-1800112S8 L9 E12 G247 T248 N253 M254 V255S8-Q251 PolarHBondContact OG-NE2 3.1Å; L9-Q251 HydrophobicContact CB-CG 4.11Å; L9-Q251 HydrophobicContact CD1-CB 4.03Å; L9-Q251 HydrophobicContact CD1-CG 4.03Å; E12-Q251 PolarHBondContact OE2-NE2 2.94Å; E12-Q251 VanDerWaalsContact OE2-NE2 3.11Å; E12-Q251 PolarHBondContact OE2-OE1 3.36Å; G247-Q251 VanDerWaalsContact CA-OE1 3.23Å; T248-Q251 WeakPolarHBondContact O-CB 3.36Å; T248-Q251 PolarHBondContact O-N 3.34Å; T248-Q251 VanDerWaalsContact O-N 3.13Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.36Å; T248-Q251 PolarHBondContact OG1-N 3.3Å; Q251-N253 VanDerWaalsContact C-N 3.33Å; Q251-N253 PolarHBondContact O-N 3.1Å; Q251-M254 WeakPolarHBondContact O-CB 3.3Å; Q251-M254 PolarHBondContact O-N 2.88Å; Q251-V255 WeakPolarHBondContact O-CG2 3.19Å; Q251-V255 PolarHBondContact O-N 3.49Å
252C80.1Confident78.8Confident34 Ų3449.2 Ų49.223%0.2325%0.248CC..Hα-helixtrans-57.7-45.6171.2-69.20000112T248 L249 K250 V255 G256T248-C252 PolarHBondContact O-N 3.26Å; T248-C252 PolarHBondContact O-SG 3.43Å; L249-C252 WeakPolarHBondContact O-CB 3.48Å; L249-C252 PolarHBondContact O-N 3.31Å; K250-C252 VanDerWaalsContact C-N 3.32Å; K250-C252 PolarHBondContact O-N 2.94Å; C252-V255 PolarHBondContact O-N 3.11Å; C252-G256 PolarHBondContact O-N 3.42Å
253N82.3Confident80.7Confident46 Ų4643.1 Ų43.125%0.24623%0.234CC..Hα-helixtrans-66.1-39.1178.3-71.2-2.4000111.6F231 L249 K250 Q251 G256 F257F231-N253 HydrophobicContact CD1-CB 3.86Å; F231-N253 HydrophobicContact CE1-CB 3.76Å; F231-N253 HydrophobicContact CZ-CB 4.37Å; L249-N253 PolarHBondContact O-N 2.86Å; L249-N253 PolarHBondContact O-OD1 3.47Å; K250-N253 WeakPolarHBondContact O-CB 3.44Å; K250-N253 PolarHBondContact O-N 3.34Å; K250-N253 VanDerWaalsContact O-N 3.14Å; Q251-N253 VanDerWaalsContact C-N 3.33Å; Q251-N253 PolarHBondContact O-N 3.1Å; N253-G256 PolarHBondContact O-N 3.43Å; N253-F257 WeakPolarHBondContact O-CB 3.38Å; N253-F257 PolarHBondContact O-N 3.17Å
254M86.6Confident82.2Confident2 Ų238.8 Ų38.81%0.0121%0.213CC..Hα-helixtrans-58.1-52.4174.1-70.9179.416700111.6I3 R4 L6 L9 F213 T217 K250 Q251 F257 L258I3-M254 HydrophobicContact CG2-CE 4.15Å; R4-M254 WeakPolarHBondContact O-CE 3.29Å; L6-M254 HydrophobicContact CB-CE 4.31Å; L9-M254 HydrophobicContact CD2-CB 4.06Å; L9-M254 HydrophobicContact CD2-SD 3.81Å; F213-M254 HydrophobicContact CE2-CB 3.86Å; F213-M254 HydrophobicContact CE2-CG 4.2Å; F213-M254 HydrophobicContact CZ-CB 4.09Å; F213-M254 HydrophobicContact CZ-CG 4.2Å; F213-M254 HydrophobicContact CZ-SD 4.43Å; T217-M254 HydrophobicContact CG2-CB 4.39Å; T217-M254 HydrophobicContact CG2-CE 4.38Å; T217-M254 HydrophobicContact CG2-CG 3.68Å; K250-M254 HydrophobicContact CD-CE 4.34Å; K250-M254 HydrophobicContact CG-CE 4.25Å; K250-M254 WeakPolarHBondContact O-CG 3.46Å; K250-M254 PolarHBondContact O-N 3.33Å; Q251-M254 WeakPolarHBondContact O-CB 3.3Å; Q251-M254 PolarHBondContact O-N 2.88Å; M254-F257 PolarHBondContact O-N 2.85Å; M254-L258 WeakPolarHBondContact O-CG 3.26Å; M254-L258 PolarHBondContact O-N 3.29Å
255V85.3Confident83.6Confident0 Ų040.8 Ų40.80%023%0.227CC..Hα-helixtrans-64.2-44.1-179.71760000110.7L9 I244 Q251 C252 F257 L258 E259L9-V255 HydrophobicContact CD1-CG2 4.23Å; L9-V255 HydrophobicContact CD2-CG2 4.4Å; I244-V255 HydrophobicContact CD1-CG1 4.41Å; I244-V255 HydrophobicContact CG2-CG2 3.8Å; Q251-V255 WeakPolarHBondContact O-CG2 3.19Å; Q251-V255 PolarHBondContact O-N 3.49Å; C252-V255 PolarHBondContact O-N 3.11Å; V255-F257 VanDerWaalsContact C-N 3.27Å; V255-F257 PolarHBondContact O-N 3.36Å; V255-L258 PolarHBondContact O-N 3.1Å; V255-E259 WeakPolarHBondContact O-CG 3.45Å; V255-E259 PolarHBondContact O-N 3.02Å
256G85.1Confident84.9Confident5 Ų541.1 Ų41.15%0.05222%0.221CC..Hα-helixtrans-60.1-36.4175.500000113C252 N253 E259 W260C252-G256 PolarHBondContact O-N 3.42Å; N253-G256 PolarHBondContact O-N 3.43Å; G256-E259 PolarHBondContact O-N 3.47Å; G256-W260 WeakPolarHBondContact O-CB 3.42Å; G256-W260 PolarHBondContact O-N 3.1Å
257F88.6Confident86.3Confident0 Ų042.7 Ų42.70%023%0.231CC..Hα-helixtrans-71-42.3175.5-176.3-139.9000112.5I212 F213 V216 F230 F231 I234 N253 M254 V255 E259 W260 L261 L273I212-F257 HydrophobicContact CG2-CE1 4.44Å; I212-F257 HydrophobicContact CG2-CZ 4Å; F213-F257 HydrophobicContact CB-CE1 4.38Å; F213-F257 AromaticContact CD2-CD1 3.93Å; F213-F257 HydrophobicContact CD2-CD1 3.93Å; V216-F257 HydrophobicContact CB-CD1 4.05Å; V216-F257 HydrophobicContact CB-CE1 3.45Å; V216-F257 VanDerWaalsContact CB-CE1 3.45Å; V216-F257 HydrophobicContact CB-CZ 4.01Å; V216-F257 HydrophobicContact CG1-CD1 3.92Å; V216-F257 HydrophobicContact CG1-CE1 3.66Å; V216-F257 HydrophobicContact CG1-CZ 4.04Å; V216-F257 HydrophobicContact CG2-CE1 3.7Å; V216-F257 HydrophobicContact CG2-CZ 3.79Å; F230-F257 AromaticContact CE1-CD2 3.64Å; F230-F257 HydrophobicContact CE1-CD2 3.64Å; F230-F257 AromaticContact CE1-CE2 3.36Å; F230-F257 HydrophobicContact CE1-CE2 3.36Å; F230-F257 HydrophobicContact CE1-CZ 4.05Å; F230-F257 HydrophobicContact CZ-CD2 4.1Å; F230-F257 AromaticContact CZ-CE2 3.65Å; F230-F257 HydrophobicContact CZ-CE2 3.65Å; F231-F257 HydrophobicContact CE1-CB 4.01Å; I234-F257 HydrophobicContact CD1-CD2 3.8Å; N253-F257 WeakPolarHBondContact O-CB 3.38Å; N253-F257 PolarHBondContact O-N 3.17Å; M254-F257 PolarHBondContact O-N 2.85Å; V255-F257 VanDerWaalsContact C-N 3.27Å; V255-F257 PolarHBondContact O-N 3.36Å; F257-E259 VanDerWaalsContact C-N 3.29Å; F257-E259 PolarHBondContact O-N 3.45Å; F257-W260 HydrophobicContact CD2-CD2 4.41Å; F257-W260 AromaticContact CD2-CE3 3.8Å; F257-W260 HydrophobicContact CD2-CE3 3.8Å; F257-W260 HydrophobicContact CD2-CZ3 4.43Å; F257-W260 HydrophobicContact CE2-CD2 4.34Å; F257-W260 AromaticContact CE2-CE3 3.41Å; F257-W260 HydrophobicContact CE2-CE3 3.41Å; F257-W260 VanDerWaalsContact CE2-CE3 3.41Å; F257-W260 AromaticContact CE2-CZ3 3.6Å; F257-W260 HydrophobicContact CE2-CZ3 3.6Å; F257-W260 HydrophobicContact CZ-CZ3 4.44Å; F257-W260 CarbonylContact O-C 3.57Å; F257-W260 WeakPolarHBondContact O-CB 3.4Å; F257-W260 PolarHBondContact O-N 2.91Å; F257-W260 VanDerWaalsContact O-N 3.15Å; F257-L261 HydrophobicContact CD1-CD1 4.19Å; F257-L261 HydrophobicContact CD2-CD1 4.47Å; F257-L261 HydrophobicContact CD2-CG 4.15Å; F257-L261 HydrophobicContact CE1-CD1 3.89Å; F257-L261 HydrophobicContact CE1-CG 4.41Å; F257-L261 HydrophobicContact CE2-CD1 4.18Å; F257-L261 HydrophobicContact CE2-CD2 3.87Å; F257-L261 HydrophobicContact CE2-CG 3.81Å; F257-L261 HydrophobicContact CG-CD1 4.48Å; F257-L261 HydrophobicContact CZ-CD1 3.88Å; F257-L261 HydrophobicContact CZ-CD2 3.88Å; F257-L261 HydrophobicContact CZ-CG 3.95Å; F257-L261 WeakPolarHBondContact O-CG 3.35Å; F257-L261 PolarHBondContact O-N 3.44Å; F257-L273 HydrophobicContact CZ-CD2 4.39Å
258L89.9Confident87.5Confident0 Ų045.4 Ų45.40%023%0.229CC..Hα-helixtrans-60.9-39.8173.4-69.2168.2000111.6W198 L202 L205 L210 F213 M254 V255 L261 Q262W198-L258 HydrophobicContact CD2-CD1 4.35Å; W198-L258 HydrophobicContact CE3-CD1 3.88Å; W198-L258 HydrophobicContact CH2-CD1 3.67Å; W198-L258 HydrophobicContact CZ2-CD1 4.14Å; W198-L258 HydrophobicContact CZ3-CD1 3.52Å; L202-L258 HydrophobicContact CD1-CB 3.46Å; L202-L258 VanDerWaalsContact CD1-CB 3.46Å; L202-L258 HydrophobicContact CD1-CD1 4.43Å; L202-L258 HydrophobicContact CD1-CG 4.46Å; L205-L258 HydrophobicContact CD2-CD2 4.02Å; L210-L258 HydrophobicContact CD2-CD2 3.93Å; F213-L258 HydrophobicContact CB-CD2 4.12Å; F213-L258 HydrophobicContact CD1-CD2 4.3Å; F213-L258 HydrophobicContact CD2-CD1 4.24Å; F213-L258 HydrophobicContact CD2-CD2 3.42Å; F213-L258 VanDerWaalsContact CD2-CD2 3.42Å; F213-L258 HydrophobicContact CD2-CG 3.56Å; F213-L258 HydrophobicContact CE2-CD1 3.74Å; F213-L258 HydrophobicContact CE2-CD2 3.82Å; F213-L258 HydrophobicContact CE2-CG 3.52Å; F213-L258 HydrophobicContact CG-CD2 3.68Å; F213-L258 HydrophobicContact CG-CG 4.31Å; F213-L258 HydrophobicContact CZ-CD1 4.04Å; F213-L258 HydrophobicContact CZ-CD2 4.42Å; F213-L258 HydrophobicContact CZ-CG 4.26Å; M254-L258 WeakPolarHBondContact O-CG 3.26Å; M254-L258 PolarHBondContact O-N 3.29Å; V255-L258 PolarHBondContact O-N 3.1Å; L258-L261 PolarHBondContact O-N 3.16Å; L258-Q262 PolarHBondContact O-N 2.84Å
259E87.8Confident88.2Confident37 Ų3742 Ų4217%0.17321%0.208CC..Hα-helixtrans-62.6-41.6173-76.1179.6-174.800111.8L202 P237 R246 V255 G256 F257 L261 Q262L202-E259 HydrophobicContact CD2-CG 3.94Å; P237-E259 WeakPolarHBondContact CA-OE2 3.46Å; P237-E259 VanDerWaalsContact CB-OE2 3.23Å; P237-E259 WeakPolarHBondContact CB-OE2 3.47Å; R246-E259 IonicContact NH2-OE1 3.7Å; V255-E259 WeakPolarHBondContact O-CG 3.45Å; V255-E259 PolarHBondContact O-N 3.02Å; G256-E259 PolarHBondContact O-N 3.47Å; F257-E259 VanDerWaalsContact C-N 3.29Å; F257-E259 PolarHBondContact O-N 3.45Å; E259-L261 VanDerWaalsContact C-N 3.34Å; E259-Q262 WeakPolarHBondContact O-CB 3.32Å; E259-Q262 PolarHBondContact O-N 2.93Å; E259-Q262 PolarHBondContact O-NE2 3.34Å
260W89.3Confident88.8Confident60 Ų6036.4 Ų36.423%0.22718%0.179CC..Hα-helixtrans-65.1-35.1175178.994.1000112.2F230 I234 G256 F257 Q262 K264 A269F230-W260 HydrophobicContact CE2-CH2 4.06Å; F230-W260 AromaticContact CE2-CZ2 3.88Å; F230-W260 HydrophobicContact CE2-CZ2 3.88Å; F230-W260 HydrophobicContact CZ-CD2 4.17Å; F230-W260 HydrophobicContact CZ-CE3 4.09Å; F230-W260 AromaticContact CZ-CH2 3.73Å; F230-W260 HydrophobicContact CZ-CH2 3.73Å; F230-W260 AromaticContact CZ-CZ2 3.81Å; F230-W260 HydrophobicContact CZ-CZ2 3.81Å; F230-W260 AromaticContact CZ-CZ3 3.88Å; F230-W260 HydrophobicContact CZ-CZ3 3.88Å; I234-W260 HydrophobicContact CG1-CG 4.27Å; I234-W260 HydrophobicContact CG2-CB 3.89Å; I234-W260 HydrophobicContact CG2-CG 4.12Å; G256-W260 WeakPolarHBondContact O-CB 3.42Å; G256-W260 PolarHBondContact O-N 3.1Å; F257-W260 HydrophobicContact CD2-CD2 4.41Å; F257-W260 AromaticContact CD2-CE3 3.8Å; F257-W260 HydrophobicContact CD2-CE3 3.8Å; F257-W260 HydrophobicContact CD2-CZ3 4.43Å; F257-W260 HydrophobicContact CE2-CD2 4.34Å; F257-W260 AromaticContact CE2-CE3 3.41Å; F257-W260 HydrophobicContact CE2-CE3 3.41Å; F257-W260 VanDerWaalsContact CE2-CE3 3.41Å; F257-W260 AromaticContact CE2-CZ3 3.6Å; F257-W260 HydrophobicContact CE2-CZ3 3.6Å; F257-W260 HydrophobicContact CZ-CZ3 4.44Å; F257-W260 CarbonylContact O-C 3.57Å; F257-W260 WeakPolarHBondContact O-CB 3.4Å; F257-W260 PolarHBondContact O-N 2.91Å; F257-W260 VanDerWaalsContact O-N 3.15Å; W260-Q262 PolarHBondContact O-N 3.42Å; W260-K264 HydrophobicContact CD2-CD 4.19Å; W260-K264 HydrophobicContact CE3-CD 3.81Å; W260-K264 HydrophobicContact CH2-CD 3.64Å; W260-K264 VanDerWaalsContact CH2-CE 3.45Å; W260-K264 HydrophobicContact CZ2-CD 4.02Å; W260-K264 HydrophobicContact CZ3-CD 3.51Å; W260-K264 PolarHBondContact O-NZ 3.38Å; W260-A269 HydrophobicContact CZ3-CB 4.32Å
261L92Very high89.2Confident0 Ų038 Ų380%019%0.187CC..Hα-helixtrans-69.3-13.7178.8-74.4171.5000113.6L205 L209 F213 F257 L258 E259 K264 A269L205-L261 HydrophobicContact CD1-CB 3.63Å; L209-L261 HydrophobicContact CB-CD1 4.41Å; L209-L261 HydrophobicContact CB-CD2 4.37Å; L209-L261 HydrophobicContact CD1-CB 4.25Å; L209-L261 HydrophobicContact CD1-CD2 4.19Å; F213-L261 HydrophobicContact CB-CD1 4.13Å; F257-L261 HydrophobicContact CD1-CD1 4.19Å; F257-L261 HydrophobicContact CD2-CD1 4.47Å; F257-L261 HydrophobicContact CD2-CG 4.15Å; F257-L261 HydrophobicContact CE1-CD1 3.89Å; F257-L261 HydrophobicContact CE1-CG 4.41Å; F257-L261 HydrophobicContact CE2-CD1 4.18Å; F257-L261 HydrophobicContact CE2-CD2 3.87Å; F257-L261 HydrophobicContact CE2-CG 3.81Å; F257-L261 HydrophobicContact CG-CD1 4.48Å; F257-L261 HydrophobicContact CZ-CD1 3.88Å; F257-L261 HydrophobicContact CZ-CD2 3.88Å; F257-L261 HydrophobicContact CZ-CG 3.95Å; F257-L261 WeakPolarHBondContact O-CG 3.35Å; F257-L261 PolarHBondContact O-N 3.44Å; L258-L261 PolarHBondContact O-N 3.16Å; E259-L261 VanDerWaalsContact C-N 3.34Å; L261-K264 PolarHBondContact O-N 2.8Å; L261-A269 HydrophobicContact CD2-CB 3.84Å
262Q91.2Very high89.4Confident31 Ų3138.9 Ų38.915%0.14520%0.197CC..THydrogen-bonded Turntrans-57.7142.5175.1-69.7-177.799.200111.4R204 L205 L258 E259 W260 K264R204-Q262 HydrophobicContact CB-CB 4.03Å; R204-Q262 HydrophobicContact CB-CG 4.19Å; R204-Q262 WeakPolarHBondContact O-CA 3.24Å; L205-Q262 HydrophobicContact CB-CG 4.5Å; L258-Q262 PolarHBondContact O-N 2.84Å; E259-Q262 WeakPolarHBondContact O-CB 3.32Å; E259-Q262 PolarHBondContact O-N 2.93Å; E259-Q262 PolarHBondContact O-NE2 3.34Å; W260-Q262 PolarHBondContact O-N 3.42Å; Q262-K264 PolarHBondContact O-N 3.39Å
263D91.6Very high89.8Confident109 Ų10937.3 Ų37.358%0.58319%0.186SC*.THydrogen-bonded Turntrans62.55.4178.3-53.5-63.4000115.3R204R204-D263 WeakPolarHBondContact CB-OD1 3.06Å; R204-D263 VanDerWaalsContact CD-OD1 3.22Å; R204-D263 WeakPolarHBondContact CD-OD1 3.48Å; R204-D263 IonicContact CZ-OD2 2.97Å; R204-D263 IonicContact NE-OD1 3.45Å; R204-D263 PolarHBondContact NE-OD1 3.33Å; R204-D263 IonicContact NE-OD2 3.17Å; R204-D263 PolarHBondContact NE-OD2 3.03Å; R204-D263 IonicContact NH2-OD2 3.76Å; R204-D263 PolarHBondContact O-N 2.83Å
264K92.9Very high90Very high51 Ų5135.2 Ų35.222%0.22218%0.175CC..  trans-89.1143.8176.4-67.5-165.6167.173.10111.9L209 W260 L261 Q262 E268 A269L209-K264 HydrophobicContact CD1-CB 4.35Å; L209-K264 WeakPolarHBondContact CD1-O 3.2Å; W260-K264 HydrophobicContact CD2-CD 4.19Å; W260-K264 HydrophobicContact CE3-CD 3.81Å; W260-K264 HydrophobicContact CH2-CD 3.64Å; W260-K264 VanDerWaalsContact CH2-CE 3.45Å; W260-K264 HydrophobicContact CZ2-CD 4.02Å; W260-K264 HydrophobicContact CZ3-CD 3.51Å; W260-K264 PolarHBondContact O-NZ 3.38Å; L261-K264 PolarHBondContact O-N 2.8Å; Q262-K264 PolarHBondContact O-N 3.39Å; K264-E268 HydrophobicContact CB-CB 4.41Å; K264-A269 HydrophobicContact CB-CB 4.46Å; K264-A269 HydrophobicContact CD-CB 4.37Å
265S94Very high89.9Confident53 Ų5339.2 Ų39.237%0.37120%0.202SC..  trans-78.5165.9159.165.40000111.3E267 E268 A269S265-E267 VanDerWaalsContact C-N 3.34Å; S265-E267 PolarHBondContact O-N 2.72Å; S265-E268 WeakPolarHBondContact CB-OE2 3.46Å; S265-E268 PolarHBondContact N-OE2 2.84Å; S265-E268 PolarHBondContact O-N 2.59Å; S265-E268 VanDerWaalsContact OG-CD 3.25Å; S265-E268 VanDerWaalsContact OG-CG 3.25Å; S265-E268 WeakPolarHBondContact OG-CG 3.35Å; S265-E268 PolarHBondContact OG-N 3.2Å; S265-E268 PolarHBondContact OG-OE2 3.42Å; S265-A269 WeakPolarHBondContact O-CB 3.42Å; S265-A269 PolarHBondContact O-N 3.39Å
266Y92.2Very high89.5Confident85 Ų8541 Ų4133%0.33321%0.214SC..Hα-helixtrans-54.3-47.1174.4176.8-90000112.6I212 A269 L270 L293I212-Y266 HydrophobicContact CD1-CD2 3.99Å; I212-Y266 HydrophobicContact CD1-CE2 4.09Å; Y266-A269 PolarHBondContact O-N 2.71Å; Y266-L270 HydrophobicContact CE1-CD2 4Å; Y266-L270 WeakPolarHBondContact O-CB 3.35Å; Y266-L270 PolarHBondContact O-N 2.81Å; Y266-L293 HydrophobicContact CE2-CD1 3.97Å; Y266-L293 VanDerWaalsContact OH-CD1 3.25Å; Y266-L293 WeakPolarHBondContact OH-CD1 3.42Å
267E93.3Very high89.2Confident95 Ų9541.8 Ų41.844%0.44422%0.22SC..Hα-helixtrans-68.6-36.9-179.1-69.7-58141.300112.5S265 L270 E271 R286S265-E267 VanDerWaalsContact C-N 3.34Å; S265-E267 PolarHBondContact O-N 2.72Å; E267-L270 PolarHBondContact O-N 3.1Å; E267-E271 WeakPolarHBondContact O-CB 3.18Å; E267-E271 WeakPolarHBondContact O-CG 3.4Å; E267-E271 PolarHBondContact O-N 2.99Å; E267-R286 IonicContact OE2-CZ 2.77Å; E267-R286 IonicContact OE2-NH1 3.99Å; E267-R286 IonicContact OE2-NH2 3.57Å; E267-R286 PolarHBondContact OE2-NH2 2.95Å
268E93.4Very high88.8Confident112 Ų11245 Ų4552%0.52324%0.243SC..Hα-helixtrans-66.6-40.5175.9-72.3164.8140.200111.9K264 S265 G272K264-E268 HydrophobicContact CB-CB 4.41Å; S265-E268 WeakPolarHBondContact CB-OE2 3.46Å; S265-E268 PolarHBondContact N-OE2 2.84Å; S265-E268 PolarHBondContact O-N 2.59Å; S265-E268 VanDerWaalsContact OG-CD 3.25Å; S265-E268 VanDerWaalsContact OG-CG 3.25Å; S265-E268 WeakPolarHBondContact OG-CG 3.35Å; S265-E268 PolarHBondContact OG-N 3.2Å; S265-E268 PolarHBondContact OG-OE2 3.42Å; E268-G272 PolarHBondContact O-N 2.81Å
269A92.2Very high88.3Confident0 Ų050.5 Ų50.50%028%0.281CS..Hα-helixtrans-63.3-46.5174.900000111L209 I212 W260 L261 K264 S265 Y266 G272 L273L209-A269 HydrophobicContact CD2-CB 4.11Å; I212-A269 HydrophobicContact CD1-CB 3.88Å; W260-A269 HydrophobicContact CZ3-CB 4.32Å; L261-A269 HydrophobicContact CD2-CB 3.84Å; K264-A269 HydrophobicContact CB-CB 4.46Å; K264-A269 HydrophobicContact CD-CB 4.37Å; S265-A269 WeakPolarHBondContact O-CB 3.42Å; S265-A269 PolarHBondContact O-N 3.39Å; Y266-A269 PolarHBondContact O-N 2.71Å; A269-G272 PolarHBondContact O-N 3.41Å; A269-L273 WeakPolarHBondContact O-CG 3.19Å; A269-L273 PolarHBondContact O-N 3.43Å
270L91.6Very high88.1Confident0 Ų052.1 Ų52.10%031%0.307CS..Hα-helixtrans-63.5-48.5179.2-177.256.1000111.9Y266 E267 G272 L273 L274 R286 I289Y266-L270 HydrophobicContact CE1-CD2 4Å; Y266-L270 WeakPolarHBondContact O-CB 3.35Å; Y266-L270 PolarHBondContact O-N 2.81Å; E267-L270 PolarHBondContact O-N 3.1Å; L270-G272 VanDerWaalsContact C-N 3.27Å; L270-G272 PolarHBondContact O-N 3.08Å; L270-L273 WeakPolarHBondContact O-CB 3.26Å; L270-L273 PolarHBondContact O-N 2.97Å; L270-L273 VanDerWaalsContact O-N 3.08Å; L270-L274 HydrophobicContact CD1-CG 4.38Å; L270-L274 HydrophobicContact CG-CD1 4.23Å; L270-L274 WeakPolarHBondContact O-CG 3.37Å; L270-L274 PolarHBondContact O-N 2.95Å; L270-R286 HydrophobicContact CD2-CG 4.41Å; L270-I289 HydrophobicContact CD1-CB 4.37Å; L270-I289 HydrophobicContact CD1-CD1 4.24Å; L270-I289 HydrophobicContact CD1-CG2 3.79Å
271E90.1Very high87.9Confident76 Ų7653.9 Ų53.936%0.35532%0.321SS..Hα-helixtrans-60.6-37.1176.4-79.1-57.1139.500112.5E267 L273 L274 C275 R282 R286E267-E271 WeakPolarHBondContact O-CB 3.18Å; E267-E271 WeakPolarHBondContact O-CG 3.4Å; E267-E271 PolarHBondContact O-N 2.99Å; E271-L273 VanDerWaalsContact C-N 3.29Å; E271-L273 PolarHBondContact O-N 3.39Å; E271-L274 PolarHBondContact O-N 3.5Å; E271-C275 PolarHBondContact O-N 2.87Å; E271-C275 VanDerWaalsContact O-N 3.11Å; E271-C275 PolarHBondContact O-SG 2.96Å; E271-R282 IonicContact OE2-CZ 2.77Å; E271-R282 IonicContact OE2-NH2 3.7Å; E271-R282 PolarHBondContact OE2-NH2 3.36Å; E271-R286 IonicContact OE1-CZ 3.94Å; E271-R286 IonicContact OE1-NH2 2.67Å; E271-R286 PolarHBondContact OE1-NH2 3.24Å
272G88.2Confident87.8Confident21 Ų2157.5 Ų57.522%0.21634%0.335CS..Hα-helixtrans-57.7-40.417300000113.1E268 A269 L270E268-G272 PolarHBondContact O-N 2.81Å; A269-G272 PolarHBondContact O-N 3.41Å; L270-G272 VanDerWaalsContact C-N 3.27Å; L270-G272 PolarHBondContact O-N 3.08Å
273L87.5Confident87.7Confident1 Ų161.4 Ų61.41%0.00535%0.353CS..Hα-helixtrans-70.9-40.8175.3-64.2175.9000112.4I212 V216 F227 F230 F257 A269 L270 E271 C275 C276 I289I212-L273 HydrophobicContact CG2-CD1 3.46Å; I212-L273 VanDerWaalsContact CG2-CD1 3.46Å; V216-L273 HydrophobicContact CG1-CD2 4.42Å; V216-L273 HydrophobicContact CG2-CD1 3.63Å; V216-L273 HydrophobicContact CG2-CD2 3.55Å; V216-L273 HydrophobicContact CG2-CG 4.26Å; F227-L273 HydrophobicContact CD1-CD2 4.13Å; F227-L273 HydrophobicContact CE1-CD1 4.5Å; F227-L273 HydrophobicContact CE1-CD2 4.27Å; F230-L273 HydrophobicContact CD1-CD2 3.59Å; F230-L273 HydrophobicContact CD2-CD2 4.01Å; F230-L273 HydrophobicContact CE1-CD2 3.4Å; F230-L273 VanDerWaalsContact CE1-CD2 3.4Å; F230-L273 HydrophobicContact CE2-CD2 3.88Å; F230-L273 HydrophobicContact CG-CD2 3.87Å; F230-L273 HydrophobicContact CZ-CD2 3.58Å; F257-L273 HydrophobicContact CZ-CD2 4.39Å; A269-L273 WeakPolarHBondContact O-CG 3.19Å; A269-L273 PolarHBondContact O-N 3.43Å; L270-L273 WeakPolarHBondContact O-CB 3.26Å; L270-L273 PolarHBondContact O-N 2.97Å; L270-L273 VanDerWaalsContact O-N 3.08Å; E271-L273 VanDerWaalsContact C-N 3.29Å; E271-L273 PolarHBondContact O-N 3.39Å; L273-C275 PolarHBondContact O-N 3.37Å; L273-C276 WeakPolarHBondContact O-CB 3.18Å; L273-C276 PolarHBondContact O-N 3.3Å; L273-C276 VanDerWaalsContact O-N 3.1Å; L273-I289 HydrophobicContact CB-CD1 4.42Å
274L87.8Confident87.6Confident2 Ų259.1 Ų59.11%0.0135%0.345CS..Hα-helixtrans-65.8-23.5-178.9-65.7178.7000113.1L270 E271 C276 A277 F285 R286 I289L270-L274 HydrophobicContact CD1-CG 4.38Å; L270-L274 HydrophobicContact CG-CD1 4.23Å; L270-L274 WeakPolarHBondContact O-CG 3.37Å; L270-L274 PolarHBondContact O-N 2.95Å; E271-L274 PolarHBondContact O-N 3.5Å; L274-C276 PolarHBondContact O-N 2.93Å; L274-C276 VanDerWaalsContact O-N 3.15Å; L274-A277 PolarHBondContact O-N 2.94Å; L274-A277 VanDerWaalsContact O-N 3.08Å; L274-F285 HydrophobicContact CD2-CB 4.36Å; L274-F285 HydrophobicContact CD2-CD1 3.76Å; L274-F285 HydrophobicContact CD2-CG 4.44Å; L274-R286 HydrophobicContact CD1-CB 3.96Å; L274-R286 HydrophobicContact CD1-CG 4.19Å; L274-R286 VanDerWaalsContact CD1-NE 3.34Å; L274-R286 HydrophobicContact CD2-CB 3.8Å; L274-I289 HydrophobicContact CD2-CD1 4.2Å
275C83.2Confident87.5Confident86 Ų8658.4 Ų58.458%0.58134%0.342SS*.THydrogen-bonded Turntrans-60.5-18.5172.6-74.10000113.9E271 L273E271-C275 PolarHBondContact O-N 2.87Å; E271-C275 VanDerWaalsContact O-N 3.11Å; E271-C275 PolarHBondContact O-SG 2.96Å; L273-C275 PolarHBondContact O-N 3.37Å
276C77.6Confident87.4Confident38 Ų3857.9 Ų57.926%0.25733%0.332SS..THydrogen-bonded Turntrans-84.2-13.3177.3-57.10000113.3N229 F230 L273 L274N229-C276 HydrophobicContact CB-CB 4.49Å; F230-C276 WeakPolarHBondContact CA-SG 3.12Å; F230-C276 HydrophobicContact CB-CB 4.38Å; F230-C276 WeakPolarHBondContact CB-SG 3.3Å; L273-C276 WeakPolarHBondContact O-CB 3.18Å; L273-C276 PolarHBondContact O-N 3.3Å; L273-C276 VanDerWaalsContact O-N 3.1Å; L274-C276 PolarHBondContact O-N 2.93Å; L274-C276 VanDerWaalsContact O-N 3.15Å
277A78.9Confident87.4Confident21 Ų2158.1 Ų58.117%0.17434%0.336CS..SBendtrans-89.6142.4174.900000110.9L274 R282 F285L274-A277 PolarHBondContact O-N 2.94Å; L274-A277 VanDerWaalsContact O-N 3.08Å; A277-R282 HydrophobicContact CB-CG 4.25Å; A277-F285 HydrophobicContact CB-CB 4.16Å; A277-F285 HydrophobicContact CB-CD1 3.73Å; A277-F285 HydrophobicContact CB-CE1 4.42Å; A277-F285 HydrophobicContact CB-CG 4.17Å
278S80Confident87.2Confident68 Ų6859.4 Ų59.448%0.47634%0.34SS..  trans-55.2143.2169.457.50000110.6G280 N281 R282S278-G280 PolarHBondContact O-N 3.15Å; S278-N281 PolarHBondContact O-N 3.41Å; S278-N281 PolarHBondContact OG-ND2 3.38Å; S278-R282 PolarHBondContact O-N 3.22Å
279S79.5Confident87.1Confident114 Ų11454.1 Ų54.180%0.79732%0.316SS*.G310 helixtrans-47.2-42.2-176.153.30000114.1N281S279-N281 VanDerWaalsContact C-N 3.28Å; S279-N281 PolarHBondContact O-N 2.87Å
280G83.9Confident87.1Confident71 Ų7157.4 Ų57.473%0.73233%0.331SS*.G310 helixtrans-68.8-17.4178.900000115.8S278S278-G280 PolarHBondContact O-N 3.15Å
281N85.8Confident87.1Confident98 Ų9862.6 Ų62.652%0.52436%0.359SS..G310 helixtrans-109.9-3.6-176.4-69.4-31000113.6S278 S279 Q283 C284 F285S278-N281 PolarHBondContact O-N 3.41Å; S278-N281 PolarHBondContact OG-ND2 3.38Å; S279-N281 VanDerWaalsContact C-N 3.28Å; S279-N281 PolarHBondContact O-N 2.87Å; N281-Q283 VanDerWaalsContact C-N 3.32Å; N281-Q283 PolarHBondContact O-N 2.86Å; N281-C284 PolarHBondContact O-N 2.66Å; N281-F285 WeakPolarHBondContact O-CB 3.23Å; N281-F285 PolarHBondContact O-N 3.42Å
282R88.5Confident87Confident75 Ų7559 Ų5928%0.28334%0.342SS..Hα-helixtrans-55.2-44.2-175.1-73.3-177.677.7125-2.7112.7E271 A277 S278 F285 R286E271-R282 IonicContact OE2-CZ 2.77Å; E271-R282 IonicContact OE2-NH2 3.7Å; E271-R282 PolarHBondContact OE2-NH2 3.36Å; A277-R282 HydrophobicContact CB-CG 4.25Å; S278-R282 PolarHBondContact O-N 3.22Å; R282-F285 PolarHBondContact O-N 2.88Å; R282-R286 WeakPolarHBondContact O-CB 3.44Å; R282-R286 PolarHBondContact O-N 2.82Å
283Q90.2Very high87.2Confident113 Ų11358.7 Ų58.753%0.52834%0.336SS..Hα-helixtrans-65.2-48.2-179.4-177.857.828.900112.2N281 F285 R286 E287N281-Q283 VanDerWaalsContact C-N 3.32Å; N281-Q283 PolarHBondContact O-N 2.86Å; Q283-F285 VanDerWaalsContact C-N 3.26Å; Q283-F285 PolarHBondContact O-N 3.01Å; Q283-R286 WeakPolarHBondContact O-CB 3.44Å; Q283-R286 PolarHBondContact O-N 3.15Å; Q283-E287 PolarHBondContact NE2-OE1 3.24Å; Q283-E287 WeakPolarHBondContact O-CG 3.5Å; Q283-E287 PolarHBondContact O-N 3.3Å
284C89.8Confident87.4Confident62 Ų6261.4 Ų61.442%0.41935%0.354SS..Hα-helixtrans-61.6-37.5176.7-179.80000111.6N281 K288N281-C284 PolarHBondContact O-N 2.66Å; C284-K288 WeakPolarHBondContact O-CG 3.28Å; C284-K288 PolarHBondContact O-N 3.36Å; C284-K288 VanDerWaalsContact O-N 3.13Å
285F89.4Confident87.6Confident36 Ų3662.1 Ų62.116%0.15836%0.358CS..Hα-helixtrans-68.3-42176.8-168.2-130.2000112.1F222 F227 L274 A277 N281 R282 Q283 E287 K288 I289F222-F285 HydrophobicContact CE1-CD2 4.39Å; F222-F285 AromaticContact CE1-CE2 3.75Å; F222-F285 HydrophobicContact CE1-CE2 3.75Å; F222-F285 HydrophobicContact CZ-CE2 4.47Å; F227-F285 HydrophobicContact CD1-CZ 4.13Å; F227-F285 HydrophobicContact CE1-CE1 4.03Å; F227-F285 HydrophobicContact CE1-CE2 4.42Å; F227-F285 AromaticContact CE1-CZ 3.45Å; F227-F285 HydrophobicContact CE1-CZ 3.45Å; F227-F285 VanDerWaalsContact CE1-CZ 3.45Å; F227-F285 HydrophobicContact CZ-CE2 4.43Å; F227-F285 AromaticContact CZ-CZ 3.87Å; F227-F285 HydrophobicContact CZ-CZ 3.87Å; L274-F285 HydrophobicContact CD2-CB 4.36Å; L274-F285 HydrophobicContact CD2-CD1 3.76Å; L274-F285 HydrophobicContact CD2-CG 4.44Å; A277-F285 HydrophobicContact CB-CB 4.16Å; A277-F285 HydrophobicContact CB-CD1 3.73Å; A277-F285 HydrophobicContact CB-CE1 4.42Å; A277-F285 HydrophobicContact CB-CG 4.17Å; N281-F285 WeakPolarHBondContact O-CB 3.23Å; N281-F285 PolarHBondContact O-N 3.42Å; R282-F285 PolarHBondContact O-N 2.88Å; Q283-F285 VanDerWaalsContact C-N 3.26Å; Q283-F285 PolarHBondContact O-N 3.01Å; F285-E287 PolarHBondContact O-N 3Å; F285-K288 PolarHBondContact O-N 2.97Å; F285-I289 HydrophobicContact CD1-CD1 3.88Å; F285-I289 HydrophobicContact CE1-CD1 3.71Å; F285-I289 HydrophobicContact CE2-CD1 4.44Å; F285-I289 HydrophobicContact CG-CD1 4.32Å; F285-I289 HydrophobicContact CZ-CD1 4.01Å; F285-I289 WeakPolarHBondContact O-CG1 3.26Å; F285-I289 PolarHBondContact O-N 3.03Å
286R92.3Very high88.1Confident41 Ų4158.3 Ų58.316%0.15533%0.331CS..Hα-helixtrans-55-50.5172.5179.3-179.7-91.5-99.74.9111.3E267 L270 E271 L274 R282 Q283 K288 I289 E290E267-R286 IonicContact OE2-CZ 2.77Å; E267-R286 IonicContact OE2-NH1 3.99Å; E267-R286 IonicContact OE2-NH2 3.57Å; E267-R286 PolarHBondContact OE2-NH2 2.95Å; L270-R286 HydrophobicContact CD2-CG 4.41Å; E271-R286 IonicContact OE1-CZ 3.94Å; E271-R286 IonicContact OE1-NH2 2.67Å; E271-R286 PolarHBondContact OE1-NH2 3.24Å; L274-R286 HydrophobicContact CD1-CB 3.96Å; L274-R286 HydrophobicContact CD1-CG 4.19Å; L274-R286 VanDerWaalsContact CD1-NE 3.34Å; L274-R286 HydrophobicContact CD2-CB 3.8Å; R282-R286 WeakPolarHBondContact O-CB 3.44Å; R282-R286 PolarHBondContact O-N 2.82Å; Q283-R286 WeakPolarHBondContact O-CB 3.44Å; Q283-R286 PolarHBondContact O-N 3.15Å; R286-K288 VanDerWaalsContact C-N 3.32Å; R286-K288 PolarHBondContact O-N 3.08Å; R286-I289 PolarHBondContact O-N 3.41Å; R286-I289 VanDerWaalsContact O-N 3.14Å; R286-E290 HydrophobicContact CG-CG 4.36Å; R286-E290 WeakPolarHBondContact CG-OE1 3.41Å; R286-E290 IonicContact NH1-OE1 3.73Å; R286-E290 PolarHBondContact NH1-OE1 2.94Å; R286-E290 WeakPolarHBondContact O-CG 3Å; R286-E290 PolarHBondContact O-N 3Å
287E91.6Very high88.8Confident91 Ų9161.8 Ų61.843%0.42535%0.347SS..Hα-helixtrans-60-39.9178.7-72.7167.4-164.700112.4Q283 F285 N291Q283-E287 PolarHBondContact NE2-OE1 3.24Å; Q283-E287 WeakPolarHBondContact O-CG 3.5Å; Q283-E287 PolarHBondContact O-N 3.3Å; F285-E287 PolarHBondContact O-N 3Å; E287-N291 VanDerWaalsContact O-CB 3.31Å; E287-N291 WeakPolarHBondContact O-CB 3.49Å; E287-N291 PolarHBondContact O-N 3.44Å; E287-N291 PolarHBondContact O-ND2 2.98Å
288K90Very high89.5Confident122 Ų12261.7 Ų61.753%0.5334%0.344SS..Hα-helixtrans-64.1-42.8175.2-72.3179.7-178.4-178.60112.1F222 C284 F285 R286 A292F222-K288 HydrophobicContact CZ-CB 3.84Å; C284-K288 WeakPolarHBondContact O-CG 3.28Å; C284-K288 PolarHBondContact O-N 3.36Å; C284-K288 VanDerWaalsContact O-N 3.13Å; F285-K288 PolarHBondContact O-N 2.97Å; R286-K288 VanDerWaalsContact C-N 3.32Å; R286-K288 PolarHBondContact O-N 3.08Å; K288-A292 PolarHBondContact O-N 3.29Å; K288-A292 VanDerWaalsContact O-N 3.1Å
289I91.2Very high90.2Very high0 Ų066.4 Ų66.40%036%0.356CS..Hα-helixtrans-63.3-50.3177.2-68.6168.6000109.9F222 F227 L270 L273 L274 F285 R286 N291 A292 L293F222-I289 HydrophobicContact CE2-CG1 4.39Å; F222-I289 HydrophobicContact CZ-CG1 3.87Å; F227-I289 HydrophobicContact CE1-CD1 4.31Å; F227-I289 HydrophobicContact CZ-CD1 4.45Å; F227-I289 HydrophobicContact CZ-CG1 4.41Å; L270-I289 HydrophobicContact CD1-CB 4.37Å; L270-I289 HydrophobicContact CD1-CD1 4.24Å; L270-I289 HydrophobicContact CD1-CG2 3.79Å; L273-I289 HydrophobicContact CB-CD1 4.42Å; L274-I289 HydrophobicContact CD2-CD1 4.2Å; F285-I289 HydrophobicContact CD1-CD1 3.88Å; F285-I289 HydrophobicContact CE1-CD1 3.71Å; F285-I289 HydrophobicContact CE2-CD1 4.44Å; F285-I289 HydrophobicContact CG-CD1 4.32Å; F285-I289 HydrophobicContact CZ-CD1 4.01Å; F285-I289 WeakPolarHBondContact O-CG1 3.26Å; F285-I289 PolarHBondContact O-N 3.03Å; R286-I289 PolarHBondContact O-N 3.41Å; R286-I289 VanDerWaalsContact O-N 3.14Å; I289-N291 VanDerWaalsContact C-N 3.33Å; I289-N291 PolarHBondContact O-N 3.13Å; I289-A292 PolarHBondContact O-N 2.82Å; I289-A292 VanDerWaalsContact O-N 3.12Å; I289-L293 HydrophobicContact CG2-CD1 3.7Å; I289-L293 HydrophobicContact CG2-CG 4.16Å; I289-L293 VanDerWaalsContact O-CG 3.29Å; I289-L293 WeakPolarHBondContact O-CG 3.28Å; I289-L293 PolarHBondContact O-N 3.3Å
290E92.7Very high91.1Very high70 Ų7063.2 Ų63.233%0.32734%0.336SS..Hα-helixtrans-60.7-40.3-179.7-72.5173.1176.600112.3R286 L293 S294R286-E290 HydrophobicContact CG-CG 4.36Å; R286-E290 WeakPolarHBondContact CG-OE1 3.41Å; R286-E290 IonicContact NH1-OE1 3.73Å; R286-E290 PolarHBondContact NH1-OE1 2.94Å; R286-E290 WeakPolarHBondContact O-CG 3Å; R286-E290 PolarHBondContact O-N 3Å; E290-L293 PolarHBondContact O-N 3.27Å; E290-S294 PolarHBondContact O-N 2.96Å
291N90.2Very high91.7Very high109 Ų10962.8 Ų62.858%0.58332%0.317SS*.Hα-helixtrans-61.4-44.3173.6-77.9-38.6000112.1E287 I289 S294E287-N291 VanDerWaalsContact O-CB 3.31Å; E287-N291 WeakPolarHBondContact O-CB 3.49Å; E287-N291 PolarHBondContact O-N 3.44Å; E287-N291 PolarHBondContact O-ND2 2.98Å; I289-N291 VanDerWaalsContact C-N 3.33Å; I289-N291 PolarHBondContact O-N 3.13Å; N291-S294 WeakPolarHBondContact O-CB 3.4Å; N291-S294 PolarHBondContact O-N 2.82Å; N291-S294 PolarHBondContact O-OG 2.55Å
292A89.6Confident92.3Very high1 Ų158.6 Ų58.61%0.00830%0.296CS..Hα-helixtrans-66-38.117600000112.1I215 F221 F222 K288 I289 S294 F295I215-A292 HydrophobicContact CD1-CB 3.56Å; I215-A292 HydrophobicContact CG1-CB 3.93Å; F221-A292 HydrophobicContact CB-CB 3.56Å; F221-A292 HydrophobicContact CD1-CB 3.93Å; F221-A292 HydrophobicContact CD2-CB 4.09Å; F221-A292 HydrophobicContact CG-CB 3.59Å; F222-A292 HydrophobicContact CD2-CB 4.16Å; F222-A292 HydrophobicContact CE2-CB 3.74Å; K288-A292 PolarHBondContact O-N 3.29Å; K288-A292 VanDerWaalsContact O-N 3.1Å; I289-A292 PolarHBondContact O-N 2.82Å; I289-A292 VanDerWaalsContact O-N 3.12Å; A292-S294 VanDerWaalsContact C-N 3.27Å; A292-S294 PolarHBondContact O-N 3.13Å; A292-F295 VanDerWaalsContact O-CB 3.23Å; A292-F295 WeakPolarHBondContact O-CB 3.19Å; A292-F295 PolarHBondContact O-N 3.04Å
293L92.2Very high92.7Very high14 Ų1456 Ų567%0.07329%0.288CS..Hα-helixtrans-63.5-33.9176.7-72169.8000112.1P211 I212 I215 Y266 I289 E290 F295 Y296 N297P211-L293 HydrophobicContact CB-CD2 3.49Å; P211-L293 VanDerWaalsContact CB-CD2 3.49Å; I212-L293 HydrophobicContact CB-CD2 4.44Å; I212-L293 HydrophobicContact CG1-CD1 4.25Å; I212-L293 HydrophobicContact CG1-CD2 3.74Å; I215-L293 HydrophobicContact CD1-CB 4.23Å; I215-L293 HydrophobicContact CD1-CD2 3.4Å; I215-L293 HydrophobicContact CD1-CG 3.44Å; I215-L293 VanDerWaalsContact CD1-CG 3.44Å; Y266-L293 HydrophobicContact CE2-CD1 3.97Å; Y266-L293 VanDerWaalsContact OH-CD1 3.25Å; Y266-L293 WeakPolarHBondContact OH-CD1 3.42Å; I289-L293 HydrophobicContact CG2-CD1 3.7Å; I289-L293 HydrophobicContact CG2-CG 4.16Å; I289-L293 VanDerWaalsContact O-CG 3.29Å; I289-L293 WeakPolarHBondContact O-CG 3.28Å; I289-L293 PolarHBondContact O-N 3.3Å; E290-L293 PolarHBondContact O-N 3.27Å; L293-F295 PolarHBondContact O-N 3.01Å; L293-F295 VanDerWaalsContact O-N 3.1Å; L293-Y296 PolarHBondContact O-N 3.18Å; L293-N297 PolarHBondContact O-N 2.73Å
294S92Very high93.1Very high57 Ų5756.3 Ų56.340%0.39929%0.29SS..Hα-helixtrans-59.7-21.8178.383.10000113.6R142 E290 N291 A292 N297R142-S294 PolarHBondContact NH2-O 3.09Å; E290-S294 PolarHBondContact O-N 2.96Å; N291-S294 WeakPolarHBondContact O-CB 3.4Å; N291-S294 PolarHBondContact O-N 2.82Å; N291-S294 PolarHBondContact O-OG 2.55Å; A292-S294 VanDerWaalsContact C-N 3.27Å; A292-S294 PolarHBondContact O-N 3.13Å; S294-N297 PolarHBondContact O-N 2.77Å
295F91.1Very high93.5Very high18 Ų1858.2 Ų58.28%0.07929%0.292CS..Hα-helixtrans-60.8-47.3176179.9-106.5000111.8D141 R142 F165 F221 A292 L293 N297 V298D141-F295 HydrophobicContact CB-CE2 4.48Å; D141-F295 HydrophobicContact CB-CZ 3.83Å; R142-F295 HydrophobicContact CG-CD2 3.96Å; R142-F295 HydrophobicContact CG-CE2 3.86Å; R142-F295 HydrophobicContact CG-CZ 4.48Å; R142-F295 PolarHBondContact NE-O 3.4Å; F165-F295 HydrophobicContact CE2-CE1 4.06Å; F165-F295 HydrophobicContact CE2-CZ 4.48Å; F165-F295 HydrophobicContact CZ-CD1 4.08Å; F165-F295 AromaticContact CZ-CE1 3.59Å; F165-F295 HydrophobicContact CZ-CE1 3.59Å; F165-F295 AromaticContact CZ-CZ 3.95Å; F165-F295 HydrophobicContact CZ-CZ 3.95Å; F221-F295 HydrophobicContact CE2-CB 3.8Å; F221-F295 AromaticContact CE2-CD1 3.99Å; F221-F295 HydrophobicContact CE2-CD1 3.99Å; F221-F295 HydrophobicContact CE2-CD2 4.14Å; F221-F295 AromaticContact CE2-CG 3.72Å; F221-F295 HydrophobicContact CE2-CG 3.72Å; F221-F295 HydrophobicContact CZ-CB 3.72Å; F221-F295 HydrophobicContact CZ-CD1 4.49Å; F221-F295 AromaticContact CZ-CD2 3.85Å; F221-F295 HydrophobicContact CZ-CD2 3.85Å; F221-F295 AromaticContact CZ-CG 3.78Å; F221-F295 HydrophobicContact CZ-CG 3.78Å; A292-F295 VanDerWaalsContact O-CB 3.23Å; A292-F295 WeakPolarHBondContact O-CB 3.19Å; A292-F295 PolarHBondContact O-N 3.04Å; L293-F295 PolarHBondContact O-N 3.01Å; L293-F295 VanDerWaalsContact O-N 3.1Å; F295-N297 VanDerWaalsContact C-N 3.33Å; F295-V298 WeakPolarHBondContact O-CG2 3.47Å
296Y93.1Very high93.9Very high5 Ų556.7 Ų56.72%0.0229%0.286CS..Hα-helixtrans-80.2-14.5179.4-57.5-77.2000113.1D161 V164 F165 P211 A214 N219 L293 V298D161-Y296 HydrophobicContact CB-CE1 4.14Å; D161-Y296 PolarHBondContact OD1-OH 3.49Å; V164-Y296 HydrophobicContact CB-CD1 4.11Å; V164-Y296 HydrophobicContact CB-CE1 3.99Å; V164-Y296 HydrophobicContact CG1-CD1 3.73Å; V164-Y296 HydrophobicContact CG1-CD2 4.48Å; V164-Y296 HydrophobicContact CG1-CE1 3.91Å; V164-Y296 HydrophobicContact CG1-CG 4.04Å; F165-Y296 HydrophobicContact CD1-CD1 4.23Å; F165-Y296 HydrophobicContact CD2-CD1 4.43Å; F165-Y296 HydrophobicContact CE1-CD1 4.16Å; F165-Y296 HydrophobicContact CE2-CD1 4.38Å; F165-Y296 HydrophobicContact CG-CD1 4.36Å; F165-Y296 HydrophobicContact CZ-CD1 4.25Å; P211-Y296 HydrophobicContact CB-CD2 3.92Å; P211-Y296 HydrophobicContact CB-CG 4.23Å; P211-Y296 HydrophobicContact CG-CG 4.42Å; A214-Y296 HydrophobicContact CB-CE1 4.48Å; A214-Y296 HydrophobicContact CB-CE2 3.74Å; A214-Y296 WeakPolarHBondContact CB-OH 3.5Å; N219-Y296 PolarHBondContact ND2-OH 2.88Å; N219-Y296 VanDerWaalsContact ND2-OH 3.12Å; L293-Y296 PolarHBondContact O-N 3.18Å; Y296-V298 PolarHBondContact O-N 2.94Å
297N92.4Very high94.1Very high112 Ų11257.6 Ų57.660%0.59929%0.291SS*.  trans-76.190.2172.9-170.37.6000110.2R142 L293 S294 F295R142-N297 PolarHBondContact NH2-O 3.1Å; L293-N297 PolarHBondContact O-N 2.73Å; S294-N297 PolarHBondContact O-N 2.77Å; F295-N297 VanDerWaalsContact C-N 3.33Å
298V94.3Very high94.3Very high18 Ų1854.8 Ų54.811%0.10929%0.287CS..  trans-119133.9-176179.20000110.3R142 A145 A146 I149 F165 F295 Y296R142-V298 HydrophobicContact CB-CG2 4.13Å; R142-V298 HydrophobicContact CG-CG2 4.14Å; A145-V298 HydrophobicContact CB-CB 4.49Å; A145-V298 HydrophobicContact CB-CG1 4.16Å; A145-V298 HydrophobicContact CB-CG2 4.49Å; A146-V298 HydrophobicContact CB-CG1 3.58Å; I149-V298 HydrophobicContact CD1-CG1 4.41Å; F165-V298 HydrophobicContact CD1-CG2 3.94Å; F165-V298 HydrophobicContact CE1-CG2 3.56Å; F295-V298 WeakPolarHBondContact O-CG2 3.47Å; Y296-V298 PolarHBondContact O-N 2.94Å
299K94.6Very high94.6Very high167 Ų16752.1 Ų52.173%0.72628%0.283SS*.  trans-99.5154172.6-64.3-178.9-179.6178.80109.8A146 L301A146-K299 VanDerWaalsContact CB-O 3.25Å; A146-K299 WeakPolarHBondContact CB-O 3.22Å; K299-L301 PolarHBondContact O-N 3.33Å
300A97.8Very high94.8Very high47 Ų4752.5 Ų52.539%0.38829%0.285SS..  trans-57.3129.6170.200000110.5I149I149-A300 HydrophobicContact CB-CB 4.32Å; I149-A300 HydrophobicContact CG2-CB 3.87Å
301L97.8Very high94.9Very high62 Ų6250.9 Ų50.933%0.32528%0.278SS..  trans-131.6134.1171.6-66.1173.4000108.9A146 Y150 K299A146-L301 HydrophobicContact CB-CB 3.98Å; A146-L301 HydrophobicContact CB-CD1 4.17Å; A146-L301 HydrophobicContact CB-CG 4.16Å; A146-L301 PolarHBondContact O-N 3.22Å; Y150-L301 VanDerWaalsContact CB-O 3.23Å; Y150-L301 WeakPolarHBondContact CB-O 3.21Å; K299-L301 PolarHBondContact O-N 3.33Å
302S98Very high95.2Very high11 Ų1149.3 Ų49.38%0.07728%0.275CS..  trans-63.4159.3171.564.70000111.1Y150 E304 E305 C306Y150-S302 VanDerWaalsContact CZ-CB 3.44Å; S302-E304 PolarHBondContact O-N 2.98Å; S302-E305 VanDerWaalsContact CB-OE2 3.3Å; S302-E305 WeakPolarHBondContact CB-OE2 3.36Å; S302-E305 PolarHBondContact N-OE2 2.9Å; S302-E305 PolarHBondContact O-N 3.13Å; S302-E305 WeakPolarHBondContact OG-CB 3.47Å; S302-E305 VanDerWaalsContact OG-CD 3.3Å; S302-E305 WeakPolarHBondContact OG-CG 3.37Å; S302-E305 PolarHBondContact OG-N 3.03Å; S302-E305 VanDerWaalsContact OG-N 3.15Å; S302-E305 PolarHBondContact OG-OE2 2.99Å; S302-C306 PolarHBondContact O-N 2.54Å; S302-C306 VanDerWaalsContact O-N 3.08Å; S302-C306 PolarHBondContact O-SG 2.77Å; S302-C306 VanDerWaalsContact O-SG 3.41Å
303V97.3Very high95.4Very high19 Ų1954 Ų5412%0.11530%0.298CS..Hα-helixtrans-62.1-36.8177-176.80000110.2L74 C306 K307L74-V303 HydrophobicContact CD1-CG1 4.26Å; L74-V303 HydrophobicContact CD2-CG2 3.73Å; V303-C306 PolarHBondContact O-N 3.38Å; V303-K307 HydrophobicContact CG1-CD 4.36Å; V303-K307 VanDerWaalsContact O-CG 3.3Å; V303-K307 WeakPolarHBondContact O-CG 3.5Å; V303-K307 PolarHBondContact O-N 3.42Å
304E97.7Very high95.4Very high121 Ų12153.4 Ų53.457%0.56529%0.294SS*.Hα-helixtrans-66-42.3177.8-70.861.5-135.900112.2S302 K307 G308S302-E304 PolarHBondContact O-N 2.98Å; E304-K307 PolarHBondContact O-N 2.8Å; E304-G308 PolarHBondContact O-N 3.31Å
305E98.1Very high95.6Very high101 Ų10154.3 Ų54.347%0.47229%0.294SS..Hα-helixtrans-62-46.3174.2-75.7165.6122.200111S302 K307 G308 C309S302-E305 VanDerWaalsContact CB-OE2 3.3Å; S302-E305 WeakPolarHBondContact CB-OE2 3.36Å; S302-E305 PolarHBondContact N-OE2 2.9Å; S302-E305 PolarHBondContact O-N 3.13Å; S302-E305 WeakPolarHBondContact OG-CB 3.47Å; S302-E305 VanDerWaalsContact OG-CD 3.3Å; S302-E305 WeakPolarHBondContact OG-CG 3.37Å; S302-E305 PolarHBondContact OG-N 3.03Å; S302-E305 VanDerWaalsContact OG-N 3.15Å; S302-E305 PolarHBondContact OG-OE2 2.99Å; E305-K307 PolarHBondContact O-N 3.19Å; E305-G308 WeakPolarHBondContact O-CA 3.29Å; E305-G308 PolarHBondContact O-N 2.99Å; E305-G308 VanDerWaalsContact O-N 3.13Å; E305-C309 PolarHBondContact O-N 2.98Å; E305-C309 PolarHBondContact O-SG 3.43Å; E305-C309 VanDerWaalsContact O-SG 3.38Å
306C97.6Very high95.7Very high5 Ų557.7 Ų57.73%0.03433%0.326CS..Hα-helixtrans-61.7-43.2177.2-67.30000112.2L134 T143 C147 S302 V303 G308 C309 T310L134-C306 HydrophobicContact CD1-CB 4.48Å; L134-C306 HydrophobicContact CD2-CB 3.68Å; T143-C306 HydrophobicContact CG2-CB 4.08Å; C147-C306 VanDerWaalsContact SG-SG 3.7Å; S302-C306 PolarHBondContact O-N 2.54Å; S302-C306 VanDerWaalsContact O-N 3.08Å; S302-C306 PolarHBondContact O-SG 2.77Å; S302-C306 VanDerWaalsContact O-SG 3.41Å; V303-C306 PolarHBondContact O-N 3.38Å; C306-G308 VanDerWaalsContact C-N 3.31Å; C306-G308 PolarHBondContact O-N 3.21Å; C306-C309 PolarHBondContact O-N 3.21Å; C306-T310 PolarHBondContact O-N 3.01Å; C306-T310 VanDerWaalsContact O-N 3.09Å; C306-T310 PolarHBondContact O-OG1 3.09Å
307K96.9Very high95.5Very high60 Ų6059.8 Ų59.826%0.26134%0.341SS..Hα-helixtrans-58.3-44.8172.4-74.6172.3-179.3165.50111.2L134 V303 E304 E305 C309 T310 I311L134-K307 HydrophobicContact CD1-CG 3.67Å; V303-K307 HydrophobicContact CG1-CD 4.36Å; V303-K307 VanDerWaalsContact O-CG 3.3Å; V303-K307 WeakPolarHBondContact O-CG 3.5Å; V303-K307 PolarHBondContact O-N 3.42Å; E304-K307 PolarHBondContact O-N 2.8Å; E305-K307 PolarHBondContact O-N 3.19Å; K307-C309 PolarHBondContact O-N 3.23Å; K307-T310 PolarHBondContact O-N 3.13Å; K307-I311 WeakPolarHBondContact O-CB 3.46Å; K307-I311 VanDerWaalsContact O-CG1 3.29Å; K307-I311 WeakPolarHBondContact O-CG1 3.46Å; K307-I311 PolarHBondContact O-N 3.33Å
308G97Very high95.5Very high32 Ų3256.6 Ų56.633%0.3333%0.334SS..Hα-helixtrans-56.8-46.7176.200000112.1E304 E305 C306 I311 S312E304-G308 PolarHBondContact O-N 3.31Å; E305-G308 WeakPolarHBondContact O-CA 3.29Å; E305-G308 PolarHBondContact O-N 2.99Å; E305-G308 VanDerWaalsContact O-N 3.13Å; C306-G308 VanDerWaalsContact C-N 3.31Å; C306-G308 PolarHBondContact O-N 3.21Å; G308-I311 PolarHBondContact O-N 2.93Å; G308-S312 WeakPolarHBondContact O-CB 3.33Å; G308-S312 PolarHBondContact O-N 3.41Å; G308-S312 PolarHBondContact O-OG 3.46Å; G308-S312 VanDerWaalsContact O-OG 3.1Å
309C95.4Very high95.4Very high66 Ų6656 Ų5645%0.44633%0.329SS..Hα-helixtrans-58.8-50.1176.2-68.20000112.3E305 C306 K307 I311 S312 Q313E305-C309 PolarHBondContact O-N 2.98Å; E305-C309 PolarHBondContact O-SG 3.43Å; E305-C309 VanDerWaalsContact O-SG 3.38Å; C306-C309 PolarHBondContact O-N 3.21Å; K307-C309 PolarHBondContact O-N 3.23Å; C309-I311 VanDerWaalsContact C-N 3.35Å; C309-I311 PolarHBondContact O-N 3.47Å; C309-S312 PolarHBondContact O-N 3.27Å; C309-Q313 VanDerWaalsContact O-CG 3.3Å; C309-Q313 WeakPolarHBondContact O-CG 3.48Å; C309-Q313 PolarHBondContact O-N 3.27Å
310T94.3Very high95.4Very high7 Ų749.5 Ų49.54%0.04330%0.304CS..Hα-helixtrans-57.7-48177.5-63.10000110.9V135 T137 C306 K307 Q313 L314 Y327 C328V135-T310 WeakPolarHBondContact O-CG2 3.49Å; V135-T310 PolarHBondContact O-OG1 3.08Å; V135-T310 VanDerWaalsContact O-OG1 3.13Å; T137-T310 HydrophobicContact CG2-CG2 3.89Å; C306-T310 PolarHBondContact O-N 3.01Å; C306-T310 VanDerWaalsContact O-N 3.09Å; C306-T310 PolarHBondContact O-OG1 3.09Å; K307-T310 PolarHBondContact O-N 3.13Å; T310-Q313 PolarHBondContact O-N 2.98Å; T310-L314 HydrophobicContact CG2-CD1 4.1Å; T310-L314 WeakPolarHBondContact O-CG 3.22Å; T310-L314 PolarHBondContact O-N 3.4Å; T310-L314 VanDerWaalsContact O-N 3.09Å; T310-Y327 HydrophobicContact CG2-CD1 4.05Å; T310-Y327 HydrophobicContact CG2-CE1 4.05Å; T310-C328 HydrophobicContact CG2-CB 3.82Å
311I96.1Very high95.3Very high36 Ų3653.2 Ų53.219%0.18531%0.312CS..Hα-helixtrans-61.6-49.8-179.1-72.1167.6000110.8K307 G308 C309 Q313 L314 L315 E325 C328K307-I311 WeakPolarHBondContact O-CB 3.46Å; K307-I311 VanDerWaalsContact O-CG1 3.29Å; K307-I311 WeakPolarHBondContact O-CG1 3.46Å; K307-I311 PolarHBondContact O-N 3.33Å; G308-I311 PolarHBondContact O-N 2.93Å; C309-I311 VanDerWaalsContact C-N 3.35Å; C309-I311 PolarHBondContact O-N 3.47Å; I311-Q313 VanDerWaalsContact C-N 3.31Å; I311-Q313 PolarHBondContact O-N 3.45Å; I311-L314 PolarHBondContact O-N 3.48Å; I311-L315 HydrophobicContact CG2-CD1 3.71Å; I311-L315 HydrophobicContact CG2-CG 4.19Å; I311-L315 WeakPolarHBondContact O-CB 3.44Å; I311-L315 VanDerWaalsContact O-CG 3.28Å; I311-L315 WeakPolarHBondContact O-CG 3.42Å; I311-L315 PolarHBondContact O-N 3.31Å; I311-E325 HydrophobicContact CD1-CG 4.22Å; I311-C328 HydrophobicContact CG1-CB 4.26Å
312S96.7Very high95.1Very high76 Ų7654.8 Ų54.853%0.53133%0.326SS..Hα-helixtrans-59.3-41.7-179.3-69.30000112.2G308 C309 A316G308-S312 WeakPolarHBondContact O-CB 3.33Å; G308-S312 PolarHBondContact O-N 3.41Å; G308-S312 PolarHBondContact O-OG 3.46Å; G308-S312 VanDerWaalsContact O-OG 3.1Å; C309-S312 PolarHBondContact O-N 3.27Å; S312-A316 WeakPolarHBondContact O-CB 3.47Å; S312-A316 PolarHBondContact O-N 3.44Å
313Q93.2Very high95Very high101 Ų10155.1 Ų55.147%0.47233%0.326SS..Hα-helixtrans-65.5-46178-71177.520.500111.9T137 C309 T310 I311 L315 A316 C317T137-Q313 HydrophobicContact CG2-CB 4.04Å; T137-Q313 PolarHBondContact OG1-OE1 2.99Å; C309-Q313 VanDerWaalsContact O-CG 3.3Å; C309-Q313 WeakPolarHBondContact O-CG 3.48Å; C309-Q313 PolarHBondContact O-N 3.27Å; T310-Q313 PolarHBondContact O-N 2.98Å; I311-Q313 VanDerWaalsContact C-N 3.31Å; I311-Q313 PolarHBondContact O-N 3.45Å; Q313-L315 PolarHBondContact O-N 3.36Å; Q313-A316 WeakPolarHBondContact O-CB 3.26Å; Q313-A316 PolarHBondContact O-N 2.9Å; Q313-C317 PolarHBondContact O-N 2.95Å; Q313-C317 PolarHBondContact O-SG 3.13Å
314L93Very high94.8Very high1 Ų154.2 Ų54.21%0.00532%0.32CS..Hα-helixtrans-66.6-38.4178.4-67.6173.9000112.5T137 T310 I311 A316 C317 G318 F319 T324 Y327T137-L314 HydrophobicContact CG2-CD1 4.36Å; T137-L314 HydrophobicContact CG2-CD2 3.9Å; T137-L314 HydrophobicContact CG2-CG 3.73Å; T310-L314 HydrophobicContact CG2-CD1 4.1Å; T310-L314 WeakPolarHBondContact O-CG 3.22Å; T310-L314 PolarHBondContact O-N 3.4Å; T310-L314 VanDerWaalsContact O-N 3.09Å; I311-L314 PolarHBondContact O-N 3.48Å; L314-A316 VanDerWaalsContact C-N 3.3Å; L314-A316 PolarHBondContact O-N 3.13Å; L314-C317 CarbonylContact O-C 3.57Å; L314-C317 WeakPolarHBondContact O-CA 3.5Å; L314-C317 WeakPolarHBondContact O-CB 3.42Å; L314-C317 PolarHBondContact O-N 3.16Å; L314-G318 PolarHBondContact O-N 2.88Å; L314-F319 HydrophobicContact CB-CB 4.36Å; L314-F319 HydrophobicContact CB-CD2 4.03Å; L314-F319 HydrophobicContact CD2-CD2 3.86Å; L314-F319 HydrophobicContact CD2-CE2 3.91Å; L314-F319 WeakPolarHBondContact O-CD2 3.3Å; L314-F319 PolarHBondContact O-N 3.2Å; L314-T324 HydrophobicContact CB-CG2 3.4Å; L314-T324 HydrophobicContact CD1-CG2 4.23Å; L314-T324 HydrophobicContact CG-CG2 4.48Å; L314-Y327 HydrophobicContact CD1-CD1 3.38Å; L314-Y327 HydrophobicContact CD1-CE1 3.88Å; L314-Y327 HydrophobicContact CD1-CG 3.92Å
315L95.3Very high94.7Very high75 Ų7552.5 Ų52.539%0.39331%0.312SS..Hα-helixtrans-60-42.3174-73.8174.7000111.2I311 Q313 C317 G318 F319 K321 T324I311-L315 HydrophobicContact CG2-CD1 3.71Å; I311-L315 HydrophobicContact CG2-CG 4.19Å; I311-L315 WeakPolarHBondContact O-CB 3.44Å; I311-L315 VanDerWaalsContact O-CG 3.28Å; I311-L315 WeakPolarHBondContact O-CG 3.42Å; I311-L315 PolarHBondContact O-N 3.31Å; Q313-L315 PolarHBondContact O-N 3.36Å; L315-C317 PolarHBondContact O-N 3.37Å; L315-G318 PolarHBondContact O-N 2.7Å; L315-F319 WeakPolarHBondContact CD2-O 3.48Å; L315-K321 HydrophobicContact CD2-CB 4.13Å; L315-T324 HydrophobicContact CD2-CG2 4.13Å; L315-T324 HydrophobicContact CG-CG2 4.23Å
316A93Very high94.5Very high90 Ų9048.8 Ų48.874%0.74430%0.299SS*.Hα-helixtrans-61.3-25.7175.800000112.7S312 Q313 L314 G318S312-A316 WeakPolarHBondContact O-CB 3.47Å; S312-A316 PolarHBondContact O-N 3.44Å; Q313-A316 WeakPolarHBondContact O-CB 3.26Å; Q313-A316 PolarHBondContact O-N 2.9Å; L314-A316 VanDerWaalsContact C-N 3.3Å; L314-A316 PolarHBondContact O-N 3.13Å; A316-G318 VanDerWaalsContact C-N 3.31Å
317C89.9Confident94.4Very high49 Ų4948.6 Ų48.633%0.33130%0.298SS..THydrogen-bonded Turntrans-87.55.1175.8-58.10000114.2Q313 L314 L315 F319 L343Q313-C317 PolarHBondContact O-N 2.95Å; Q313-C317 PolarHBondContact O-SG 3.13Å; L314-C317 CarbonylContact O-C 3.57Å; L314-C317 WeakPolarHBondContact O-CA 3.5Å; L314-C317 WeakPolarHBondContact O-CB 3.42Å; L314-C317 PolarHBondContact O-N 3.16Å; L315-C317 PolarHBondContact O-N 3.37Å; C317-F319 HydrophobicContact CB-CD2 4.01Å; C317-F319 HydrophobicContact CB-CE2 4.08Å; C317-L343 HydrophobicContact CB-CD2 3.4Å; C317-L343 VanDerWaalsContact CB-CD2 3.4Å; C317-L343 WeakPolarHBondContact SG-CD2 3.05Å
318G91.4Very high94.3Very high44 Ų4445.9 Ų45.945%0.45429%0.286SS..THydrogen-bonded Turntrans83.317.8175.200000114.8L314 L315 A316L314-G318 PolarHBondContact O-N 2.88Å; L315-G318 PolarHBondContact O-N 2.7Å; A316-G318 VanDerWaalsContact C-N 3.31Å
319F93.6Very high94.1Very high5 Ų546.7 Ų46.72%0.02229%0.285CS..  trans-74.8139170.3-70.7-80000110.9L314 L315 C317 F323 T324 T339 R342 L343 M376 M409L314-F319 HydrophobicContact CB-CB 4.36Å; L314-F319 HydrophobicContact CB-CD2 4.03Å; L314-F319 HydrophobicContact CD2-CD2 3.86Å; L314-F319 HydrophobicContact CD2-CE2 3.91Å; L314-F319 WeakPolarHBondContact O-CD2 3.3Å; L314-F319 PolarHBondContact O-N 3.2Å; L315-F319 WeakPolarHBondContact CD2-O 3.48Å; C317-F319 HydrophobicContact CB-CD2 4.01Å; C317-F319 HydrophobicContact CB-CE2 4.08Å; F319-F323 HydrophobicContact CB-CD1 3.95Å; F319-F323 AromaticContact CD1-CD1 3.58Å; F319-F323 HydrophobicContact CD1-CD1 3.58Å; F319-F323 AromaticContact CD1-CE1 3.45Å; F319-F323 HydrophobicContact CD1-CE1 3.45Å; F319-F323 VanDerWaalsContact CD1-CE1 3.45Å; F319-F323 HydrophobicContact CD1-CG 4.27Å; F319-F323 HydrophobicContact CD1-CZ 4.03Å; F319-F323 HydrophobicContact CE1-CD1 4.37Å; F319-F323 AromaticContact CE1-CE1 3.79Å; F319-F323 HydrophobicContact CE1-CE1 3.79Å; F319-F323 HydrophobicContact CE1-CZ 4.04Å; F319-F323 AromaticContact CG-CD1 3.98Å; F319-F323 HydrophobicContact CG-CD1 3.98Å; F319-F323 HydrophobicContact CG-CE1 4.06Å; F319-T324 HydrophobicContact CB-CG2 3.59Å; F319-T339 HydrophobicContact CE1-CG2 3.99Å; F319-T339 HydrophobicContact CE2-CG2 4.48Å; F319-T339 HydrophobicContact CZ-CG2 3.83Å; F319-R342 HydrophobicContact CE1-CB 4.19Å; F319-R342 HydrophobicContact CE1-CG 4.27Å; F319-R342 HydrophobicContact CE2-CB 4.13Å; F319-R342 HydrophobicContact CE2-CG 3.89Å; F319-R342 HydrophobicContact CZ-CB 3.45Å; F319-R342 VanDerWaalsContact CZ-CB 3.45Å; F319-R342 HydrophobicContact CZ-CG 3.59Å; F319-L343 HydrophobicContact CE2-CD2 4.41Å; F319-M376 HydrophobicContact CE1-SD 4.16Å; F319-M409 HydrophobicContact CD1-CE 3.76Å; F319-M409 HydrophobicContact CD1-SD 3.84Å; F319-M409 HydrophobicContact CE1-CE 3.99Å; F319-M409 HydrophobicContact CE1-SD 4.07Å
320P94.5Very high94Very high31 Ų3144.1 Ų44.120%0.20127%0.27CS..  trans-63.3146.3174.5-22.133.3000112.4F323 T324 M409P320-F323 WeakPolarHBondContact O-CA 3.43Å; P320-F323 VanDerWaalsContact O-CB 3.26Å; P320-F323 WeakPolarHBondContact O-CB 3.41Å; P320-F323 PolarHBondContact O-N 3.1Å; P320-T324 PolarHBondContact O-N 3.37Å; P320-T324 VanDerWaalsContact O-N 3.16Å; P320-M409 HydrophobicContact CG-CB 3.79Å
321K94.8Very high93.9Very high126 Ų12650.1 Ų50.155%0.54830%0.296SS..Hα-helixtrans-52.6-45.8-179.1179.3177.9174.7-1800114.9L315 F323 T324 E325L315-K321 HydrophobicContact CD2-CB 4.13Å; K321-F323 PolarHBondContact O-N 3.36Å; K321-T324 PolarHBondContact O-N 3.23Å; K321-T324 VanDerWaalsContact O-N 3.13Å; K321-T324 PolarHBondContact O-OG1 3.01Å; K321-E325 WeakPolarHBondContact CE-OE1 3.49Å; K321-E325 HydrophobicContact CG-CG 4.35Å; K321-E325 IonicContact NZ-OE1 3.35Å; K321-E325 WeakPolarHBondContact O-CG 3.46Å; K321-E325 PolarHBondContact O-N 3.37Å; K321-E325 VanDerWaalsContact O-N 3.1Å
322P93.8Very high93.7Very high95 Ų9549.6 Ų49.662%0.61729%0.293SS*.Hα-helixtrans-60.4-32.1177.5-24.735.3000113.2A326P322-A326 WeakPolarHBondContact O-CB 3.1Å; P322-A326 PolarHBondContact O-N 3Å
323F94.7Very high93.2Very high17 Ų1747 Ų478%0.07527%0.272CS..Hα-helixtrans-67.8-47175.6178.9-81000110.8F319 P320 K321 E325 A326 Y327 L332 L335 T339 M376F319-F323 HydrophobicContact CB-CD1 3.95Å; F319-F323 AromaticContact CD1-CD1 3.58Å; F319-F323 HydrophobicContact CD1-CD1 3.58Å; F319-F323 AromaticContact CD1-CE1 3.45Å; F319-F323 HydrophobicContact CD1-CE1 3.45Å; F319-F323 VanDerWaalsContact CD1-CE1 3.45Å; F319-F323 HydrophobicContact CD1-CG 4.27Å; F319-F323 HydrophobicContact CD1-CZ 4.03Å; F319-F323 HydrophobicContact CE1-CD1 4.37Å; F319-F323 AromaticContact CE1-CE1 3.79Å; F319-F323 HydrophobicContact CE1-CE1 3.79Å; F319-F323 HydrophobicContact CE1-CZ 4.04Å; F319-F323 AromaticContact CG-CD1 3.98Å; F319-F323 HydrophobicContact CG-CD1 3.98Å; F319-F323 HydrophobicContact CG-CE1 4.06Å; P320-F323 WeakPolarHBondContact O-CA 3.43Å; P320-F323 VanDerWaalsContact O-CB 3.26Å; P320-F323 WeakPolarHBondContact O-CB 3.41Å; P320-F323 PolarHBondContact O-N 3.1Å; K321-F323 PolarHBondContact O-N 3.36Å; F323-E325 PolarHBondContact O-N 2.86Å; F323-A326 PolarHBondContact O-N 3.39Å; F323-Y327 HydrophobicContact CE1-CD2 4.48Å; F323-Y327 WeakPolarHBondContact O-CB 3.47Å; F323-Y327 PolarHBondContact O-N 3.28Å; F323-L332 HydrophobicContact CD2-CD1 3.72Å; F323-L332 HydrophobicContact CE2-CD1 4.08Å; F323-L332 HydrophobicContact CG-CD1 4.22Å; F323-L335 HydrophobicContact CE2-CB 4.32Å; F323-L335 HydrophobicContact CE2-CD1 3.7Å; F323-L335 HydrophobicContact CZ-CB 4.26Å; F323-L335 HydrophobicContact CZ-CD1 4.45Å; F323-T339 HydrophobicContact CE1-CG2 3.58Å; F323-T339 HydrophobicContact CZ-CG2 3.57Å; F323-M376 HydrophobicContact CE2-CE 4.2Å; F323-M376 HydrophobicContact CZ-CE 4.36Å
324T94.9Very high93Very high0 Ų043.5 Ų43.50%025%0.254CS..Hα-helixtrans-67-36.9-175.864.30000112.5L314 L315 F319 P320 K321 C328L314-T324 HydrophobicContact CB-CG2 3.4Å; L314-T324 HydrophobicContact CD1-CG2 4.23Å; L314-T324 HydrophobicContact CG-CG2 4.48Å; L315-T324 HydrophobicContact CD2-CG2 4.13Å; L315-T324 HydrophobicContact CG-CG2 4.23Å; F319-T324 HydrophobicContact CB-CG2 3.59Å; P320-T324 PolarHBondContact O-N 3.37Å; P320-T324 VanDerWaalsContact O-N 3.16Å; K321-T324 PolarHBondContact O-N 3.23Å; K321-T324 VanDerWaalsContact O-N 3.13Å; K321-T324 PolarHBondContact O-OG1 3.01Å; T324-C328 WeakPolarHBondContact O-CB 3.34Å; T324-C328 PolarHBondContact O-N 3.4Å
325E94.9Very high92.9Very high85 Ų8543.5 Ų43.540%0.39725%0.254SS..Hα-helixtrans-68.5-40.5175.5-68.9174.4157.600112.6I311 K321 F323 C328 T329I311-E325 HydrophobicContact CD1-CG 4.22Å; K321-E325 WeakPolarHBondContact CE-OE1 3.49Å; K321-E325 HydrophobicContact CG-CG 4.35Å; K321-E325 IonicContact NZ-OE1 3.35Å; K321-E325 WeakPolarHBondContact O-CG 3.46Å; K321-E325 PolarHBondContact O-N 3.37Å; K321-E325 VanDerWaalsContact O-N 3.1Å; F323-E325 PolarHBondContact O-N 2.86Å; E325-C328 PolarHBondContact O-SG 3.12Å; E325-T329 PolarHBondContact O-OG1 3.35Å
326A94.6Very high92.6Very high24 Ų2440.3 Ų40.320%0.19824%0.238CC..Hα-helixtrans-73.7-33.5176.500000112.1P322 F323 T329 K331 L332P322-A326 WeakPolarHBondContact O-CB 3.1Å; P322-A326 PolarHBondContact O-N 3Å; F323-A326 PolarHBondContact O-N 3.39Å; A326-T329 PolarHBondContact O-OG1 2.93Å; A326-K331 HydrophobicContact CB-CB 4.27Å; A326-K331 WeakPolarHBondContact O-CB 3.24Å; A326-K331 PolarHBondContact O-N 2.97Å; A326-L332 HydrophobicContact CB-CD1 3.68Å; A326-L332 HydrophobicContact CB-CG 3.74Å; A326-L332 PolarHBondContact O-N 3.09Å
327Y94.5Very high92.3Very high0 Ų039.8 Ų39.80%022%0.223CC..Hα-helixtrans-63.6-52.7174.5176.7-89.1000111.7G79 P80 V135 C136 T310 L314 F323 T329 G330 T339G79-Y327 WeakPolarHBondContact CA-OH 3.3Å; P80-Y327 WeakPolarHBondContact CD-OH 3.28Å; V135-Y327 HydrophobicContact CB-CD1 4.43Å; V135-Y327 HydrophobicContact CB-CE1 4.04Å; V135-Y327 WeakPolarHBondContact CB-O 3.31Å; V135-Y327 HydrophobicContact CG1-CD1 4.29Å; V135-Y327 HydrophobicContact CG1-CE1 3.52Å; V135-Y327 HydrophobicContact CG1-CE2 4.16Å; V135-Y327 VanDerWaalsContact CG1-CZ 3.44Å; V135-Y327 WeakPolarHBondContact CG1-OH 3.42Å; V135-Y327 VanDerWaalsContact CG2-O 3.29Å; V135-Y327 WeakPolarHBondContact CG2-O 3.28Å; C136-Y327 WeakPolarHBondContact O-CE1 3.44Å; C136-Y327 PolarHBondContact O-OH 2.99Å; T310-Y327 HydrophobicContact CG2-CD1 4.05Å; T310-Y327 HydrophobicContact CG2-CE1 4.05Å; L314-Y327 HydrophobicContact CD1-CD1 3.38Å; L314-Y327 HydrophobicContact CD1-CE1 3.88Å; L314-Y327 HydrophobicContact CD1-CG 3.92Å; F323-Y327 HydrophobicContact CE1-CD2 4.48Å; F323-Y327 WeakPolarHBondContact O-CB 3.47Å; F323-Y327 PolarHBondContact O-N 3.28Å; Y327-T329 PolarHBondContact O-N 3.24Å; Y327-T329 VanDerWaalsContact O-N 3.08Å; Y327-G330 PolarHBondContact O-N 3.11Å; Y327-T339 HydrophobicContact CD2-CG2 4.12Å; Y327-T339 HydrophobicContact CE2-CG2 4.01Å
328C94.7Very high92.3Very high3 Ų338 Ų382%0.0221%0.21CC..Hα-helixtrans-65.1-19.3-172.973.10000113.6L134 V135 T310 I311 T324 E325L134-C328 WeakPolarHBondContact CA-O 3.33Å; V135-C328 PolarHBondContact N-O 2.87Å; T310-C328 HydrophobicContact CG2-CB 3.82Å; I311-C328 HydrophobicContact CG1-CB 4.26Å; T324-C328 WeakPolarHBondContact O-CB 3.34Å; T324-C328 PolarHBondContact O-N 3.4Å; E325-C328 PolarHBondContact O-SG 3.12Å
329T93.7Very high92Very high49 Ų4935.9 Ų35.930%0.30119%0.188SC..THydrogen-bonded Turntrans-98.67.2177.7540000113.6E325 A326 Y327 K331E325-T329 PolarHBondContact O-OG1 3.35Å; A326-T329 PolarHBondContact O-OG1 2.93Å; Y327-T329 PolarHBondContact O-N 3.24Å; Y327-T329 VanDerWaalsContact O-N 3.08Å; T329-K331 VanDerWaalsContact C-N 3.31Å; T329-K331 PolarHBondContact O-N 2.87Å
330G92.9Very high91.7Very high13 Ų1336 Ų3613%0.13419%0.188CC..THydrogen-bonded Turntrans86.3-12.9176.600000115.6Y327 L332 Y333Y327-G330 PolarHBondContact O-N 3.11Å; G330-L332 PolarHBondContact O-N 3.36Å; G330-Y333 WeakPolarHBondContact O-CB 3.37Å; G330-Y333 PolarHBondContact O-N 3.13Å
331K92Very high91.6Very high133 Ų13334.5 Ų34.558%0.57818%0.178SC*.THydrogen-bonded Turntrans-62-30.1-177.5-64.3-177.6176.3-1790113.5A326 T329A326-K331 HydrophobicContact CB-CB 4.27Å; A326-K331 WeakPolarHBondContact O-CB 3.24Å; A326-K331 PolarHBondContact O-N 2.97Å; T329-K331 VanDerWaalsContact C-N 3.31Å; T329-K331 PolarHBondContact O-N 2.87Å
332L91.8Very high91.5Very high24 Ų2430.2 Ų30.213%0.12616%0.159CC..THydrogen-bonded Turntrans-11323.8174.4-64-179.3000112.6F323 A326 G330 R334 L335 D529F323-L332 HydrophobicContact CD2-CD1 3.72Å; F323-L332 HydrophobicContact CE2-CD1 4.08Å; F323-L332 HydrophobicContact CG-CD1 4.22Å; A326-L332 HydrophobicContact CB-CD1 3.68Å; A326-L332 HydrophobicContact CB-CG 3.74Å; A326-L332 PolarHBondContact O-N 3.09Å; G330-L332 PolarHBondContact O-N 3.36Å; L332-R334 PolarHBondContact O-N 3Å; L332-R334 VanDerWaalsContact O-N 3.17Å; L332-L335 HydrophobicContact CB-CD1 4.36Å; L332-L335 HydrophobicContact CD1-CD1 4.46Å; L332-L335 HydrophobicContact CD2-CD1 4.15Å; L332-L335 WeakPolarHBondContact O-CB 3.34Å; L332-L335 PolarHBondContact O-N 3.36Å; L332-D529 HydrophobicContact CD2-CB 4Å
333Y86.5Confident91.2Very high23 Ų2329.1 Ų29.19%0.0915%0.147CC..G310 helixtrans-59.3-31-177.7-176.3-79.5000112.8F77 D78 F119 L123 V135 G330 L335 S336F77-Y333 HydrophobicContact CB-CD2 4.02Å; F77-Y333 HydrophobicContact CB-CE2 3.39Å; F77-Y333 HydrophobicContact CD1-CE2 4.21Å; F77-Y333 HydrophobicContact CG-CD2 4.35Å; F77-Y333 HydrophobicContact CG-CE2 4Å; D78-Y333 VanDerWaalsContact O-CE2 3.23Å; D78-Y333 WeakPolarHBondContact O-CE2 3.46Å; D78-Y333 PolarHBondContact O-OH 2.93Å; F119-Y333 AromaticContact CD1-CD1 3.99Å; F119-Y333 HydrophobicContact CD1-CD1 3.99Å; F119-Y333 AromaticContact CD1-CE1 3.64Å; F119-Y333 HydrophobicContact CD1-CE1 3.64Å; F119-Y333 AromaticContact CE1-CD1 3.63Å; F119-Y333 HydrophobicContact CE1-CD1 3.63Å; F119-Y333 AromaticContact CE1-CE1 3.09Å; F119-Y333 HydrophobicContact CE1-CE1 3.09Å; F119-Y333 AromaticContact CE1-CZ 3.7Å; F119-Y333 HydrophobicContact CZ-CE1 4.01Å; L123-Y333 HydrophobicContact CD1-CD1 3.27Å; L123-Y333 HydrophobicContact CD1-CE1 4.15Å; L123-Y333 HydrophobicContact CD1-CG 3.77Å; L123-Y333 HydrophobicContact CD2-CD1 4.15Å; L123-Y333 HydrophobicContact CD2-CG 3.97Å; L123-Y333 HydrophobicContact CG-CD1 4.3Å; V135-Y333 HydrophobicContact CB-CD2 4.2Å; V135-Y333 HydrophobicContact CG1-CD2 3.46Å; V135-Y333 VanDerWaalsContact CG1-CD2 3.46Å; V135-Y333 HydrophobicContact CG1-CE2 3.65Å; V135-Y333 HydrophobicContact CG2-CD2 3.62Å; V135-Y333 HydrophobicContact CG2-CE2 4.38Å; G330-Y333 WeakPolarHBondContact O-CB 3.37Å; G330-Y333 PolarHBondContact O-N 3.13Å; Y333-L335 PolarHBondContact O-N 3.47Å; Y333-S336 WeakPolarHBondContact O-CB 3.37Å; Y333-S336 PolarHBondContact O-N 3.28Å; Y333-S336 PolarHBondContact O-OG 3.28Å
334R88.9Confident90.9Very high27 Ų2728.5 Ų28.510%0.10215%0.146CC..G310 helixtrans-50.3-29.5171.9-169.9-163.7-61.4-82.6-3.9112.6D120 L332 D522 C526 D529 E537D120-R334 IonicContact OD1-CZ 3.39Å; D120-R334 IonicContact OD1-NH1 3.73Å; D120-R334 PolarHBondContact OD1-NH1 3.37Å; D120-R334 IonicContact OD2-CZ 3.16Å; D120-R334 IonicContact OD2-NH1 2.74Å; D120-R334 PolarHBondContact OD2-NH1 2.86Å; L332-R334 PolarHBondContact O-N 3Å; L332-R334 VanDerWaalsContact O-N 3.17Å; R334-D522 IonicContact NH1-OD1 2.85Å; R334-C526 VanDerWaalsContact CG-SG 3.58Å; R334-D529 WeakPolarHBondContact CD-OD2 3.25Å; R334-D529 IonicContact NE-OD2 2.81Å; R334-D529 PolarHBondContact NE-OD2 3.31Å; R334-D529 VanDerWaalsContact NE-OD2 3.16Å; R334-E537 IonicContact NH2-OE1 3.11Å; R334-E537 PolarHBondContact NH2-OE1 3.18Å
335L91.3Very high90.8Very high0 Ų030.6 Ų30.60%016%0.156CC..G310 helixtrans-87.54.2177.8-60.7178.5000114.2F323 L332 Y333 N337 M338 T339 C526 D529 L530F323-L335 HydrophobicContact CE2-CB 4.32Å; F323-L335 HydrophobicContact CE2-CD1 3.7Å; F323-L335 HydrophobicContact CZ-CB 4.26Å; F323-L335 HydrophobicContact CZ-CD1 4.45Å; L332-L335 HydrophobicContact CB-CD1 4.36Å; L332-L335 HydrophobicContact CD1-CD1 4.46Å; L332-L335 HydrophobicContact CD2-CD1 4.15Å; L332-L335 WeakPolarHBondContact O-CB 3.34Å; L332-L335 PolarHBondContact O-N 3.36Å; Y333-L335 PolarHBondContact O-N 3.47Å; L335-N337 VanDerWaalsContact C-N 3.34Å; L335-N337 PolarHBondContact O-N 3.21Å; L335-M338 HydrophobicContact CB-CB 4.43Å; L335-M338 HydrophobicContact CD2-CB 4.31Å; L335-M338 HydrophobicContact CD2-CG 4.04Å; L335-M338 CarbonylContact O-C 3.51Å; L335-M338 WeakPolarHBondContact O-CA 3.4Å; L335-M338 WeakPolarHBondContact O-CB 3.21Å; L335-M338 PolarHBondContact O-N 2.78Å; L335-T339 PolarHBondContact O-N 2.94Å; L335-C526 HydrophobicContact CD2-CB 3.9Å; L335-C526 WeakPolarHBondContact CD2-O 3.45Å; L335-D529 HydrophobicContact CD1-CB 4.07Å; L335-D529 HydrophobicContact CG-CB 4.41Å; L335-L530 HydrophobicContact CD1-CB 4.36Å
336S88.9Confident90.7Very high8 Ų826.6 Ų26.66%0.05614%0.137CC..Hα-helixtrans-57.2-42.3176.655.70000113.3Y333 M338 T339 Y340Y333-S336 WeakPolarHBondContact O-CB 3.37Å; Y333-S336 PolarHBondContact O-N 3.28Å; Y333-S336 PolarHBondContact O-OG 3.28Å; S336-M338 PolarHBondContact O-N 3.03Å; S336-T339 PolarHBondContact O-N 2.94Å; S336-T339 PolarHBondContact O-OG1 3.05Å; S336-Y340 PolarHBondContact O-N 2.85Å
337N86.8Confident90.6Very high80 Ų8025.6 Ų25.643%0.42813%0.129SC..Hα-helixtrans-66.4-26.7172.8-73-28.3000112.4L335 Y340 V341 L347L335-N337 VanDerWaalsContact C-N 3.34Å; L335-N337 PolarHBondContact O-N 3.21Å; N337-Y340 WeakPolarHBondContact O-CB 3.48Å; N337-Y340 PolarHBondContact O-N 3.44Å; N337-V341 PolarHBondContact O-N 3.22Å; N337-L347 HydrophobicContact CB-CD1 3.75Å
338M88.7Confident90.5Very high11 Ų1126.3 Ų26.35%0.05413%0.132CC..Hα-helixtrans-81.4-27.6177.4-57.1-57.9152.100112.2L335 S336 Y340 V341 R342 L347 I372 Y373 M376L335-M338 HydrophobicContact CB-CB 4.43Å; L335-M338 HydrophobicContact CD2-CB 4.31Å; L335-M338 HydrophobicContact CD2-CG 4.04Å; L335-M338 CarbonylContact O-C 3.51Å; L335-M338 WeakPolarHBondContact O-CA 3.4Å; L335-M338 WeakPolarHBondContact O-CB 3.21Å; L335-M338 PolarHBondContact O-N 2.78Å; S336-M338 PolarHBondContact O-N 3.03Å; M338-Y340 VanDerWaalsContact C-N 3.27Å; M338-V341 WeakPolarHBondContact O-CB 3.03Å; M338-V341 PolarHBondContact O-N 3.01Å; M338-V341 HydrophobicContact SD-CG2 4.34Å; M338-R342 PolarHBondContact O-N 2.95Å; M338-L347 HydrophobicContact CE-CD1 4.37Å; M338-L347 HydrophobicContact CE-CD2 4.3Å; M338-I372 HydrophobicContact CB-CG2 4.4Å; M338-I372 HydrophobicContact CG-CG2 3.89Å; M338-I372 HydrophobicContact SD-CG2 3.54Å; M338-I372 VanDerWaalsContact SD-CG2 3.54Å; M338-Y373 HydrophobicContact SD-CE1 4.29Å; M338-M376 HydrophobicContact CB-CE 3.48Å; M338-M376 VanDerWaalsContact CB-CE 3.48Å; M338-M376 HydrophobicContact CB-CG 4.23Å; M338-M376 HydrophobicContact CB-SD 4.41Å
339T86.9Confident90.5Very high0 Ų026.6 Ų26.60%013%0.133CC..Hα-helixtrans-64.6-37.7168.461.50000110.3P80 F319 F323 Y327 L335 S336 V341 R342 L343P80-T339 WeakPolarHBondContact CG-OG1 3.34Å; F319-T339 HydrophobicContact CE1-CG2 3.99Å; F319-T339 HydrophobicContact CE2-CG2 4.48Å; F319-T339 HydrophobicContact CZ-CG2 3.83Å; F323-T339 HydrophobicContact CE1-CG2 3.58Å; F323-T339 HydrophobicContact CZ-CG2 3.57Å; Y327-T339 HydrophobicContact CD2-CG2 4.12Å; Y327-T339 HydrophobicContact CE2-CG2 4.01Å; L335-T339 PolarHBondContact O-N 2.94Å; S336-T339 PolarHBondContact O-N 2.94Å; S336-T339 PolarHBondContact O-OG1 3.05Å; T339-V341 VanDerWaalsContact C-N 3.31Å; T339-V341 PolarHBondContact O-N 3.07Å; T339-R342 WeakPolarHBondContact O-CB 3.33Å; T339-R342 PolarHBondContact O-N 3.04Å; T339-R342 VanDerWaalsContact O-N 3.14Å; T339-L343 VanDerWaalsContact O-CG 3.31Å; T339-L343 WeakPolarHBondContact O-CG 2.9Å; T339-L343 PolarHBondContact O-N 3.11Å; T339-L343 VanDerWaalsContact O-N 3.12Å
340Y86.9Confident90.5Very high6 Ų626.7 Ų26.72%0.02414%0.135CC..Hα-helixtrans-60.2-39.2172.2-172.9-141000113.1P80 M81 K83 S336 N337 M338 R342 L343 G344 T346 F348P80-Y340 VanDerWaalsContact CB-CB 3.49Å; P80-Y340 HydrophobicContact CB-CD2 4.27Å; P80-Y340 HydrophobicContact CB-CG 4.18Å; M81-Y340 WeakPolarHBondContact O-CD2 3.41Å; M81-Y340 WeakPolarHBondContact O-CE2 2.77Å; K83-Y340 WeakPolarHBondContact CA-OH 3.4Å; K83-Y340 HydrophobicContact CB-CE2 4.14Å; K83-Y340 WeakPolarHBondContact CB-OH 3.33Å; K83-Y340 PolarHBondContact N-OH 3.28Å; S336-Y340 PolarHBondContact O-N 2.85Å; N337-Y340 WeakPolarHBondContact O-CB 3.48Å; N337-Y340 PolarHBondContact O-N 3.44Å; M338-Y340 VanDerWaalsContact C-N 3.27Å; Y340-R342 VanDerWaalsContact C-N 3.31Å; Y340-R342 PolarHBondContact O-N 3.03Å; Y340-L343 PolarHBondContact O-N 3.15Å; Y340-L343 VanDerWaalsContact O-N 3.16Å; Y340-G344 PolarHBondContact O-N 3.4Å; Y340-T346 WeakPolarHBondContact CD1-O 3.33Å; Y340-T346 HydrophobicContact CE1-CG2 3.72Å; Y340-T346 WeakPolarHBondContact CE1-O 3.31Å; Y340-F348 HydrophobicContact CD1-CD2 4.48Å; Y340-F348 AromaticContact CE1-CD2 3.84Å; Y340-F348 HydrophobicContact CE1-CD2 3.84Å; Y340-F348 AromaticContact CE1-CE2 3.61Å; Y340-F348 HydrophobicContact CE1-CE2 3.61Å
341V92Very high90.5Very high0 Ų026.7 Ų26.70%013%0.131CC..Hα-helixtrans-58.4-43.4174.6171.70000111.2N337 M338 T339 L343 Q345 L347 Y373 L377 V385N337-V341 PolarHBondContact O-N 3.22Å; M338-V341 WeakPolarHBondContact O-CB 3.03Å; M338-V341 PolarHBondContact O-N 3.01Å; M338-V341 HydrophobicContact SD-CG2 4.34Å; T339-V341 VanDerWaalsContact C-N 3.31Å; T339-V341 PolarHBondContact O-N 3.07Å; V341-L343 VanDerWaalsContact C-N 3.35Å; V341-L343 PolarHBondContact O-N 3.31Å; V341-Q345 WeakPolarHBondContact O-CA 3.41Å; V341-Q345 PolarHBondContact O-N 2.95Å; V341-L347 HydrophobicContact CG2-CB 3.99Å; V341-L347 HydrophobicContact CG2-CD1 4.41Å; V341-Y373 HydrophobicContact CG1-CD1 3.83Å; V341-Y373 HydrophobicContact CG1-CE1 4.31Å; V341-Y373 HydrophobicContact CG1-CG 4.48Å; V341-Y373 HydrophobicContact CG2-CD1 4.3Å; V341-Y373 HydrophobicContact CG2-CE1 3.99Å; V341-L377 HydrophobicContact CG1-CD1 4.47Å; V341-L377 HydrophobicContact CG1-CD2 4.48Å; V341-L377 HydrophobicContact CG1-CG 4.38Å; V341-V385 HydrophobicContact CG1-CG1 4.17Å; V341-V385 HydrophobicContact CG1-CG2 3.57Å; V341-V385 HydrophobicContact CG2-CG1 4.21Å
342R91.6Very high90.7Very high37 Ų3720.5 Ų20.514%0.1411%0.105CC..Hα-helixtrans-59.3-46.1175.1-179.777.7-178.8-177.51.3111.6F319 M338 T339 Y340 Q345 M376 K378 T380F319-R342 HydrophobicContact CE1-CB 4.19Å; F319-R342 HydrophobicContact CE1-CG 4.27Å; F319-R342 HydrophobicContact CE2-CB 4.13Å; F319-R342 HydrophobicContact CE2-CG 3.89Å; F319-R342 HydrophobicContact CZ-CB 3.45Å; F319-R342 VanDerWaalsContact CZ-CB 3.45Å; F319-R342 HydrophobicContact CZ-CG 3.59Å; M338-R342 PolarHBondContact O-N 2.95Å; T339-R342 WeakPolarHBondContact O-CB 3.33Å; T339-R342 PolarHBondContact O-N 3.04Å; T339-R342 VanDerWaalsContact O-N 3.14Å; Y340-R342 VanDerWaalsContact C-N 3.31Å; Y340-R342 PolarHBondContact O-N 3.03Å; R342-Q345 PolarHBondContact O-NE2 3.31Å; R342-M376 WeakPolarHBondContact CD-O 3.45Å; R342-M376 PolarHBondContact NH1-O 3.5Å; R342-K378 PolarHBondContact NH1-O 3.32Å; R342-T380 VanDerWaalsContact NH2-CG2 3.29Å
343L88.4Confident90.8Very high71 Ų7119.7 Ų19.737%0.37210%0.1SC..Hα-helixtrans-77.3-45.6-170.6-61.7176.4000112.9P80 C317 F319 T339 Y340 V341 Q345P80-L343 HydrophobicContact CG-CD1 4.13Å; C317-L343 HydrophobicContact CB-CD2 3.4Å; C317-L343 VanDerWaalsContact CB-CD2 3.4Å; C317-L343 WeakPolarHBondContact SG-CD2 3.05Å; F319-L343 HydrophobicContact CE2-CD2 4.41Å; T339-L343 VanDerWaalsContact O-CG 3.31Å; T339-L343 WeakPolarHBondContact O-CG 2.9Å; T339-L343 PolarHBondContact O-N 3.11Å; T339-L343 VanDerWaalsContact O-N 3.12Å; Y340-L343 PolarHBondContact O-N 3.15Å; Y340-L343 VanDerWaalsContact O-N 3.16Å; V341-L343 VanDerWaalsContact C-N 3.35Å; V341-L343 PolarHBondContact O-N 3.31Å; L343-Q345 PolarHBondContact O-NE2 2.81Å
344G88.2Confident91.1Very high5 Ų518.7 Ų18.75%0.05210%0.096CC..Hα-helixtrans-122.63.9-171.500000115.5Y340 T346Y340-G344 PolarHBondContact O-N 3.4Å; G344-T346 PolarHBondContact O-N 2.92Å; G344-T346 PolarHBondContact O-OG1 3.45Å
345Q93Very high91.2Very high44 Ų4419.1 Ų19.121%0.20610%0.101CC..SBendtrans49.836.5-178-58.676.258.500112.1V341 R342 L343 L377 N382 V385 T386V341-Q345 WeakPolarHBondContact O-CA 3.41Å; V341-Q345 PolarHBondContact O-N 2.95Å; R342-Q345 PolarHBondContact O-NE2 3.31Å; L343-Q345 PolarHBondContact O-NE2 2.81Å; Q345-L377 HydrophobicContact CG-CD1 4.45Å; Q345-L377 HydrophobicContact CG-CD2 4.15Å; Q345-N382 HydrophobicContact CG-CB 4.01Å; Q345-V385 CarbonylContact O-C 3.57Å; Q345-V385 WeakPolarHBondContact O-CA 3.49Å; Q345-T386 PolarHBondContact O-N 2.69Å
346T92.1Very high91.2Very high0 Ų021.4 Ų21.40%011%0.112CC..EExtended strand (participates in β ladder)trans-133.9140.8-174.7-58.20000109.3K83 Y340 G344 F348 T386 Y388K83-T346 VanDerWaalsContact CD-OG1 3.29Å; K83-T346 WeakPolarHBondContact CD-OG1 3.39Å; K83-T346 VanDerWaalsContact CE-OG1 3.31Å; K83-T346 WeakPolarHBondContact CE-OG1 3.34Å; K83-T346 PolarHBondContact NZ-OG1 3.42Å; Y340-T346 WeakPolarHBondContact CD1-O 3.33Å; Y340-T346 HydrophobicContact CE1-CG2 3.72Å; Y340-T346 WeakPolarHBondContact CE1-O 3.31Å; G344-T346 PolarHBondContact O-N 2.92Å; G344-T346 PolarHBondContact O-OG1 3.45Å; T346-F348 HydrophobicContact CG2-CE2 4.38Å; T346-F348 HydrophobicContact CG2-CZ 4.49Å; T346-T386 CarbonylContact C-O 3.54Å; T346-T386 VanDerWaalsContact CA-O 3.3Å; T346-T386 WeakPolarHBondContact CA-O 3.29Å; T346-Y388 HydrophobicContact CG2-CD2 3.72Å; T346-Y388 HydrophobicContact CG2-CE2 3.63Å
347L93.3Very high91.3Very high4 Ų425.7 Ų25.72%0.02114%0.143CC..EExtended strand (participates in β ladder)trans-134.1132.7172.1179.565.2000109.3N337 M338 V341 L349 Y373 V385 T386 E387 Y388N337-L347 HydrophobicContact CB-CD1 3.75Å; M338-L347 HydrophobicContact CE-CD1 4.37Å; M338-L347 HydrophobicContact CE-CD2 4.3Å; V341-L347 HydrophobicContact CG2-CB 3.99Å; V341-L347 HydrophobicContact CG2-CD1 4.41Å; L347-L349 HydrophobicContact CD2-CD2 3.7Å; L347-L349 HydrophobicContact CD2-CG 4.26Å; L347-L349 HydrophobicContact CG-CD2 4.35Å; L347-Y373 HydrophobicContact CD2-CE1 4.22Å; L347-Y373 WeakPolarHBondContact CD2-OH 3.39Å; L347-V385 HydrophobicContact CB-CG1 4.35Å; L347-T386 PolarHBondContact N-O 3.19Å; L347-E387 CarbonylContact O-C 3.59Å; L347-E387 WeakPolarHBondContact O-CA 3.45Å; L347-Y388 PolarHBondContact O-N 2.94Å
348F92.2Very high91.7Very high15 Ų1525.5 Ų25.57%0.06614%0.141CC..EExtended strand (participates in β ladder)trans-95.4109168.1-64.5-77.7000108.7M81 F88 V91 L92 Y340 T346 Y388 Y395M81-F348 HydrophobicContact CE-CD2 4.29Å; M81-F348 HydrophobicContact CE-CE2 3.69Å; M81-F348 HydrophobicContact CE-CZ 4.28Å; F88-F348 HydrophobicContact CD2-CE2 4.4Å; F88-F348 AromaticContact CD2-CZ 3.66Å; F88-F348 HydrophobicContact CD2-CZ 3.66Å; F88-F348 HydrophobicContact CE2-CE1 4.08Å; F88-F348 HydrophobicContact CE2-CE2 4.33Å; F88-F348 AromaticContact CE2-CZ 3.39Å; F88-F348 HydrophobicContact CE2-CZ 3.39Å; F88-F348 HydrophobicContact CZ-CE1 4.46Å; F88-F348 HydrophobicContact CZ-CZ 4.18Å; V91-F348 HydrophobicContact CG1-CD1 4.11Å; V91-F348 HydrophobicContact CG1-CD2 4.13Å; V91-F348 HydrophobicContact CG1-CE1 4.18Å; V91-F348 HydrophobicContact CG1-CE2 4.19Å; V91-F348 HydrophobicContact CG1-CG 4.06Å; V91-F348 HydrophobicContact CG1-CZ 4.18Å; L92-F348 HydrophobicContact CD2-CD1 4.46Å; L92-F348 HydrophobicContact CD2-CE1 3.75Å; L92-F348 HydrophobicContact CG-CE1 4.27Å; Y340-F348 HydrophobicContact CD1-CD2 4.48Å; Y340-F348 AromaticContact CE1-CD2 3.84Å; Y340-F348 HydrophobicContact CE1-CD2 3.84Å; Y340-F348 AromaticContact CE1-CE2 3.61Å; Y340-F348 HydrophobicContact CE1-CE2 3.61Å; T346-F348 HydrophobicContact CG2-CE2 4.38Å; T346-F348 HydrophobicContact CG2-CZ 4.49Å; F348-Y388 AromaticContact CD1-CD2 3.97Å; F348-Y388 HydrophobicContact CD1-CD2 3.97Å; F348-Y388 AromaticContact CD1-CG 3.84Å; F348-Y388 HydrophobicContact CD1-CG 3.84Å; F348-Y388 HydrophobicContact CE1-CD1 4.37Å; F348-Y388 AromaticContact CE1-CD2 3.72Å; F348-Y388 HydrophobicContact CE1-CD2 3.72Å; F348-Y388 HydrophobicContact CE1-CE2 4.3Å; F348-Y388 AromaticContact CE1-CG 3.78Å; F348-Y388 HydrophobicContact CE1-CG 3.78Å; F348-Y388 HydrophobicContact CZ-CD2 4.4Å; F348-Y395 VanDerWaalsContact CA-OH 3.31Å; F348-Y395 WeakPolarHBondContact CA-OH 3.24Å; F348-Y395 WeakPolarHBondContact CB-OH 3.28Å; F348-Y395 AromaticContact CD1-CE1 3.85Å; F348-Y395 HydrophobicContact CD1-CE1 3.85Å; F348-Y395 HydrophobicContact CE1-CE1 4.48Å
349L94.6Very high91.9Very high9 Ų931.7 Ų31.75%0.04717%0.169CC..PPolyproline II helixtrans-74.4129175.3-71.3170.6000109.3L347 H362 E387 Y388 Y395L347-L349 HydrophobicContact CD2-CD2 3.7Å; L347-L349 HydrophobicContact CD2-CG 4.26Å; L347-L349 HydrophobicContact CG-CD2 4.35Å; L349-H362 HydrophobicContact CD1-CB 3.76Å; L349-H362 HydrophobicContact CD2-CB 4.21Å; L349-H362 HydrophobicContact CG-CB 4.45Å; L349-E387 HydrophobicContact CD1-CB 4.25Å; L349-Y388 WeakPolarHBondContact CB-O 3.49Å; L349-Y388 PolarHBondContact N-O 3.03Å; L349-Y395 PolarHBondContact N-OH 3.29Å; L349-Y395 PolarHBondContact O-OH 2.94Å
350P93.2Very high92.3Very high51 Ų5132.2 Ų32.233%0.33117%0.173SC..PPolyproline II helixtrans-66.7144.5-173.926.2-33.7000111.3M116 H362M116-P350 HydrophobicContact CE-CB 4.34Å; M116-P350 HydrophobicContact CE-CG 3.66Å; M116-P350 HydrophobicContact SD-CG 4.5Å; P350-H362 PolarHBondContact O-NE2 2.77Å
351I93.9Very high92.7Very high13 Ų1331.9 Ų31.97%0.06717%0.172CC..PPolyproline II helixtrans-85.6131.7172.7-55.8-58.8000109.2H95 A98 I99 A102 V113 R390 Y395H95-I351 HydrophobicContact CB-CG1 4.26Å; A98-I351 HydrophobicContact CB-CB 3.76Å; A98-I351 HydrophobicContact CB-CG1 4.14Å; A98-I351 HydrophobicContact CB-CG2 4.09Å; I99-I351 HydrophobicContact CD1-CD1 4.09Å; I99-I351 HydrophobicContact CG1-CD1 3.65Å; I99-I351 HydrophobicContact CG1-CG1 3.87Å; I99-I351 HydrophobicContact CG1-CG2 3.99Å; A102-I351 HydrophobicContact CB-CG2 4.19Å; V113-I351 WeakPolarHBondContact CG1-O 3.36Å; I351-R390 HydrophobicContact CD1-CB 3.95Å; I351-Y395 HydrophobicContact CD1-CD2 3.94Å; I351-Y395 HydrophobicContact CD1-CE2 3.89Å
352V94.8Very high93Very high3 Ų332 Ų322%0.01817%0.173CC..  trans-130.7178175.8-71.80000111.7M116 E354 V361 N515M116-V352 HydrophobicContact CB-CG1 4.25Å; M116-V352 HydrophobicContact CE-CB 4.03Å; M116-V352 HydrophobicContact CE-CG1 3.15Å; M116-V352 HydrophobicContact CE-CG2 3.74Å; V352-E354 PolarHBondContact O-N 3.03Å; V352-E354 VanDerWaalsContact O-N 3.15Å; V352-V361 HydrophobicContact CG2-CG2 3.71Å; V352-N515 HydrophobicContact CG2-CB 4.1Å
353L94.1Very high93.2Very high6 Ų634.6 Ų34.63%0.03119%0.186CC..SBendtrans-64.9113.1173.6-59.8-173.1000110.3C46 A102 V105 M106 V113 V511 N515C46-L353 WeakPolarHBondContact O-CD1 3.47Å; A102-L353 HydrophobicContact CB-CD2 4.35Å; V105-L353 HydrophobicContact CB-CD2 3.64Å; V105-L353 HydrophobicContact CG1-CD1 3.81Å; V105-L353 HydrophobicContact CG1-CD2 3.59Å; V105-L353 HydrophobicContact CG1-CG 4.37Å; V105-L353 HydrophobicContact CG2-CD2 4.21Å; M106-L353 HydrophobicContact SD-CB 4.48Å; V113-L353 HydrophobicContact CB-CD2 4.1Å; V113-L353 HydrophobicContact CG2-CD2 4.21Å; L353-V511 HydrophobicContact CB-CG1 3.87Å; L353-V511 VanDerWaalsContact O-CG1 3.29Å; L353-V511 WeakPolarHBondContact O-CG1 3.4Å; L353-N515 PolarHBondContact O-ND2 3.21Å
354E93.2Very high93.5Very high2 Ų231.4 Ų31.41%0.00917%0.17CC..  trans-151.2158.6-179.164.1179138.900111.3V352 I356 V361 R390 H512V352-E354 PolarHBondContact O-N 3.03Å; V352-E354 VanDerWaalsContact O-N 3.15Å; E354-I356 PolarHBondContact O-N 2.9Å; E354-V361 HydrophobicContact CB-CG1 3.64Å; E354-V361 HydrophobicContact CG-CG1 4.5Å; E354-V361 PolarHBondContact OE2-N 3.46Å; E354-V361 VanDerWaalsContact OE2-N 3.15Å; E354-R390 WeakPolarHBondContact OE1-CD 3.22Å; E354-R390 IonicContact OE1-CZ 3.03Å; E354-R390 IonicContact OE1-NE 3.38Å; E354-R390 PolarHBondContact OE1-NE 3.1Å; E354-R390 IonicContact OE1-NH2 3.8Å; E354-R390 IonicContact OE2-CZ 3.97Å; E354-R390 IonicContact OE2-NE 2.8Å; E354-R390 PolarHBondContact OE2-NE 2.88Å; E354-R390 VanDerWaalsContact OE2-NE 3.11Å; E354-R390 IonicContact OE2-NH2 3.34Å; E354-R390 PolarHBondContact OE2-NH2 3.05Å; E354-H512 IonicContact OE2-CE1 2.88Å
355N92.1Very high93.9Very high36 Ų3631.2 Ų31.219%0.19317%0.168CC..  trans-74.6106.7169.8-175.3-9.5000109.9M106 S357 L358 H512M106-N355 HydrophobicContact CE-CB 4.49Å; N355-S357 PolarHBondContact O-N 3.15Å; N355-S357 VanDerWaalsContact O-N 3.15Å; N355-S357 WeakPolarHBondContact OD1-CB 3.29Å; N355-S357 PolarHBondContact OD1-N 2.94Å; N355-L358 HydrophobicContact CB-CD1 4.06Å; N355-L358 HydrophobicContact CB-CG 4.19Å; N355-L358 PolarHBondContact O-N 3.3Å; N355-H512 HydrophobicContact CB-CB 4.23Å; N355-H512 PolarHBondContact N-ND1 3.33Å
356I91.2Very high94Very high48 Ų4832.5 Ų32.525%0.24617%0.172CC..THydrogen-bonded Turntrans-63.6-18.3-178.860.6157.1000114.3V103 E354 L358 R390V103-I356 HydrophobicContact CG2-CD1 3.75Å; V103-I356 HydrophobicContact CG2-CG1 4.27Å; V103-I356 HydrophobicContact CG2-CG2 3.65Å; E354-I356 PolarHBondContact O-N 2.9Å; I356-L358 PolarHBondContact O-N 3.43Å; I356-R390 PolarHBondContact O-NH1 3.15Å
357S91.2Very high94.1Very high99 Ų9935.4 Ų35.469%0.69219%0.191SC*.THydrogen-bonded Turntrans-75.2-8.5174.6-55.10000112.9N355N355-S357 PolarHBondContact O-N 3.15Å; N355-S357 VanDerWaalsContact O-N 3.15Å; N355-S357 WeakPolarHBondContact OD1-CB 3.29Å; N355-S357 PolarHBondContact OD1-N 2.94Å
358L93.3Very high94.2Very high75 Ų7535.3 Ų35.339%0.39319%0.191SC..SBendtrans-106.3167.6175.9-58.4179000110.7N355 I356 R390 H512N355-L358 HydrophobicContact CB-CD1 4.06Å; N355-L358 HydrophobicContact CB-CG 4.19Å; N355-L358 PolarHBondContact O-N 3.3Å; I356-L358 PolarHBondContact O-N 3.43Å; L358-R390 PolarHBondContact O-NH1 2.98Å; L358-R390 PolarHBondContact O-NH2 3.05Å; L358-H512 HydrophobicContact CD1-CB 4.47Å
359H93.2Very high94.5Very high141 Ų14134.7 Ų34.765%0.65319%0.188SC*.  trans-57.8153.9170.9-67.6-76.6000111.8V361 R390 H512H359-V361 PolarHBondContact O-N 3Å; H359-R390 PolarHBondContact O-NH2 3.05Å; H359-H512 PolarHBondContact O-CE1 3.15Å
360C95.5Very high94.6Very high11 Ų1135.2 Ų35.27%0.07419%0.193CC..  trans-53.9137.7178.3-176.90000111.7H362 E363 T389 R390C360-H362 PolarHBondContact O-N 2.95Å; C360-H362 PolarHBondContact SG-CD2 3.24Å; C360-E363 PolarHBondContact O-N 3.2Å; C360-T389 PolarHBondContact SG-OG1 3.34Å; C360-R390 VanDerWaalsContact N-NH2 3.17Å
361V96.6Very high94.7Very high0 Ų032.9 Ų32.90%018%0.178CC..G310 helixtrans-55.7-23.1177.9-65.70000113.3V352 E354 H359 E363 C364 N515 Q516V352-V361 HydrophobicContact CG2-CG2 3.71Å; E354-V361 HydrophobicContact CB-CG1 3.64Å; E354-V361 HydrophobicContact CG-CG1 4.5Å; E354-V361 PolarHBondContact OE2-N 3.46Å; E354-V361 VanDerWaalsContact OE2-N 3.15Å; H359-V361 PolarHBondContact O-N 3Å; V361-E363 VanDerWaalsContact C-N 3.32Å; V361-E363 PolarHBondContact O-N 2.84Å; V361-C364 PolarHBondContact O-SG 2.89Å; V361-N515 HydrophobicContact CB-CB 4.4Å; V361-N515 HydrophobicContact CG1-CB 3.99Å; V361-Q516 HydrophobicContact CB-CG 3.99Å; V361-Q516 HydrophobicContact CG1-CG 4.08Å
362H96.8Very high94.9Very high3 Ų332.3 Ų32.31%0.01418%0.175CC..G310 helixtrans-78.1-8179.3-64.3-64.4000114.6M116 L349 P350 C360 C364 S365 K366 R369 S519M116-H362 VanDerWaalsContact SD-CE1 3.58Å; L349-H362 HydrophobicContact CD1-CB 3.76Å; L349-H362 HydrophobicContact CD2-CB 4.21Å; L349-H362 HydrophobicContact CG-CB 4.45Å; P350-H362 PolarHBondContact O-NE2 2.77Å; C360-H362 PolarHBondContact O-N 2.95Å; C360-H362 PolarHBondContact SG-CD2 3.24Å; H362-C364 VanDerWaalsContact C-N 3.26Å; H362-C364 PolarHBondContact O-N 3.25Å; H362-S365 PolarHBondContact O-N 3.27Å; H362-S365 PolarHBondContact O-OG 3.04Å; H362-S365 VanDerWaalsContact O-OG 3.11Å; H362-K366 PolarHBondContact O-N 2.83Å; H362-R369 PolarHBondContact O-NH1 2.91Å; H362-R369 PolarHBondContact O-NH2 3.45Å; H362-S519 PolarHBondContact ND1-OG 3.29Å
363E95.7Very high95Very high91 Ų9132.2 Ų32.243%0.42517%0.174SC..G310 helixtrans-63-36.3179.7-16863-158.200111.2C360 V361 S365 K366C360-E363 PolarHBondContact O-N 3.2Å; V361-E363 VanDerWaalsContact C-N 3.32Å; V361-E363 PolarHBondContact O-N 2.84Å; E363-S365 VanDerWaalsContact C-N 3.28Å; E363-S365 PolarHBondContact O-N 3.4Å; E363-K366 WeakPolarHBondContact O-CB 3.49Å; E363-K366 PolarHBondContact O-N 3.1Å; E363-K366 VanDerWaalsContact OE1-CD 3.24Å; E363-K366 WeakPolarHBondContact OE1-CD 3.45Å; E363-K366 IonicContact OE1-NZ 3.63Å; E363-K366 PolarHBondContact OE1-NZ 2.68Å; E363-K366 IonicContact OE2-NZ 2.78Å
364C94.8Very high95.2Very high4 Ų432.1 Ų32.13%0.02718%0.175CC..G310 helixtrans-69.3-21.4-177.963.30000114.2V361 H362 S455 Q516V361-C364 PolarHBondContact O-SG 2.89Å; H362-C364 VanDerWaalsContact C-N 3.26Å; H362-C364 PolarHBondContact O-N 3.25Å; C364-S455 WeakPolarHBondContact O-CB 3.28Å; C364-Q516 VanDerWaalsContact SG-CB 3.59Å; C364-Q516 PolarHBondContact SG-O 3.31Å
365S96.3Very high95.3Very high1 Ų132 Ų321%0.00718%0.175CC..G310 helixtrans-97.20.6177.6560000113.2H362 E363 P367 L368 R369 S519H362-S365 PolarHBondContact O-N 3.27Å; H362-S365 PolarHBondContact O-OG 3.04Å; H362-S365 VanDerWaalsContact O-OG 3.11Å; E363-S365 VanDerWaalsContact C-N 3.28Å; E363-S365 PolarHBondContact O-N 3.4Å; S365-P367 VanDerWaalsContact C-CD 3.49Å; S365-L368 WeakPolarHBondContact O-CB 3.48Å; S365-L368 PolarHBondContact O-N 3.33Å; S365-L368 VanDerWaalsContact O-N 3.09Å; S365-R369 PolarHBondContact O-N 3.38Å; S365-R369 VanDerWaalsContact O-N 3.09Å; S365-R369 PolarHBondContact OG-NH1 3.05Å; S365-S519 PolarHBondContact OG-OG 2.87Å
366K95.8Very high95.5Very high70 Ų7030.3 Ų30.330%0.30417%0.166SC..Hα-helixtrans-55-40.9179.8-176.3178.8-176.5172.20114.3H362 E363 L368 R369 A370H362-K366 PolarHBondContact O-N 2.83Å; E363-K366 WeakPolarHBondContact O-CB 3.49Å; E363-K366 PolarHBondContact O-N 3.1Å; E363-K366 VanDerWaalsContact OE1-CD 3.24Å; E363-K366 WeakPolarHBondContact OE1-CD 3.45Å; E363-K366 IonicContact OE1-NZ 3.63Å; E363-K366 PolarHBondContact OE1-NZ 2.68Å; E363-K366 IonicContact OE2-NZ 2.78Å; K366-L368 VanDerWaalsContact C-N 3.29Å; K366-L368 PolarHBondContact O-N 3.23Å; K366-R369 PolarHBondContact O-N 2.73Å; K366-A370 PolarHBondContact O-N 2.54Å
367P94.8Very high95.7Very high62 Ų6228.1 Ų28.140%0.40315%0.154SC..Hα-helixtrans-62-34.5176.6-23.935.3000113.5S365 I371 F428S365-P367 VanDerWaalsContact C-CD 3.49Å; P367-I371 PolarHBondContact O-N 3.26Å; P367-F428 HydrophobicContact CB-CE1 3.95Å; P367-F428 HydrophobicContact CB-CZ 4.35Å
368L95.5Very high95.9Very high1 Ų127.1 Ų27.11%0.00514%0.138CC..Hα-helixtrans-68.5-45.6173.7-82172.2000111.9S365 K366 A370 I371 I372 F428 M451 T523 I524 L527S365-L368 WeakPolarHBondContact O-CB 3.48Å; S365-L368 PolarHBondContact O-N 3.33Å; S365-L368 VanDerWaalsContact O-N 3.09Å; K366-L368 VanDerWaalsContact C-N 3.29Å; K366-L368 PolarHBondContact O-N 3.23Å; L368-A370 PolarHBondContact O-N 2.89Å; L368-I371 WeakPolarHBondContact O-CB 3.15Å; L368-I371 PolarHBondContact O-N 3.3Å; L368-I372 PolarHBondContact O-N 3.27Å; L368-F428 HydrophobicContact CD2-CE2 3.83Å; L368-F428 HydrophobicContact CD2-CZ 3.76Å; L368-F428 HydrophobicContact CG-CE2 4.39Å; L368-F428 HydrophobicContact CG-CZ 3.84Å; L368-M451 HydrophobicContact CD1-CE 3.26Å; L368-M451 HydrophobicContact CD2-CE 3.55Å; L368-M451 HydrophobicContact CG-CE 3.22Å; L368-T523 HydrophobicContact CB-CG2 3.41Å; L368-T523 VanDerWaalsContact CB-CG2 3.41Å; L368-T523 HydrophobicContact CD1-CG2 4.06Å; L368-T523 HydrophobicContact CG-CG2 4.39Å; L368-I524 HydrophobicContact CD1-CB 3.87Å; L368-I524 HydrophobicContact CD1-CG1 4.42Å; L368-I524 HydrophobicContact CD2-CG1 4.35Å; L368-L527 HydrophobicContact CD2-CD2 3.72Å
369R96.8Very high95.9Very high3 Ų327.2 Ų27.21%0.01116%0.156CC..Hα-helixtrans-58.4-39.8177.4-68.9-161.8-54.4-80.15.1111.1H362 S365 K366 I371 I372 Y373 E387 T523H362-R369 PolarHBondContact O-NH1 2.91Å; H362-R369 PolarHBondContact O-NH2 3.45Å; S365-R369 PolarHBondContact O-N 3.38Å; S365-R369 VanDerWaalsContact O-N 3.09Å; S365-R369 PolarHBondContact OG-NH1 3.05Å; K366-R369 PolarHBondContact O-N 2.73Å; R369-I371 VanDerWaalsContact C-N 3.29Å; R369-I371 PolarHBondContact O-N 3.08Å; R369-I372 PolarHBondContact O-N 2.75Å; R369-I372 VanDerWaalsContact O-N 3.11Å; R369-Y373 HydrophobicContact CB-CD2 4.48Å; R369-Y373 HydrophobicContact CB-CE1 4.14Å; R369-Y373 HydrophobicContact CB-CE2 3.83Å; R369-Y373 WeakPolarHBondContact CD-OH 3.43Å; R369-Y373 PolarHBondContact NE-OH 3.37Å; R369-Y373 WeakPolarHBondContact O-CB 3.31Å; R369-Y373 VanDerWaalsContact O-CD1 3.3Å; R369-Y373 WeakPolarHBondContact O-CD1 3.02Å; R369-Y373 VanDerWaalsContact O-CD2 3.32Å; R369-Y373 WeakPolarHBondContact O-CD2 3.17Å; R369-Y373 PolarHBondContact O-N 3.39Å; R369-E387 IonicContact CZ-OE1 2.92Å; R369-E387 IonicContact CZ-OE2 3.75Å; R369-E387 IonicContact NE-OE1 2.84Å; R369-E387 PolarHBondContact NE-OE1 3.04Å; R369-E387 IonicContact NE-OE2 3.97Å; R369-E387 IonicContact NH2-OE1 3.7Å; R369-E387 PolarHBondContact NH2-OE1 3.05Å; R369-E387 IonicContact NH2-OE2 2.76Å; R369-E387 PolarHBondContact NH2-OE2 2.99Å; R369-T523 HydrophobicContact CB-CG2 4.46Å; R369-T523 HydrophobicContact CG-CG2 3.53Å
370A96.8Very high95.8Very high19 Ų1922.7 Ų22.716%0.15714%0.139CC..Hα-helixtrans-58.2-37.5174.900000113.3K366 L368 G374 K403K366-A370 PolarHBondContact O-N 2.54Å; L368-A370 PolarHBondContact O-N 2.89Å; A370-G374 PolarHBondContact O-N 2.97Å; A370-K403 HydrophobicContact CB-CB 4.47Å; A370-K403 PolarHBondContact O-N 3.39Å
371I97.1Very high95.7Very high3 Ų324.8 Ų24.82%0.01516%0.162CC..Hα-helixtrans-65-50.1173.1-60.6167000110.1P367 L368 R369 Y373 G374 I375 K403 V406 I423 N427 F428 L527P367-I371 PolarHBondContact O-N 3.26Å; L368-I371 WeakPolarHBondContact O-CB 3.15Å; L368-I371 PolarHBondContact O-N 3.3Å; R369-I371 VanDerWaalsContact C-N 3.29Å; R369-I371 PolarHBondContact O-N 3.08Å; I371-Y373 VanDerWaalsContact C-N 3.31Å; I371-Y373 PolarHBondContact O-N 3.09Å; I371-G374 PolarHBondContact O-N 3.01Å; I371-G374 VanDerWaalsContact O-N 3.16Å; I371-I375 HydrophobicContact CG2-CD1 4.04Å; I371-I375 WeakPolarHBondContact O-CG1 3.38Å; I371-I375 PolarHBondContact O-N 2.83Å; I371-K403 HydrophobicContact CG1-CD 3.66Å; I371-V406 HydrophobicContact CG2-CG1 4Å; I371-I423 HydrophobicContact CG2-CG2 4.16Å; I371-N427 HydrophobicContact CD1-CB 4.02Å; I371-F428 HydrophobicContact CD1-CE2 4.18Å; I371-F428 HydrophobicContact CD1-CZ 4.24Å; I371-L527 HydrophobicContact CB-CD2 4.2Å; I371-L527 HydrophobicContact CD1-CD2 4.21Å; I371-L527 HydrophobicContact CG2-CD1 3.81Å; I371-L527 HydrophobicContact CG2-CD2 3.81Å
372I96.9Very high95.7Very high0 Ų027.5 Ų27.50%018%0.177CC..Hα-helixtrans-57.9-46.1179-64.7169.6000110.5M338 L368 R369 G374 I375 M376 T523 C526 L527 L530M338-I372 HydrophobicContact CB-CG2 4.4Å; M338-I372 HydrophobicContact CG-CG2 3.89Å; M338-I372 HydrophobicContact SD-CG2 3.54Å; M338-I372 VanDerWaalsContact SD-CG2 3.54Å; L368-I372 PolarHBondContact O-N 3.27Å; R369-I372 PolarHBondContact O-N 2.75Å; R369-I372 VanDerWaalsContact O-N 3.11Å; I372-G374 VanDerWaalsContact C-N 3.32Å; I372-G374 PolarHBondContact O-N 3.07Å; I372-I375 PolarHBondContact O-N 3.42Å; I372-M376 HydrophobicContact CG2-CG 4.09Å; I372-M376 WeakPolarHBondContact O-CB 3.46Å; I372-M376 WeakPolarHBondContact O-CG 3.44Å; I372-M376 PolarHBondContact O-N 3.45Å; I372-T523 HydrophobicContact CD1-CG2 3.59Å; I372-C526 HydrophobicContact CD1-CB 3.79Å; I372-L527 HydrophobicContact CD1-CB 4.09Å; I372-L527 HydrophobicContact CG1-CB 3.89Å; I372-L527 HydrophobicContact CG1-CD1 4.03Å; I372-L527 HydrophobicContact CG1-CG 4.44Å; I372-L530 HydrophobicContact CG2-CD2 4.13Å
373Y97.6Very high95.7Very high1 Ų133.1 Ų33.10%0.00420%0.198CC..Hα-helixtrans-63.6-39.1178.5-55.8-23.6000111.9M338 V341 L347 R369 I371 M376 L377 V385 E387 A400M338-Y373 HydrophobicContact SD-CE1 4.29Å; V341-Y373 HydrophobicContact CG1-CD1 3.83Å; V341-Y373 HydrophobicContact CG1-CE1 4.31Å; V341-Y373 HydrophobicContact CG1-CG 4.48Å; V341-Y373 HydrophobicContact CG2-CD1 4.3Å; V341-Y373 HydrophobicContact CG2-CE1 3.99Å; L347-Y373 HydrophobicContact CD2-CE1 4.22Å; L347-Y373 WeakPolarHBondContact CD2-OH 3.39Å; R369-Y373 HydrophobicContact CB-CD2 4.48Å; R369-Y373 HydrophobicContact CB-CE1 4.14Å; R369-Y373 HydrophobicContact CB-CE2 3.83Å; R369-Y373 WeakPolarHBondContact CD-OH 3.43Å; R369-Y373 PolarHBondContact NE-OH 3.37Å; R369-Y373 WeakPolarHBondContact O-CB 3.31Å; R369-Y373 VanDerWaalsContact O-CD1 3.3Å; R369-Y373 WeakPolarHBondContact O-CD1 3.02Å; R369-Y373 VanDerWaalsContact O-CD2 3.32Å; R369-Y373 WeakPolarHBondContact O-CD2 3.17Å; R369-Y373 PolarHBondContact O-N 3.39Å; I371-Y373 VanDerWaalsContact C-N 3.31Å; I371-Y373 PolarHBondContact O-N 3.09Å; Y373-M376 PolarHBondContact O-N 3.35Å; Y373-L377 VanDerWaalsContact O-CB 3.24Å; Y373-L377 WeakPolarHBondContact O-CB 3.37Å; Y373-L377 WeakPolarHBondContact O-CG 3.33Å; Y373-L377 PolarHBondContact O-N 3.43Å; Y373-V385 HydrophobicContact CD1-CG2 4.05Å; Y373-V385 HydrophobicContact CD2-CB 3.94Å; Y373-V385 HydrophobicContact CD2-CG2 3.71Å; Y373-V385 HydrophobicContact CE1-CG1 4.32Å; Y373-V385 HydrophobicContact CE1-CG2 4.49Å; Y373-V385 HydrophobicContact CE2-CB 3.96Å; Y373-V385 HydrophobicContact CE2-CG1 4.19Å; Y373-V385 HydrophobicContact CE2-CG2 4.19Å; Y373-V385 HydrophobicContact CG-CB 4.31Å; Y373-V385 HydrophobicContact CG-CG2 3.63Å; Y373-E387 VanDerWaalsContact CE2-OE1 3.26Å; Y373-E387 WeakPolarHBondContact CE2-OE1 3.38Å; Y373-E387 PolarHBondContact OH-OE1 3.08Å; Y373-A400 HydrophobicContact CD2-CB 4.48Å; Y373-A400 HydrophobicContact CE2-CB 3.95Å
374G97.2Very high95.7Very high4 Ų432.3 Ų32.34%0.04120%0.199CC..Hα-helixtrans-59.4-45.7174.400000112.4A370 I371 I372 K378 K403A370-G374 PolarHBondContact O-N 2.97Å; I371-G374 PolarHBondContact O-N 3.01Å; I371-G374 VanDerWaalsContact O-N 3.16Å; I372-G374 VanDerWaalsContact C-N 3.32Å; I372-G374 PolarHBondContact O-N 3.07Å; G374-K378 WeakPolarHBondContact O-CB 3.38Å; G374-K378 PolarHBondContact O-N 3.38Å; G374-K403 VanDerWaalsContact CA-O 3.31Å; G374-K403 WeakPolarHBondContact CA-O 3.3Å
375I96.7Very high95.8Very high1 Ų132.1 Ų32.11%0.00520%0.198CC..Hα-helixtrans-66.2-48.8177.1-63.1165.2000110.1I371 I372 L377 K378 V406 M409 I412 L527 L530 L531I371-I375 HydrophobicContact CG2-CD1 4.04Å; I371-I375 WeakPolarHBondContact O-CG1 3.38Å; I371-I375 PolarHBondContact O-N 2.83Å; I372-I375 PolarHBondContact O-N 3.42Å; I375-L377 VanDerWaalsContact C-N 3.34Å; I375-L377 PolarHBondContact O-N 3.46Å; I375-K378 PolarHBondContact O-N 3.04Å; I375-V406 HydrophobicContact CG1-CB 3.95Å; I375-V406 HydrophobicContact CG1-CG2 3.95Å; I375-M409 HydrophobicContact CG2-CG 3.83Å; I375-I412 HydrophobicContact CD1-CD1 4.28Å; I375-I412 HydrophobicContact CG2-CD1 3.61Å; I375-L527 HydrophobicContact CD1-CD1 3.65Å; I375-L530 HydrophobicContact CB-CD2 3.74Å; I375-L530 HydrophobicContact CD1-CD2 3.93Å; I375-L530 HydrophobicContact CD1-CG 4.45Å; I375-L530 HydrophobicContact CG1-CD2 4.45Å; I375-L530 HydrophobicContact CG2-CD1 4.18Å; I375-L530 HydrophobicContact CG2-CD2 3.54Å; I375-L530 HydrophobicContact CG2-CG 3.84Å; I375-L531 HydrophobicContact CD1-CD2 4.23Å
376M95.1Very high95.8Very high0 Ų033.6 Ų33.60%021%0.207CC..Hα-helixtrans-63-37.2-178.8-76.3-61.2-177.800111.9F319 F323 M338 R342 I372 Y373 M409 L530F319-M376 HydrophobicContact CE1-SD 4.16Å; F323-M376 HydrophobicContact CE2-CE 4.2Å; F323-M376 HydrophobicContact CZ-CE 4.36Å; M338-M376 HydrophobicContact CB-CE 3.48Å; M338-M376 VanDerWaalsContact CB-CE 3.48Å; M338-M376 HydrophobicContact CB-CG 4.23Å; M338-M376 HydrophobicContact CB-SD 4.41Å; R342-M376 WeakPolarHBondContact CD-O 3.45Å; R342-M376 PolarHBondContact NH1-O 3.5Å; I372-M376 HydrophobicContact CG2-CG 4.09Å; I372-M376 WeakPolarHBondContact O-CB 3.46Å; I372-M376 WeakPolarHBondContact O-CG 3.44Å; I372-M376 PolarHBondContact O-N 3.45Å; Y373-M376 PolarHBondContact O-N 3.35Å; M376-M409 HydrophobicContact SD-CE 4.5Å; M376-M409 HydrophobicContact SD-SD 3.77Å; M376-L530 HydrophobicContact CE-CD1 3.6Å; M376-L530 HydrophobicContact CE-CD2 4.05Å; M376-L530 HydrophobicContact CE-CG 4.43Å; M376-L530 HydrophobicContact CG-CD2 4.36Å; M376-L530 HydrophobicContact SD-CD1 4.34Å
377L95.8Very high95.8Very high2 Ų230.5 Ų30.51%0.0119%0.193CC..Hα-helixtrans-97.5-3.9-175.9-63.5178.8000114.2V341 Q345 Y373 I375 G379 T380 N382 V385 V402V341-L377 HydrophobicContact CG1-CD1 4.47Å; V341-L377 HydrophobicContact CG1-CD2 4.48Å; V341-L377 HydrophobicContact CG1-CG 4.38Å; Q345-L377 HydrophobicContact CG-CD1 4.45Å; Q345-L377 HydrophobicContact CG-CD2 4.15Å; Y373-L377 VanDerWaalsContact O-CB 3.24Å; Y373-L377 WeakPolarHBondContact O-CB 3.37Å; Y373-L377 WeakPolarHBondContact O-CG 3.33Å; Y373-L377 PolarHBondContact O-N 3.43Å; I375-L377 VanDerWaalsContact C-N 3.34Å; I375-L377 PolarHBondContact O-N 3.46Å; L377-G379 PolarHBondContact O-N 2.98Å; L377-T380 WeakPolarHBondContact O-CB 3.36Å; L377-T380 PolarHBondContact O-N 3.24Å; L377-T380 PolarHBondContact O-OG1 3.35Å; L377-N382 HydrophobicContact CB-CB 4.47Å; L377-N382 HydrophobicContact CD1-CB 4.07Å; L377-N382 HydrophobicContact CD2-CB 4.24Å; L377-V385 HydrophobicContact CD1-CG2 3.66Å; L377-V402 HydrophobicContact CD1-CG1 3.83Å
378K95.4Very high95.8Very high78 Ų7829 Ų2934%0.33918%0.18SC..THydrogen-bonded Turntrans-52.5131.3178-157.582.2177.4-152.50110.5R342 G374 I375 T380 E404 V406R342-K378 PolarHBondContact NH1-O 3.32Å; G374-K378 WeakPolarHBondContact O-CB 3.38Å; G374-K378 PolarHBondContact O-N 3.38Å; I375-K378 PolarHBondContact O-N 3.04Å; K378-T380 VanDerWaalsContact C-N 3.31Å; K378-T380 PolarHBondContact O-N 3.42Å; K378-E404 PolarHBondContact NZ-O 2.58Å; K378-V406 PolarHBondContact NZ-O 2.95Å
379G92.6Very high95.8Very high76 Ų7629.4 Ų29.478%0.78418%0.183SC*.THydrogen-bonded Turntrans79.4-5.6-178.800000116.5L377L377-G379 PolarHBondContact O-N 2.98Å
380T92.7Very high95.8Very high46 Ų4629.6 Ų29.628%0.28218%0.183SC..SBendtrans-84.8-15.1177.461.60000114.5R342 L377 K378 N382R342-T380 VanDerWaalsContact NH2-CG2 3.29Å; L377-T380 WeakPolarHBondContact O-CB 3.36Å; L377-T380 PolarHBondContact O-N 3.24Å; L377-T380 PolarHBondContact O-OG1 3.35Å; K378-T380 VanDerWaalsContact C-N 3.31Å; K378-T380 PolarHBondContact O-N 3.42Å; T380-N382 PolarHBondContact O-N 2.92Å; T380-N382 WeakPolarHBondContact OG1-CB 3.49Å; T380-N382 PolarHBondContact OG1-N 2.9Å; T380-N382 PolarHBondContact OG1-ND2 3.29Å
381G93.7Very high95.6Very high56 Ų5630.7 Ų30.758%0.57719%0.188SC*.SBendtrans82.6-16.3-166.100000114.4
382N95.1Very high95.3Very high57 Ų5736.5 Ų36.531%0.30522%0.215SC..  trans-73.7145.3177.1-62.8-60.1000111.9Q345 L377 T380Q345-N382 HydrophobicContact CG-CB 4.01Å; L377-N382 HydrophobicContact CB-CB 4.47Å; L377-N382 HydrophobicContact CD1-CB 4.07Å; L377-N382 HydrophobicContact CD2-CB 4.24Å; T380-N382 PolarHBondContact O-N 2.92Å; T380-N382 WeakPolarHBondContact OG1-CB 3.49Å; T380-N382 PolarHBondContact OG1-N 2.9Å; T380-N382 PolarHBondContact OG1-ND2 3.29Å
383R96.6Very high94.8Very high121 Ų12141.8 Ų41.846%0.45724%0.243SC..  trans-133.50.3-177-63.8-64.8-177.9-89-4.3114.3V402 E404R383-V402 HydrophobicContact CB-CG2 4.29Å; R383-V402 WeakPolarHBondContact O-CG1 3.16Å; R383-V402 WeakPolarHBondContact O-CG2 3.36Å; R383-V402 PolarHBondContact O-N 3.11Å; R383-V402 VanDerWaalsContact O-N 3.09Å; R383-E404 IonicContact NE-OE1 3.83Å
384V97.2Very high94.6Very high74 Ų7444.1 Ų44.145%0.44826%0.257SS..EExtended strand (participates in β ladder)trans-139.7152.8-178.3-64.80000110.6V399 A400V384-V399 HydrophobicContact CB-CG1 3.85Å; V384-V399 HydrophobicContact CG1-CG1 3.92Å; V384-A400 CarbonylContact C-O 3.54Å; V384-A400 WeakPolarHBondContact CA-O 3.42Å
385V96.8Very high94.4Very high0 Ų044.5 Ų44.50%026%0.257CS..EExtended strand (participates in β ladder)trans-125.3137.4173.7178.40000108.3V341 Q345 L347 Y373 L377 A400V341-V385 HydrophobicContact CG1-CG1 4.17Å; V341-V385 HydrophobicContact CG1-CG2 3.57Å; V341-V385 HydrophobicContact CG2-CG1 4.21Å; Q345-V385 CarbonylContact O-C 3.57Å; Q345-V385 WeakPolarHBondContact O-CA 3.49Å; L347-V385 HydrophobicContact CB-CG1 4.35Å; Y373-V385 HydrophobicContact CD1-CG2 4.05Å; Y373-V385 HydrophobicContact CD2-CB 3.94Å; Y373-V385 HydrophobicContact CD2-CG2 3.71Å; Y373-V385 HydrophobicContact CE1-CG1 4.32Å; Y373-V385 HydrophobicContact CE1-CG2 4.49Å; Y373-V385 HydrophobicContact CE2-CB 3.96Å; Y373-V385 HydrophobicContact CE2-CG1 4.19Å; Y373-V385 HydrophobicContact CE2-CG2 4.19Å; Y373-V385 HydrophobicContact CG-CB 4.31Å; Y373-V385 HydrophobicContact CG-CG2 3.63Å; L377-V385 HydrophobicContact CD1-CG2 3.66Å; V385-A400 PolarHBondContact N-O 3.33Å; V385-A400 PolarHBondContact O-N 2.97Å
386T96Very high94.3Very high31 Ų3148.6 Ų48.619%0.1928%0.276CS..EExtended strand (participates in β ladder)trans-87.6106170.8-540000109.1Q345 T346 L347 Y388 P397 I398Q345-T386 PolarHBondContact O-N 2.69Å; T346-T386 CarbonylContact C-O 3.54Å; T346-T386 VanDerWaalsContact CA-O 3.3Å; T346-T386 WeakPolarHBondContact CA-O 3.29Å; L347-T386 PolarHBondContact N-O 3.19Å; T386-Y388 HydrophobicContact CG2-CD2 4.4Å; T386-Y388 HydrophobicContact CG2-CE2 3.88Å; T386-P397 HydrophobicContact CG2-CB 3.55Å; T386-I398 CarbonylContact C-O 3.58Å
387E95.7Very high94.3Very high6 Ų652.1 Ų52.13%0.02830%0.3CS..EExtended strand (participates in β ladder)trans-86.5120.4172.4-63.9-171.9170.200109.7L347 L349 R369 Y373 P397 I398 A400L347-E387 CarbonylContact O-C 3.59Å; L347-E387 WeakPolarHBondContact O-CA 3.45Å; L349-E387 HydrophobicContact CD1-CB 4.25Å; R369-E387 IonicContact CZ-OE1 2.92Å; R369-E387 IonicContact CZ-OE2 3.75Å; R369-E387 IonicContact NE-OE1 2.84Å; R369-E387 PolarHBondContact NE-OE1 3.04Å; R369-E387 IonicContact NE-OE2 3.97Å; R369-E387 IonicContact NH2-OE1 3.7Å; R369-E387 PolarHBondContact NH2-OE1 3.05Å; R369-E387 IonicContact NH2-OE2 2.76Å; R369-E387 PolarHBondContact NH2-OE2 2.99Å; Y373-E387 VanDerWaalsContact CE2-OE1 3.26Å; Y373-E387 WeakPolarHBondContact CE2-OE1 3.38Å; Y373-E387 PolarHBondContact OH-OE1 3.08Å; E387-P397 CarbonylContact O-C 3.6Å; E387-P397 WeakPolarHBondContact O-CA 3.41Å; E387-I398 PolarHBondContact N-O 3.17Å; E387-I398 PolarHBondContact O-N 3.02Å; E387-A400 HydrophobicContact CG-CB 3.96Å
388Y95.3Very high94.4Very high30 Ų3055.3 Ų55.312%0.11832%0.316CS..EExtended strand (participates in β ladder)trans-83.9120.8162.4-73.1-93.5000108.4F88 L92 T346 L347 F348 L349 T386 Y395 Q396 P397F88-Y388 HydrophobicContact CE2-CE2 4.18Å; F88-Y388 HydrophobicContact CZ-CE1 4.23Å; F88-Y388 AromaticContact CZ-CE2 3.96Å; F88-Y388 HydrophobicContact CZ-CE2 3.96Å; F88-Y388 AromaticContact CZ-CZ 3.61Å; F88-Y388 WeakPolarHBondContact CZ-OH 3.31Å; L92-Y388 HydrophobicContact CD2-CD1 3.47Å; L92-Y388 VanDerWaalsContact CD2-CD1 3.47Å; L92-Y388 HydrophobicContact CD2-CE1 3.7Å; L92-Y388 HydrophobicContact CD2-CG 4.16Å; T346-Y388 HydrophobicContact CG2-CD2 3.72Å; T346-Y388 HydrophobicContact CG2-CE2 3.63Å; L347-Y388 PolarHBondContact O-N 2.94Å; F348-Y388 AromaticContact CD1-CD2 3.97Å; F348-Y388 HydrophobicContact CD1-CD2 3.97Å; F348-Y388 AromaticContact CD1-CG 3.84Å; F348-Y388 HydrophobicContact CD1-CG 3.84Å; F348-Y388 HydrophobicContact CE1-CD1 4.37Å; F348-Y388 AromaticContact CE1-CD2 3.72Å; F348-Y388 HydrophobicContact CE1-CD2 3.72Å; F348-Y388 HydrophobicContact CE1-CE2 4.3Å; F348-Y388 AromaticContact CE1-CG 3.78Å; F348-Y388 HydrophobicContact CE1-CG 3.78Å; F348-Y388 HydrophobicContact CZ-CD2 4.4Å; L349-Y388 WeakPolarHBondContact CB-O 3.49Å; L349-Y388 PolarHBondContact N-O 3.03Å; T386-Y388 HydrophobicContact CG2-CD2 4.4Å; T386-Y388 HydrophobicContact CG2-CE2 3.88Å; Y388-Y395 VanDerWaalsContact CB-CE1 3.47Å; Y388-Y395 HydrophobicContact CD1-CE1 4.43Å; Y388-Y395 HydrophobicContact CG-CE1 4.31Å; Y388-Y395 WeakPolarHBondContact O-CE2 3.26Å; Y388-Y395 PolarHBondContact O-OH 3.22Å; Y388-Q396 WeakPolarHBondContact CA-O 3.34Å; Y388-P397 HydrophobicContact CD1-CB 4.14Å; Y388-P397 HydrophobicContact CE1-CB 3.71Å; Y388-P397 HydrophobicContact CE1-CG 3.99Å; Y388-P397 HydrophobicContact CE2-CB 4.31Å
389T95.9Very high94.5Very high10 Ų1056.3 Ų56.36%0.06133%0.328CS..EExtended strand (participates in β ladder)trans-141.3165.4-175.6-163.90000111.3C360 V391 Y395 Q396 I398C360-T389 PolarHBondContact SG-OG1 3.34Å; T389-V391 HydrophobicContact CG2-CG2 4.4Å; T389-Y395 WeakPolarHBondContact O-CA 3.47Å; T389-Y395 WeakPolarHBondContact O-CD2 3.49Å; T389-Q396 PolarHBondContact N-O 2.92Å; T389-Q396 PolarHBondContact O-N 3.23Å; T389-I398 HydrophobicContact CG2-CD1 3.4Å; T389-I398 VanDerWaalsContact CG2-CD1 3.4Å; T389-I398 HydrophobicContact CG2-CG1 3.96Å
390R95.3Very high94.7Very high7 Ų753 Ų533%0.02629%0.293CS..EExtended strand (participates in β ladder)trans-74.6127.6176-174-163.657.578.1-5.4110.4I99 I351 E354 I356 L358 H359 C360 H392 T394I99-R390 HydrophobicContact CD1-CB 4.43Å; I99-R390 HydrophobicContact CD1-CG 3.95Å; I99-R390 HydrophobicContact CG1-CG 4.21Å; I351-R390 HydrophobicContact CD1-CB 3.95Å; E354-R390 WeakPolarHBondContact OE1-CD 3.22Å; E354-R390 IonicContact OE1-CZ 3.03Å; E354-R390 IonicContact OE1-NE 3.38Å; E354-R390 PolarHBondContact OE1-NE 3.1Å; E354-R390 IonicContact OE1-NH2 3.8Å; E354-R390 IonicContact OE2-CZ 3.97Å; E354-R390 IonicContact OE2-NE 2.8Å; E354-R390 PolarHBondContact OE2-NE 2.88Å; E354-R390 VanDerWaalsContact OE2-NE 3.11Å; E354-R390 IonicContact OE2-NH2 3.34Å; E354-R390 PolarHBondContact OE2-NH2 3.05Å; I356-R390 PolarHBondContact O-NH1 3.15Å; L358-R390 PolarHBondContact O-NH1 2.98Å; L358-R390 PolarHBondContact O-NH2 3.05Å; H359-R390 PolarHBondContact O-NH2 3.05Å; C360-R390 VanDerWaalsContact N-NH2 3.17Å; R390-H392 WeakPolarHBondContact CD-O 2.99Å; R390-H392 VanDerWaalsContact CG-O 3.24Å; R390-H392 WeakPolarHBondContact CG-O 3.42Å; R390-H392 PolarHBondContact NH1-O 3.24Å; R390-H392 VanDerWaalsContact NH1-O 3.07Å; R390-T394 WeakPolarHBondContact CA-O 3.45Å
391V93.7Very high94.9Very high41 Ų4154 Ų5425%0.24831%0.307CS..EExtended strand (participates in β ladder)trans-124.3108.8168.1-179.50000107.4T389 D393 T394 Q396 I398T389-V391 HydrophobicContact CG2-CG2 4.4Å; V391-D393 PolarHBondContact O-N 2.92Å; V391-T394 PolarHBondContact N-O 3.03Å; V391-T394 PolarHBondContact O-N 3.39Å; V391-T394 PolarHBondContact O-OG1 3.22Å; V391-Q396 HydrophobicContact CG2-CB 4.33Å; V391-I398 HydrophobicContact CG2-CD1 4.06Å
392H89.1Confident95Very high126 Ų12652.4 Ų52.458%0.58329%0.285SS*.THydrogen-bonded Turntrans54.6-117.5-169.5-56.595000111.4R390R390-H392 WeakPolarHBondContact CD-O 2.99Å; R390-H392 VanDerWaalsContact CG-O 3.24Å; R390-H392 WeakPolarHBondContact CG-O 3.42Å; R390-H392 PolarHBondContact NH1-O 3.24Å; R390-H392 VanDerWaalsContact NH1-O 3.07Å
393D87.6Confident95.1Very high111 Ų11153 Ų5359%0.59429%0.285SS*.THydrogen-bonded Turntrans-97.46.6177.763.1-24.5000113.2V391V391-D393 PolarHBondContact O-N 2.92Å
394T92.3Very high94.9Very high49 Ų4953.3 Ų53.330%0.30129%0.292SS..EExtended strand (participates in β ladder)trans-113.9167-178.969.70000112.3I99 R390 V391 Q396I99-T394 WeakPolarHBondContact CD1-O 3.5Å; R390-T394 WeakPolarHBondContact CA-O 3.45Å; V391-T394 PolarHBondContact N-O 3.03Å; V391-T394 PolarHBondContact O-N 3.39Å; V391-T394 PolarHBondContact O-OG1 3.22Å; T394-Q396 WeakPolarHBondContact OG1-CG 3.41Å; T394-Q396 PolarHBondContact OG1-NE2 3.14Å
395Y94.2Very high94.8Very high12 Ų1256.7 Ų56.75%0.04731%0.307CS..EExtended strand (participates in β ladder)trans-123.4115.1176.4-164.5-121.2000109.2L92 H95 I99 F348 L349 I351 Y388 T389L92-Y395 HydrophobicContact CD2-CD1 3.78Å; L92-Y395 HydrophobicContact CD2-CE1 3.97Å; H95-Y395 HydrophobicContact CB-CD1 3.56Å; H95-Y395 HydrophobicContact CB-CD2 4.21Å; H95-Y395 HydrophobicContact CB-CE1 3.41Å; H95-Y395 VanDerWaalsContact CB-CE1 3.41Å; H95-Y395 HydrophobicContact CB-CE2 4.12Å; H95-Y395 HydrophobicContact CB-CG 3.95Å; H95-Y395 AromaticContact CD2-CE1 3.91Å; H95-Y395 AromaticContact CD2-CE2 3.98Å; H95-Y395 AromaticContact CD2-CZ 3.44Å; H95-Y395 VanDerWaalsContact CD2-CZ 3.44Å; H95-Y395 PolarHBondContact CD2-OH 3.24Å; H95-Y395 AromaticContact CG-CE1 3.58Å; H95-Y395 AromaticContact CG-CZ 3.62Å; I99-Y395 HydrophobicContact CD1-CD2 4.4Å; F348-Y395 VanDerWaalsContact CA-OH 3.31Å; F348-Y395 WeakPolarHBondContact CA-OH 3.24Å; F348-Y395 WeakPolarHBondContact CB-OH 3.28Å; F348-Y395 AromaticContact CD1-CE1 3.85Å; F348-Y395 HydrophobicContact CD1-CE1 3.85Å; F348-Y395 HydrophobicContact CE1-CE1 4.48Å; L349-Y395 PolarHBondContact N-OH 3.29Å; L349-Y395 PolarHBondContact O-OH 2.94Å; I351-Y395 HydrophobicContact CD1-CD2 3.94Å; I351-Y395 HydrophobicContact CD1-CE2 3.89Å; Y388-Y395 VanDerWaalsContact CB-CE1 3.47Å; Y388-Y395 HydrophobicContact CD1-CE1 4.43Å; Y388-Y395 HydrophobicContact CG-CE1 4.31Å; Y388-Y395 WeakPolarHBondContact O-CE2 3.26Å; Y388-Y395 PolarHBondContact O-OH 3.22Å; T389-Y395 WeakPolarHBondContact O-CA 3.47Å; T389-Y395 WeakPolarHBondContact O-CD2 3.49Å
396Q94.7Very high94.7Very high87 Ų8757.2 Ų57.241%0.40731%0.311SS..EExtended strand (participates in β ladder)trans-136.7150.2-165-60.3-173.26.400111.9Y388 T389 V391 T394Y388-Q396 WeakPolarHBondContact CA-O 3.34Å; T389-Q396 PolarHBondContact N-O 2.92Å; T389-Q396 PolarHBondContact O-N 3.23Å; V391-Q396 HydrophobicContact CG2-CB 4.33Å; T394-Q396 WeakPolarHBondContact OG1-CG 3.41Å; T394-Q396 PolarHBondContact OG1-NE2 3.14Å
397P95.6Very high94.7Very high75 Ų7556.6 Ų56.649%0.48731%0.307SS..EExtended strand (participates in β ladder)trans-75136.517329.7-32.1000111.9T386 E387 Y388T386-P397 HydrophobicContact CG2-CB 3.55Å; E387-P397 CarbonylContact O-C 3.6Å; E387-P397 WeakPolarHBondContact O-CA 3.41Å; Y388-P397 HydrophobicContact CD1-CB 4.14Å; Y388-P397 HydrophobicContact CE1-CB 3.71Å; Y388-P397 HydrophobicContact CE1-CG 3.99Å; Y388-P397 HydrophobicContact CE2-CB 4.31Å
398I96.3Very high94.7Very high69 Ų6957.2 Ų57.235%0.35431%0.312SS..EExtended strand (participates in β ladder)trans-130.5143.1172.1-57.3-175.2000108.2T386 E387 T389 V391T386-I398 CarbonylContact C-O 3.58Å; E387-I398 PolarHBondContact N-O 3.17Å; E387-I398 PolarHBondContact O-N 3.02Å; T389-I398 HydrophobicContact CG2-CD1 3.4Å; T389-I398 VanDerWaalsContact CG2-CD1 3.4Å; T389-I398 HydrophobicContact CG2-CG1 3.96Å; V391-I398 HydrophobicContact CG2-CD1 4.06Å
399V97.3Very high94.6Very high99 Ų9956.9 Ų56.960%0.631%0.312SS*.EExtended strand (participates in β ladder)trans-87.7125.8177.8-178.70000110.1V384V384-V399 HydrophobicContact CB-CG1 3.85Å; V384-V399 HydrophobicContact CG1-CG1 3.92Å
400A96.9Very high94.4Very high5 Ų560.1 Ų60.14%0.04134%0.335CS..EExtended strand (participates in β ladder)trans-111.6131.3172.400000110.3Y373 V384 V385 E387Y373-A400 HydrophobicContact CD2-CB 4.48Å; Y373-A400 HydrophobicContact CE2-CB 3.95Å; V384-A400 CarbonylContact C-O 3.54Å; V384-A400 WeakPolarHBondContact CA-O 3.42Å; V385-A400 PolarHBondContact N-O 3.33Å; V385-A400 PolarHBondContact O-N 2.97Å; E387-A400 HydrophobicContact CG-CB 3.96Å
401A97.1Very high94.4Very high69 Ų6964 Ų6457%0.5735%0.354SS*.EExtended strand (participates in β ladder)trans-81.2149.3176.100000111.5
402V97Very high94.5Very high21 Ų2162.1 Ų62.113%0.12734%0.342CS..PPolyproline II helixtrans-78.5154.5171.8-55.70000111.4L377 R383 E404L377-V402 HydrophobicContact CD1-CG1 3.83Å; R383-V402 HydrophobicContact CB-CG2 4.29Å; R383-V402 WeakPolarHBondContact O-CG1 3.16Å; R383-V402 WeakPolarHBondContact O-CG2 3.36Å; R383-V402 PolarHBondContact O-N 3.11Å; R383-V402 VanDerWaalsContact O-N 3.09Å; V402-E404 HydrophobicContact CG2-CG 4.24Å
403K95.9Very high94.7Very high70 Ų7059.5 Ų59.530%0.30434%0.342SS..PPolyproline II helixtrans-82.8121.4160.7-170.5-174.6173.894.20108.8A370 I371 G374 V406 N427A370-K403 HydrophobicContact CB-CB 4.47Å; A370-K403 PolarHBondContact O-N 3.39Å; I371-K403 HydrophobicContact CG1-CD 3.66Å; G374-K403 VanDerWaalsContact CA-O 3.31Å; G374-K403 WeakPolarHBondContact CA-O 3.3Å; K403-V406 HydrophobicContact CB-CG1 4.1Å; K403-V406 HydrophobicContact CD-CG1 3.72Å; K403-V406 HydrophobicContact CG-CG1 3.97Å; K403-V406 WeakPolarHBondContact O-CG2 3.31Å; K403-N427 VanDerWaalsContact CE-OD1 3.25Å; K403-N427 WeakPolarHBondContact CE-OD1 3.3Å; K403-N427 PolarHBondContact NZ-OD1 3.34Å
404E93.8Very high95.1Very high128 Ų12860.9 Ų60.960%0.59835%0.349SS*.SBendtrans-80.8-36.1-173.6-59.7-165.2161.100114K378 R383 V402 V406K378-E404 PolarHBondContact NZ-O 2.58Å; R383-E404 IonicContact NE-OE1 3.83Å; V402-E404 HydrophobicContact CG2-CG 4.24Å; E404-V406 VanDerWaalsContact C-N 3.25Å; E404-V406 PolarHBondContact O-N 2.6Å
405D93.5Very high95.3Very high144 Ų14461.2 Ų61.277%0.7735%0.349SS*.SBendtrans-82.669.8179.5-172.530.7000111.1
406V95.6Very high95.5Very high11 Ų1163.2 Ų63.27%0.06737%0.365CS..SBendtrans-143.1152.9176.1-60.40000109.9I371 I375 K378 K403 E404I371-V406 HydrophobicContact CG2-CG1 4Å; I375-V406 HydrophobicContact CG1-CB 3.95Å; I375-V406 HydrophobicContact CG1-CG2 3.95Å; K378-V406 PolarHBondContact NZ-O 2.95Å; K403-V406 HydrophobicContact CB-CG1 4.1Å; K403-V406 HydrophobicContact CD-CG1 3.72Å; K403-V406 HydrophobicContact CG-CG1 3.97Å; K403-V406 WeakPolarHBondContact O-CG2 3.31Å; E404-V406 VanDerWaalsContact C-N 3.25Å; E404-V406 PolarHBondContact O-N 2.6Å
407P96.3Very high95.5Very high19 Ų1964.3 Ų64.312%0.12337%0.368CS..  trans-70.4160.1177.330.7-37.4000112.3E411 I412 L415 I423P407-E411 VanDerWaalsContact CA-OE2 3.27Å; P407-E411 WeakPolarHBondContact CA-OE2 3.29Å; P407-E411 HydrophobicContact CB-CB 4Å; P407-I412 HydrophobicContact CB-CG1 4.1Å; P407-I412 HydrophobicContact CG-CD1 4.28Å; P407-I412 HydrophobicContact CG-CG1 3.72Å; P407-L415 HydrophobicContact CB-CD1 4.21Å; P407-L415 HydrophobicContact CG-CD1 4.05Å; P407-I423 HydrophobicContact CG-CD1 3.74Å
408S94.9Very high95.5Very high19 Ų1965.3 Ų65.313%0.13337%0.369CS..  trans-75.6161.1165.470.60000112S410 E411 I412S408-S410 PolarHBondContact O-N 3.36Å; S408-E411 PolarHBondContact N-OE2 2.96Å; S408-E411 PolarHBondContact O-N 2.81Å; S408-E411 VanDerWaalsContact O-N 3.09Å; S408-E411 VanDerWaalsContact OG-CG 3.3Å; S408-E411 WeakPolarHBondContact OG-CG 3.34Å; S408-E411 PolarHBondContact OG-N 3.23Å; S408-E411 PolarHBondContact OG-OE1 2.73Å; S408-I412 WeakPolarHBondContact O-CG1 3.3Å; S408-I412 PolarHBondContact O-N 2.77Å; S408-I412 VanDerWaalsContact O-N 3.16Å
409M93.4Very high95.4Very high23 Ų2365 Ų6511%0.11337%0.368CS..Hα-helixtrans-54.7-33.9174.1-67.7-175.1-75.700113.1F319 P320 I375 M376 L530F319-M409 HydrophobicContact CD1-CE 3.76Å; F319-M409 HydrophobicContact CD1-SD 3.84Å; F319-M409 HydrophobicContact CE1-CE 3.99Å; F319-M409 HydrophobicContact CE1-SD 4.07Å; P320-M409 HydrophobicContact CG-CB 3.79Å; I375-M409 HydrophobicContact CG2-CG 3.83Å; M376-M409 HydrophobicContact SD-CE 4.5Å; M376-M409 HydrophobicContact SD-SD 3.77Å; M409-L530 HydrophobicContact CG-CD1 4.1Å; M409-L530 HydrophobicContact SD-CD1 4.3Å
410S91.9Very high95.3Very high78 Ų7862.1 Ų62.155%0.54535%0.347SS..Hα-helixtrans-76.4-32.4178.4-560000112.9S408S408-S410 PolarHBondContact O-N 3.36Å
411E95.6Very high95.2Very high89 Ų8965.4 Ų65.442%0.41636%0.358SS..Hα-helixtrans-71.9-32.1177.4-76.9151-140.200112.5P407 S408 A413 N414 L415P407-E411 VanDerWaalsContact CA-OE2 3.27Å; P407-E411 WeakPolarHBondContact CA-OE2 3.29Å; P407-E411 HydrophobicContact CB-CB 4Å; S408-E411 PolarHBondContact N-OE2 2.96Å; S408-E411 PolarHBondContact O-N 2.81Å; S408-E411 VanDerWaalsContact O-N 3.09Å; S408-E411 VanDerWaalsContact OG-CG 3.3Å; S408-E411 WeakPolarHBondContact OG-CG 3.34Å; S408-E411 PolarHBondContact OG-N 3.23Å; S408-E411 PolarHBondContact OG-OE1 2.73Å; E411-A413 PolarHBondContact O-N 3.2Å; E411-N414 WeakPolarHBondContact O-CB 3.4Å; E411-N414 PolarHBondContact O-N 2.73Å; E411-L415 PolarHBondContact O-N 3.26Å
412I96.5Very high95Very high1 Ų166.7 Ų66.71%0.00535%0.351CS..Hα-helixtrans-55.3-38.1-176.7-74.5165.6000111.9I375 P407 S408 N414 L415 R420 L531 I532I375-I412 HydrophobicContact CD1-CD1 4.28Å; I375-I412 HydrophobicContact CG2-CD1 3.61Å; P407-I412 HydrophobicContact CB-CG1 4.1Å; P407-I412 HydrophobicContact CG-CD1 4.28Å; P407-I412 HydrophobicContact CG-CG1 3.72Å; S408-I412 WeakPolarHBondContact O-CG1 3.3Å; S408-I412 PolarHBondContact O-N 2.77Å; S408-I412 VanDerWaalsContact O-N 3.16Å; I412-N414 PolarHBondContact O-N 2.77Å; I412-L415 WeakPolarHBondContact O-CB 3.47Å; I412-L415 PolarHBondContact O-N 2.93Å; I412-L415 VanDerWaalsContact O-N 3.14Å; I412-R420 WeakPolarHBondContact O-CD 3.46Å; I412-L531 HydrophobicContact CD1-CD2 3.83Å; I412-L531 HydrophobicContact CG1-CD2 4.05Å; I412-L531 HydrophobicContact CG2-CD2 4.35Å; I412-I532 HydrophobicContact CG2-CD1 3.86Å; I412-I532 HydrophobicContact CG2-CG1 3.92Å
413A92.9Very high94.8Very high70 Ų7066.9 Ų66.958%0.57935%0.351SS*.THydrogen-bonded Turntrans-63.4-24.1178.600000113.4E411 I532E411-A413 PolarHBondContact O-N 3.2Å; A413-I532 HydrophobicContact CB-CD1 4.15Å
414N95.8Very high94.6Very high140 Ų14063.5 Ų63.575%0.74934%0.336SS*.THydrogen-bonded Turntrans-89.6-8.2179.7-58.3-37.2000112.8E411 I412E411-N414 WeakPolarHBondContact O-CB 3.4Å; E411-N414 PolarHBondContact O-N 2.73Å; I412-N414 PolarHBondContact O-N 2.77Å
415L97.2Very high94.5Very high56 Ų5657.6 Ų57.629%0.29331%0.309SS..SBendtrans-82.5142.4179.4-62.4179.6000111.5P407 E411 I412 D419 R420 I423P407-L415 HydrophobicContact CB-CD1 4.21Å; P407-L415 HydrophobicContact CG-CD1 4.05Å; E411-L415 PolarHBondContact O-N 3.26Å; I412-L415 WeakPolarHBondContact O-CB 3.47Å; I412-L415 PolarHBondContact O-N 2.93Å; I412-L415 VanDerWaalsContact O-N 3.14Å; L415-D419 HydrophobicContact CB-CB 4.43Å; L415-R420 HydrophobicContact CB-CG 3.68Å; L415-R420 HydrophobicContact CD1-CG 4.25Å; L415-R420 PolarHBondContact O-NE 3.39Å; L415-I423 HydrophobicContact CD1-CD1 3.9Å
416S97.4Very high94.1Very high54 Ų5454.8 Ų54.838%0.37830%0.299SS..  trans-59.9156.8170.678.10000110.9D418 D419 R420S416-D418 PolarHBondContact O-N 3.43Å; S416-D419 PolarHBondContact O-N 2.85Å; S416-D419 PolarHBondContact OG-N 3.06Å; S416-D419 PolarHBondContact OG-OD2 3.45Å; S416-R420 WeakPolarHBondContact O-CG 3.28Å; S416-R420 PolarHBondContact O-N 3.03Å
417K95.7Very high93.3Very high111 Ų11156.9 Ų56.948%0.48331%0.31SS..Hα-helixtrans-56.2-38.7175.4-173.5177.4-179.8178.20111.3R420 R421 P534K417-R420 PolarHBondContact O-N 3.02Å; K417-R421 WeakPolarHBondContact O-CG 3.43Å; K417-R421 PolarHBondContact O-N 3.16Å; K417-P534 WeakPolarHBondContact CE-O 3.38Å; K417-P534 HydrophobicContact CG-CB 4.43Å
418D94Very high92.5Very high95 Ų9556.6 Ų56.651%0.50831%0.307SS..Hα-helixtrans-71.2-37.8-179.1-66.4-29.9000112.6S416 R420 R421 K422S416-D418 PolarHBondContact O-N 3.43Å; D418-R420 VanDerWaalsContact C-N 3.3Å; D418-R420 PolarHBondContact O-N 3.49Å; D418-R421 WeakPolarHBondContact O-CB 3.39Å; D418-R421 PolarHBondContact O-N 2.81Å; D418-K422 WeakPolarHBondContact O-CG 3.34Å; D418-K422 PolarHBondContact O-N 3.07Å
419D95Very high91.7Very high62 Ų6261 Ų6133%0.33234%0.338SS..Hα-helixtrans-67-35.8174.9-61.5-39.7000111.3L415 S416 K422 I423L415-D419 HydrophobicContact CB-CB 4.43Å; S416-D419 PolarHBondContact O-N 2.85Å; S416-D419 PolarHBondContact OG-N 3.06Å; S416-D419 PolarHBondContact OG-OD2 3.45Å; D419-K422 PolarHBondContact O-N 3.37Å; D419-K422 IonicContact OD1-NZ 2.85Å; D419-K422 PolarHBondContact OD1-NZ 3.08Å; D419-I423 WeakPolarHBondContact O-CG1 3.31Å; D419-I423 PolarHBondContact O-N 3.24Å
420R95.6Very high91.2Very high39 Ų3960.5 Ų60.515%0.14734%0.335CS..Hα-helixtrans-64.5-38.7171.3-65.4-176.5-70.4136.3-12.6111.9I412 L415 S416 K417 D418 I423 L531 I532 P534I412-R420 WeakPolarHBondContact O-CD 3.46Å; L415-R420 HydrophobicContact CB-CG 3.68Å; L415-R420 HydrophobicContact CD1-CG 4.25Å; L415-R420 PolarHBondContact O-NE 3.39Å; S416-R420 WeakPolarHBondContact O-CG 3.28Å; S416-R420 PolarHBondContact O-N 3.03Å; K417-R420 PolarHBondContact O-N 3.02Å; D418-R420 VanDerWaalsContact C-N 3.3Å; D418-R420 PolarHBondContact O-N 3.49Å; R420-I423 PolarHBondContact O-N 3.45Å; R420-L531 VanDerWaalsContact CD-O 3.29Å; R420-L531 WeakPolarHBondContact CD-O 3.16Å; R420-L531 PolarHBondContact NH1-O 3.19Å; R420-I532 PolarHBondContact NH1-O 3.23Å; R420-P534 HydrophobicContact CB-CB 3.8Å; R420-P534 HydrophobicContact CB-CG 4.06Å
421R94.3Very high90.7Very high74 Ų7459.5 Ų59.528%0.27933%0.327SS..Hα-helixtrans-63.3-41.6172-70.5179.1168.1-174.4-12.3112.4K417 D418 I423 L424 T425 P534 F535K417-R421 WeakPolarHBondContact O-CG 3.43Å; K417-R421 PolarHBondContact O-N 3.16Å; D418-R421 WeakPolarHBondContact O-CB 3.39Å; D418-R421 PolarHBondContact O-N 2.81Å; R421-I423 VanDerWaalsContact C-N 3.27Å; R421-I423 PolarHBondContact O-N 2.94Å; R421-L424 WeakPolarHBondContact O-CB 3.38Å; R421-L424 PolarHBondContact O-N 3.24Å; R421-T425 PolarHBondContact O-N 2.79Å; R421-T425 PolarHBondContact O-OG1 3.43Å; R421-P534 HydrophobicContact CG-CB 3.79Å; R421-P534 PolarHBondContact NE-O 3.01Å; R421-P534 PolarHBondContact NH2-O 3.09Å; R421-F535 HydrophobicContact CB-CE2 3.88Å; R421-F535 HydrophobicContact CB-CZ 3.74Å; R421-F535 HydrophobicContact CG-CD2 4.26Å; R421-F535 HydrophobicContact CG-CE1 4.1Å; R421-F535 HydrophobicContact CG-CE2 3.68Å; R421-F535 HydrophobicContact CG-CZ 3.59Å
422K93Very high89.9Confident96 Ų9658.4 Ų58.442%0.41733%0.328SS..Hα-helixtrans-60.2-35.1178.7-72.8172.4-162.2159.30112.7D418 D419 L424 T425 C426D418-K422 WeakPolarHBondContact O-CG 3.34Å; D418-K422 PolarHBondContact O-N 3.07Å; D419-K422 PolarHBondContact O-N 3.37Å; D419-K422 IonicContact OD1-NZ 2.85Å; D419-K422 PolarHBondContact OD1-NZ 3.08Å; K422-L424 PolarHBondContact O-N 2.94Å; K422-T425 WeakPolarHBondContact CA-OG1 3.25Å; K422-T425 PolarHBondContact O-N 3.36Å; K422-C426 VanDerWaalsContact O-CB 3.23Å; K422-C426 WeakPolarHBondContact O-CB 3.49Å; K422-C426 PolarHBondContact O-N 3.45Å; K422-C426 PolarHBondContact O-SG 2.93Å
423I93.2Very high89.3Confident25 Ų2564.8 Ų64.813%0.12836%0.357CS..Hα-helixtrans-58.6-37.6174.6-64.7167.1000110.9I371 P407 L415 D419 R420 R421 N427 L531I371-I423 HydrophobicContact CG2-CG2 4.16Å; P407-I423 HydrophobicContact CG-CD1 3.74Å; L415-I423 HydrophobicContact CD1-CD1 3.9Å; D419-I423 WeakPolarHBondContact O-CG1 3.31Å; D419-I423 PolarHBondContact O-N 3.24Å; R420-I423 PolarHBondContact O-N 3.45Å; R421-I423 VanDerWaalsContact C-N 3.27Å; R421-I423 PolarHBondContact O-N 2.94Å; I423-N427 PolarHBondContact O-ND2 2.84Å; I423-L531 HydrophobicContact CB-CD1 4.05Å; I423-L531 HydrophobicContact CD1-CD2 3.8Å; I423-L531 HydrophobicContact CG2-CD1 3.91Å; I423-L531 HydrophobicContact CG2-CD2 4.3Å
424L91.5Very high89Confident0 Ų064.5 Ų64.50%035%0.346CS..Hα-helixtrans-77.6-34.1177-83.7161.8000113.5R421 K422 F428 I524 L527 N528 L531 P534 F535R421-L424 WeakPolarHBondContact O-CB 3.38Å; R421-L424 PolarHBondContact O-N 3.24Å; K422-L424 PolarHBondContact O-N 2.94Å; L424-F428 WeakPolarHBondContact O-CD2 3.49Å; L424-I524 HydrophobicContact CD2-CD1 4.04Å; L424-I524 HydrophobicContact CD2-CG1 3.42Å; L424-I524 VanDerWaalsContact CD2-CG1 3.42Å; L424-L527 HydrophobicContact CD2-CB 4.11Å; L424-L527 HydrophobicContact CD2-CD2 3.53Å; L424-L527 HydrophobicContact CD2-CG 3.75Å; L424-L527 HydrophobicContact CG-CD2 4.18Å; L424-L527 HydrophobicContact CG-CG 4.24Å; L424-N528 HydrophobicContact CD1-CB 4.38Å; L424-L531 HydrophobicContact CD1-CD1 3.94Å; L424-L531 HydrophobicContact CG-CD1 3.83Å; L424-P534 HydrophobicContact CD1-CG 3.99Å; L424-F535 HydrophobicContact CB-CE2 3.96Å; L424-F535 HydrophobicContact CD1-CD2 3.57Å; L424-F535 HydrophobicContact CD1-CE2 3.69Å; L424-F535 HydrophobicContact CG-CE2 4.48Å
425T91.2Very high88.8Confident3 Ų358.2 Ų58.22%0.01831%0.313CS..Hα-helixtrans-96.9-41.1-171.457.70000114.5R421 K422 N427 F428 F430 L447 F535R421-T425 PolarHBondContact O-N 2.79Å; R421-T425 PolarHBondContact O-OG1 3.43Å; K422-T425 WeakPolarHBondContact CA-OG1 3.25Å; K422-T425 PolarHBondContact O-N 3.36Å; T425-N427 PolarHBondContact O-N 3.12Å; T425-N427 VanDerWaalsContact O-N 3.15Å; T425-F428 PolarHBondContact O-N 2.7Å; T425-F430 HydrophobicContact CG2-CD1 4.04Å; T425-L447 HydrophobicContact CG2-CD1 4.44Å; T425-L447 HydrophobicContact CG2-CD2 3.95Å; T425-F535 HydrophobicContact CG2-CZ 4.07Å
426C85.5Confident88.6Confident85 Ų8561.3 Ų61.357%0.57433%0.33SS*.G310 helixtrans-64.7-23.6-174.1-69.30000113.2K422 F428K422-C426 VanDerWaalsContact O-CB 3.23Å; K422-C426 WeakPolarHBondContact O-CB 3.49Å; K422-C426 PolarHBondContact O-N 3.45Å; K422-C426 PolarHBondContact O-SG 2.93Å; C426-F428 PolarHBondContact O-N 3.23Å
427N77.5Confident88.3Confident55 Ų5561 Ų6129%0.29433%0.33SS..G310 helixtrans-74.1-7.7-179.6-76.6-73.3000114.2I371 K403 I423 T425I371-N427 HydrophobicContact CD1-CB 4.02Å; K403-N427 VanDerWaalsContact CE-OD1 3.25Å; K403-N427 WeakPolarHBondContact CE-OD1 3.3Å; K403-N427 PolarHBondContact NZ-OD1 3.34Å; I423-N427 PolarHBondContact O-ND2 2.84Å; T425-N427 PolarHBondContact O-N 3.12Å; T425-N427 VanDerWaalsContact O-N 3.15Å
428F79.8Confident88.3Confident14 Ų1456.1 Ų56.16%0.06131%0.309CS..G310 helixtrans-13828.7-166.7-56.2-79.5000114.7P367 L368 I371 L424 T425 C426 F430 M451 Q454P367-F428 HydrophobicContact CB-CE1 3.95Å; P367-F428 HydrophobicContact CB-CZ 4.35Å; L368-F428 HydrophobicContact CD2-CE2 3.83Å; L368-F428 HydrophobicContact CD2-CZ 3.76Å; L368-F428 HydrophobicContact CG-CE2 4.39Å; L368-F428 HydrophobicContact CG-CZ 3.84Å; I371-F428 HydrophobicContact CD1-CE2 4.18Å; I371-F428 HydrophobicContact CD1-CZ 4.24Å; L424-F428 WeakPolarHBondContact O-CD2 3.49Å; T425-F428 PolarHBondContact O-N 2.7Å; C426-F428 PolarHBondContact O-N 3.23Å; F428-F430 PolarHBondContact O-N 3.28Å; F428-M451 HydrophobicContact CB-CG 3.54Å; F428-M451 HydrophobicContact CB-SD 3.94Å; F428-M451 HydrophobicContact CD1-CB 4.2Å; F428-M451 HydrophobicContact CD1-CE 3.82Å; F428-M451 HydrophobicContact CD1-CG 3.52Å; F428-M451 HydrophobicContact CD1-SD 3.73Å; F428-M451 HydrophobicContact CD2-CE 3.85Å; F428-M451 HydrophobicContact CD2-CG 3.91Å; F428-M451 HydrophobicContact CD2-SD 3.16Å; F428-M451 WeakPolarHBondContact CD2-SD 3.27Å; F428-M451 HydrophobicContact CE1-CE 3.47Å; F428-M451 VanDerWaalsContact CE1-CE 3.47Å; F428-M451 HydrophobicContact CE1-CG 4.16Å; F428-M451 HydrophobicContact CE1-SD 3.96Å; F428-M451 HydrophobicContact CE2-CE 3.49Å; F428-M451 VanDerWaalsContact CE2-CE 3.49Å; F428-M451 HydrophobicContact CE2-CG 4.5Å; F428-M451 HydrophobicContact CE2-SD 3.44Å; F428-M451 WeakPolarHBondContact CE2-SD 3.4Å; F428-M451 HydrophobicContact CG-CB 4.49Å; F428-M451 HydrophobicContact CG-CE 3.99Å; F428-M451 HydrophobicContact CG-CG 3.37Å; F428-M451 HydrophobicContact CG-SD 3.31Å; F428-M451 WeakPolarHBondContact CG-SD 3.34Å; F428-M451 HydrophobicContact CZ-CE 3.3Å; F428-M451 HydrophobicContact CZ-SD 3.84Å; F428-Q454 PolarHBondContact O-NE2 3.42Å; F428-Q454 PolarHBondContact O-OE1 2.88Å; F428-Q454 VanDerWaalsContact O-OE1 3.11Å
429S79.2Confident88.4Confident110 Ų11052.4 Ų52.477%0.76929%0.29SS*.THydrogen-bonded Turntrans5241.8178.1-51.40000112.8
430F83Confident88.4Confident13 Ų1354 Ų546%0.05730%0.296CS..  trans-106128.6-179.2-167-79.5000109.5T425 F428 D434 L435 V446 L447 K450 I591T425-F430 HydrophobicContact CG2-CD1 4.04Å; F428-F430 PolarHBondContact O-N 3.28Å; F430-D434 HydrophobicContact CE1-CB 3.82Å; F430-D434 HydrophobicContact CZ-CB 3.71Å; F430-L435 HydrophobicContact CE1-CD1 3.95Å; F430-L435 HydrophobicContact CE1-CD2 4.2Å; F430-L435 HydrophobicContact CE1-CG 3.56Å; F430-L435 HydrophobicContact CZ-CD1 4.16Å; F430-L435 HydrophobicContact CZ-CD2 3.61Å; F430-L435 HydrophobicContact CZ-CG 3.52Å; F430-V446 HydrophobicContact CE2-CG1 4.31Å; F430-L447 HydrophobicContact CD1-CD2 3.89Å; F430-L447 HydrophobicContact CD2-CD2 3.56Å; F430-L447 HydrophobicContact CE1-CD2 3.99Å; F430-L447 HydrophobicContact CE2-CD2 3.64Å; F430-L447 HydrophobicContact CG-CD2 3.71Å; F430-L447 HydrophobicContact CZ-CD2 3.89Å; F430-K450 HydrophobicContact CD2-CB 4.35Å; F430-K450 HydrophobicContact CD2-CG 4.06Å; F430-I591 HydrophobicContact CD2-CG2 4.4Å; F430-I591 HydrophobicContact CE2-CG2 3.53Å; F430-I591 HydrophobicContact CZ-CG2 4.12Å
431C81.7Confident88.4Confident57 Ų5754.9 Ų54.939%0.38530%0.301SS..  trans-83.9124173.3-175.80000108.9H433 D434C431-H433 PolarHBondContact O-N 3.48Å; C431-D434 WeakPolarHBondContact CB-OD2 3.41Å; C431-D434 PolarHBondContact N-OD2 3.39Å; C431-D434 VanDerWaalsContact O-CB 3.25Å; C431-D434 WeakPolarHBondContact O-CB 3.44Å; C431-D434 PolarHBondContact O-N 2.89Å
432P77.5Confident88.6Confident67 Ų6751.4 Ų51.444%0.43529%0.289SS..G310 helixtrans-52.1-34.8-178.8-2935.9000114.3D434 L435P432-D434 PolarHBondContact O-N 3.12Å; P432-L435 PolarHBondContact O-N 3.24Å
433H85Confident88.8Confident134 Ų13447.8 Ų47.862%0.6227%0.273SS*.G310 helixtrans-67.6-18.3178.7-67.4-60.5000114.4C431 L435 D436C431-H433 PolarHBondContact O-N 3.48Å; H433-L435 PolarHBondContact O-N 3.14Å; H433-L435 VanDerWaalsContact O-N 3.17Å; H433-D436 WeakPolarHBondContact CA-OD2 3.49Å; H433-D436 IonicContact CE1-OD2 3.99Å; H433-D436 IonicContact CG-OD2 3.68Å; H433-D436 IonicContact ND1-OD2 2.89Å; H433-D436 PolarHBondContact ND1-OD2 3.21Å; H433-D436 WeakPolarHBondContact O-CB 3.39Å; H433-D436 PolarHBondContact O-N 3.21Å; H433-D436 VanDerWaalsContact O-N 3.08Å
434D86.4Confident88.9Confident65 Ų6546.7 Ų46.735%0.34827%0.267SS..G310 helixtrans-61.2-26.6177.5-64.8-22.5000111.3F430 C431 P432 I591F430-D434 HydrophobicContact CE1-CB 3.82Å; F430-D434 HydrophobicContact CZ-CB 3.71Å; C431-D434 WeakPolarHBondContact CB-OD2 3.41Å; C431-D434 PolarHBondContact N-OD2 3.39Å; C431-D434 VanDerWaalsContact O-CB 3.25Å; C431-D434 WeakPolarHBondContact O-CB 3.44Å; C431-D434 PolarHBondContact O-N 2.89Å; P432-D434 PolarHBondContact O-N 3.12Å; D434-I591 HydrophobicContact CB-CD1 4.02Å; D434-I591 HydrophobicContact CB-CG1 4.11Å; D434-I591 VanDerWaalsContact O-CD1 3.28Å; D434-I591 WeakPolarHBondContact O-CD1 3.34Å
435L91.8Very high89.2Confident7 Ų746.7 Ų46.74%0.03727%0.267CS..G310 helixtrans-83.6-15.1178.2-67.9176.9000114.2F430 P432 H433 A437 I438 H443 V446 L447 F535F430-L435 HydrophobicContact CE1-CD1 3.95Å; F430-L435 HydrophobicContact CE1-CD2 4.2Å; F430-L435 HydrophobicContact CE1-CG 3.56Å; F430-L435 HydrophobicContact CZ-CD1 4.16Å; F430-L435 HydrophobicContact CZ-CD2 3.61Å; F430-L435 HydrophobicContact CZ-CG 3.52Å; P432-L435 PolarHBondContact O-N 3.24Å; H433-L435 PolarHBondContact O-N 3.14Å; H433-L435 VanDerWaalsContact O-N 3.17Å; L435-A437 PolarHBondContact O-N 3.06Å; L435-I438 PolarHBondContact O-N 3.23Å; L435-I438 VanDerWaalsContact O-O 3.07Å; L435-H443 HydrophobicContact CD1-CB 4.13Å; L435-H443 HydrophobicContact CD2-CB 4.3Å; L435-H443 PolarHBondContact O-NE2 3.28Å; L435-H443 VanDerWaalsContact O-NE2 3.09Å; L435-V446 HydrophobicContact CD2-CB 4.32Å; L435-V446 HydrophobicContact CD2-CG1 4.23Å; L435-L447 HydrophobicContact CD1-CD1 4.19Å; L435-L447 HydrophobicContact CD1-CD2 4.37Å; L435-L447 HydrophobicContact CD1-CG 4.29Å; L435-F535 HydrophobicContact CD1-CE1 3.69Å; L435-F535 HydrophobicContact CD1-CZ 4.3Å
436D91.9Very high89.4Confident122 Ų12246.5 Ų46.565%0.65227%0.266SS*.THydrogen-bonded Turntrans-61.9-30-176-67.1-19.3000111.4H433H433-D436 WeakPolarHBondContact CA-OD2 3.49Å; H433-D436 IonicContact CE1-OD2 3.99Å; H433-D436 IonicContact CG-OD2 3.68Å; H433-D436 IonicContact ND1-OD2 2.89Å; H433-D436 PolarHBondContact ND1-OD2 3.21Å; H433-D436 WeakPolarHBondContact O-CB 3.39Å; H433-D436 PolarHBondContact O-N 3.21Å; H433-D436 VanDerWaalsContact O-N 3.08Å
437A91Very high89.9Confident47 Ų4742.6 Ų42.639%0.38824%0.24SC..THydrogen-bonded Turntrans-87.7-6.6178.200000114.2L435 K587L435-A437 PolarHBondContact O-N 3.06Å; A437-K587 HydrophobicContact CB-CD 4.48Å; A437-K587 WeakPolarHBondContact O-CD 3.5Å
438I95.5Very high90.8Very high9 Ų940 Ų405%0.04623%0.226CC..SBendtrans-107136.4-174-58.1-59000109.5L435 E440 L442 H443 V446 L584 K587 L588 I591L435-I438 PolarHBondContact O-N 3.23Å; L435-I438 VanDerWaalsContact O-O 3.07Å; I438-E440 PolarHBondContact O-N 3.19Å; I438-L442 HydrophobicContact CG2-CB 3.82Å; I438-H443 PolarHBondContact O-NE2 3.15Å; I438-V446 HydrophobicContact CG2-CG2 4.1Å; I438-L584 HydrophobicContact CD1-CD1 4.49Å; I438-K587 HydrophobicContact CD1-CB 3.65Å; I438-L588 HydrophobicContact CD1-CD2 3.99Å; I438-I591 HydrophobicContact CD1-CD1 4.11Å; I438-I591 HydrophobicContact CG1-CD1 3.74Å
439P96.4Very high91.6Very high16 Ų1639.3 Ų39.310%0.10422%0.223CC..  trans-53.7135.8172.9-26.235.1000112.3Q441 L442 H443 F577 M579P439-Q441 PolarHBondContact O-N 3.3Å; P439-L442 PolarHBondContact O-N 3.34Å; P439-H443 PolarHBondContact O-CD2 3.39Å; P439-H443 VanDerWaalsContact O-CD2 3.3Å; P439-F577 HydrophobicContact CB-CB 3.88Å; P439-F577 HydrophobicContact CB-CD1 4.22Å; P439-F577 HydrophobicContact CB-CD2 3.88Å; P439-F577 HydrophobicContact CB-CE2 4.49Å; P439-F577 HydrophobicContact CB-CG 3.73Å; P439-F577 HydrophobicContact CG-CB 3.49Å; P439-F577 VanDerWaalsContact CG-CB 3.49Å; P439-F577 HydrophobicContact CG-CD2 3.72Å; P439-F577 HydrophobicContact CG-CG 3.74Å; P439-M579 HydrophobicContact CG-CE 3.69Å
440E95.7Very high92.3Very high96 Ų9636.2 Ų36.245%0.44920%0.196SC..G310 helixtrans-57-28-175.957.1162.1-145.600114I438 L442 H443 R536I438-E440 PolarHBondContact O-N 3.19Å; E440-L442 PolarHBondContact O-N 3.46Å; E440-H443 PolarHBondContact O-N 3.49Å; E440-R536 WeakPolarHBondContact OE1-CD 3.41Å; E440-R536 IonicContact OE1-CZ 3.98Å; E440-R536 IonicContact OE1-NE 2.69Å; E440-R536 IonicContact OE1-NH1 3.71Å; E440-R536 PolarHBondContact OE1-NH1 3.21Å
441Q96.4Very high92.8Very high57 Ų5735.9 Ų35.927%0.26619%0.194SC..G310 helixtrans-62.9-23.3176.3-60.883.6-8.200112.3P439 F577P439-Q441 PolarHBondContact O-N 3.3Å; Q441-F577 HydrophobicContact CB-CE1 3.9Å; Q441-F577 HydrophobicContact CB-CZ 3.89Å; Q441-F577 HydrophobicContact CG-CE1 3.83Å; Q441-F577 HydrophobicContact CG-CZ 4.34Å
442L97.3Very high93.5Very high2 Ų233.1 Ų33.11%0.0118%0.176CC..G310 helixtrans-102.2-2.7-178.9-58.7-176.3000113.1I438 P439 E440 L444 F445 V446 L543 F577 L584I438-L442 HydrophobicContact CG2-CB 3.82Å; P439-L442 PolarHBondContact O-N 3.34Å; E440-L442 PolarHBondContact O-N 3.46Å; L442-L444 PolarHBondContact O-N 3.02Å; L442-F445 WeakPolarHBondContact O-CB 3.42Å; L442-F445 PolarHBondContact O-N 3.31Å; L442-F445 VanDerWaalsContact O-N 3.15Å; L442-V446 HydrophobicContact CB-CG2 4.44Å; L442-V446 WeakPolarHBondContact O-CG2 3.31Å; L442-V446 PolarHBondContact O-N 2.83Å; L442-L543 HydrophobicContact CD2-CD2 3.38Å; L442-F577 HydrophobicContact CD1-CD2 4.24Å; L442-F577 HydrophobicContact CD1-CE2 3.89Å; L442-F577 HydrophobicContact CD2-CE2 4.03Å; L442-F577 HydrophobicContact CD2-CZ 4.42Å; L442-F577 HydrophobicContact CG-CE2 3.87Å; L442-F577 HydrophobicContact CG-CZ 4.46Å; L442-L584 HydrophobicContact CD1-CD1 4.08Å; L442-L584 HydrophobicContact CD1-CD2 3.93Å; L442-L584 HydrophobicContact CD1-CG 4.49Å
443H96.4Very high94.3Very high20 Ų2031.2 Ų31.29%0.09316%0.163CC..Hα-helixtrans-58.3-53.3-173.9-74-175.4000112.7L435 I438 P439 E440 F445 V446 L447 F535L435-H443 HydrophobicContact CD1-CB 4.13Å; L435-H443 HydrophobicContact CD2-CB 4.3Å; L435-H443 PolarHBondContact O-NE2 3.28Å; L435-H443 VanDerWaalsContact O-NE2 3.09Å; I438-H443 PolarHBondContact O-NE2 3.15Å; P439-H443 PolarHBondContact O-CD2 3.39Å; P439-H443 VanDerWaalsContact O-CD2 3.3Å; E440-H443 PolarHBondContact O-N 3.49Å; H443-F445 VanDerWaalsContact C-N 3.29Å; H443-F445 PolarHBondContact O-N 3.12Å; H443-V446 PolarHBondContact O-N 3.31Å; H443-L447 WeakPolarHBondContact O-CB 3.43Å; H443-L447 VanDerWaalsContact O-CG 3.27Å; H443-L447 WeakPolarHBondContact O-CG 3.36Å; H443-L447 PolarHBondContact O-N 3.24Å; H443-F535 HydrophobicContact CB-CD1 3.89Å; H443-F535 HydrophobicContact CB-CE1 4.43Å; H443-F535 AromaticContact ND1-CD1 3.92Å
444L96.6Very high94.5Very high1 Ų129 Ų291%0.00515%0.152CC..Hα-helixtrans-65.3-33177-70.9-177.8000112.5L442 L447 S448 I524 Q525 N528 F535 R536 A538L442-L444 PolarHBondContact O-N 3.02Å; L444-L447 HydrophobicContact CD2-CD1 4.34Å; L444-S448 VanDerWaalsContact O-CB 3.29Å; L444-S448 WeakPolarHBondContact O-CB 3.38Å; L444-S448 PolarHBondContact O-N 2.94Å; L444-S448 PolarHBondContact O-OG 2.98Å; L444-I524 HydrophobicContact CD2-CD1 4.32Å; L444-I524 HydrophobicContact CD2-CG1 4.32Å; L444-Q525 HydrophobicContact CD1-CG 4.16Å; L444-N528 HydrophobicContact CD1-CB 4.15Å; L444-N528 HydrophobicContact CD2-CB 4.34Å; L444-F535 HydrophobicContact CD1-CB 4.37Å; L444-F535 HydrophobicContact CD2-CB 3.8Å; L444-F535 HydrophobicContact CD2-CD2 4.12Å; L444-F535 HydrophobicContact CD2-CG 4.1Å; L444-F535 HydrophobicContact CG-CB 3.85Å; L444-R536 VanDerWaalsContact CD1-O 3.31Å; L444-R536 WeakPolarHBondContact CD1-O 3.33Å; L444-A538 HydrophobicContact CB-CB 4.14Å
445F97.6Very high94.7Very high0 Ų027.9 Ų27.90%015%0.15CC..Hα-helixtrans-61.2-50.7174.1174.8-99.3000111L442 H443 S448 L449 L470 A474 W517 L543L442-F445 WeakPolarHBondContact O-CB 3.42Å; L442-F445 PolarHBondContact O-N 3.31Å; L442-F445 VanDerWaalsContact O-N 3.15Å; H443-F445 VanDerWaalsContact C-N 3.29Å; H443-F445 PolarHBondContact O-N 3.12Å; F445-S448 PolarHBondContact O-N 2.89Å; F445-S448 PolarHBondContact O-OG 3.19Å; F445-L449 HydrophobicContact CD1-CD1 3.98Å; F445-L449 HydrophobicContact CE1-CD1 3.34Å; F445-L449 HydrophobicContact CE1-CG 4.34Å; F445-L449 HydrophobicContact CE2-CD1 4.25Å; F445-L449 HydrophobicContact CZ-CD1 3.5Å; F445-L449 VanDerWaalsContact CZ-CD1 3.5Å; F445-L449 HydrophobicContact CZ-CG 4.24Å; F445-L449 PolarHBondContact O-N 3.34Å; F445-L470 HydrophobicContact CZ-CB 4.33Å; F445-A474 HydrophobicContact CE1-CB 3.92Å; F445-A474 HydrophobicContact CE2-CB 4.13Å; F445-A474 HydrophobicContact CZ-CB 3.7Å; F445-W517 HydrophobicContact CD2-CH2 4.24Å; F445-W517 AromaticContact CD2-CZ2 3.47Å; F445-W517 HydrophobicContact CD2-CZ2 3.47Å; F445-W517 VanDerWaalsContact CD2-CZ2 3.47Å; F445-W517 AromaticContact CE2-CH2 3.95Å; F445-W517 HydrophobicContact CE2-CH2 3.95Å; F445-W517 AromaticContact CE2-CZ2 3.39Å; F445-W517 HydrophobicContact CE2-CZ2 3.39Å; F445-L543 HydrophobicContact CB-CD1 4.08Å; F445-L543 HydrophobicContact CB-CD2 4.07Å; F445-L543 HydrophobicContact CD2-CB 4.07Å; F445-L543 HydrophobicContact CD2-CD1 4.16Å; F445-L543 HydrophobicContact CD2-CD2 4.03Å; F445-L543 HydrophobicContact CD2-CG 4.31Å; F445-L543 HydrophobicContact CE2-CB 4.38Å; F445-L543 HydrophobicContact CG-CD1 4.47Å; F445-L543 HydrophobicContact CG-CD2 4.02Å
446V96.3Very high94.5Very high0 Ų028.5 Ų28.50%016%0.155CC..Hα-helixtrans-63.7-44.4178.3174.10000111.5F430 L435 I438 L442 H443 S448 L449 K450 L588 I591 I592F430-V446 HydrophobicContact CE2-CG1 4.31Å; L435-V446 HydrophobicContact CD2-CB 4.32Å; L435-V446 HydrophobicContact CD2-CG1 4.23Å; I438-V446 HydrophobicContact CG2-CG2 4.1Å; L442-V446 HydrophobicContact CB-CG2 4.44Å; L442-V446 WeakPolarHBondContact O-CG2 3.31Å; L442-V446 PolarHBondContact O-N 2.83Å; H443-V446 PolarHBondContact O-N 3.31Å; V446-S448 VanDerWaalsContact C-N 3.34Å; V446-S448 PolarHBondContact O-N 3.41Å; V446-L449 PolarHBondContact O-N 3.35Å; V446-K450 WeakPolarHBondContact O-CB 3.46Å; V446-K450 PolarHBondContact O-N 3.49Å; V446-L588 HydrophobicContact CG2-CD2 3.32Å; V446-I591 HydrophobicContact CG1-CB 4.29Å; V446-I591 HydrophobicContact CG1-CD1 4.02Å; V446-I591 HydrophobicContact CG1-CG2 3.74Å; V446-I592 HydrophobicContact CG1-CD1 4.14Å; V446-I592 HydrophobicContact CG1-CG1 4.37Å; V446-I592 WeakPolarHBondContact O-CD1 3.25Å
447L95.4Very high94.2Very high2 Ų226 Ų261%0.0115%0.147CC..Hα-helixtrans-59.7-45.4176.3-70.2170.6000111.4T425 F430 L435 H443 L444 L449 K450 M451 I524 F535T425-L447 HydrophobicContact CG2-CD1 4.44Å; T425-L447 HydrophobicContact CG2-CD2 3.95Å; F430-L447 HydrophobicContact CD1-CD2 3.89Å; F430-L447 HydrophobicContact CD2-CD2 3.56Å; F430-L447 HydrophobicContact CE1-CD2 3.99Å; F430-L447 HydrophobicContact CE2-CD2 3.64Å; F430-L447 HydrophobicContact CG-CD2 3.71Å; F430-L447 HydrophobicContact CZ-CD2 3.89Å; L435-L447 HydrophobicContact CD1-CD1 4.19Å; L435-L447 HydrophobicContact CD1-CD2 4.37Å; L435-L447 HydrophobicContact CD1-CG 4.29Å; H443-L447 WeakPolarHBondContact O-CB 3.43Å; H443-L447 VanDerWaalsContact O-CG 3.27Å; H443-L447 WeakPolarHBondContact O-CG 3.36Å; H443-L447 PolarHBondContact O-N 3.24Å; L444-L447 HydrophobicContact CD2-CD1 4.34Å; L447-L449 PolarHBondContact O-N 2.83Å; L447-K450 PolarHBondContact O-N 2.91Å; L447-M451 WeakPolarHBondContact O-CB 3.42Å; L447-M451 VanDerWaalsContact O-CG 3.26Å; L447-M451 WeakPolarHBondContact O-CG 3.46Å; L447-M451 PolarHBondContact O-N 3.22Å; L447-M451 VanDerWaalsContact O-N 3.07Å; L447-I524 HydrophobicContact CB-CD1 3.54Å; L447-I524 HydrophobicContact CD1-CD1 4.37Å; L447-F535 HydrophobicContact CD1-CD2 4.49Å; L447-F535 HydrophobicContact CD1-CE1 4.22Å; L447-F535 HydrophobicContact CD1-CE2 4.1Å; L447-F535 HydrophobicContact CD1-CZ 3.95Å
448S96.8Very high94.1Very high0 Ų024.9 Ų24.90%014%0.136CC..Hα-helixtrans-62.1-40.9177.670.70000112.7L444 F445 V446 W452 W517L444-S448 VanDerWaalsContact O-CB 3.29Å; L444-S448 WeakPolarHBondContact O-CB 3.38Å; L444-S448 PolarHBondContact O-N 2.94Å; L444-S448 PolarHBondContact O-OG 2.98Å; F445-S448 PolarHBondContact O-N 2.89Å; F445-S448 PolarHBondContact O-OG 3.19Å; V446-S448 VanDerWaalsContact C-N 3.34Å; V446-S448 PolarHBondContact O-N 3.41Å; S448-W452 VanDerWaalsContact O-CB 3.24Å; S448-W452 WeakPolarHBondContact O-CB 3.21Å; S448-W452 PolarHBondContact O-N 3.44Å; S448-W517 PolarHBondContact OG-NE1 2.9Å
449L96.3Very high93.8Very high1 Ų128.5 Ų28.51%0.00516%0.159CC..Hα-helixtrans-64-48.7175-79.3175.8000111.2F445 V446 L447 M451 W452 T453 L470 W517 I592F445-L449 HydrophobicContact CD1-CD1 3.98Å; F445-L449 HydrophobicContact CE1-CD1 3.34Å; F445-L449 HydrophobicContact CE1-CG 4.34Å; F445-L449 HydrophobicContact CE2-CD1 4.25Å; F445-L449 HydrophobicContact CZ-CD1 3.5Å; F445-L449 VanDerWaalsContact CZ-CD1 3.5Å; F445-L449 HydrophobicContact CZ-CG 4.24Å; F445-L449 PolarHBondContact O-N 3.34Å; V446-L449 PolarHBondContact O-N 3.35Å; L447-L449 PolarHBondContact O-N 2.83Å; L449-M451 VanDerWaalsContact C-N 3.27Å; L449-M451 PolarHBondContact O-N 3.38Å; L449-W452 HydrophobicContact CD2-CE3 3.92Å; L449-W452 HydrophobicContact CD2-CZ3 4.05Å; L449-W452 PolarHBondContact O-N 3.3Å; L449-T453 WeakPolarHBondContact O-CG2 3.48Å; L449-T453 PolarHBondContact O-N 3.25Å; L449-T453 PolarHBondContact O-OG1 3.26Å; L449-L470 HydrophobicContact CD2-CB 4.21Å; L449-L470 HydrophobicContact CD2-CD1 3.69Å; L449-W517 VanDerWaalsContact CD2-CD1 3.49Å; L449-W517 HydrophobicContact CD2-CD2 4.5Å; L449-W517 HydrophobicContact CD2-CG 4.02Å; L449-I592 HydrophobicContact CB-CD1 3.72Å; L449-I592 HydrophobicContact CB-CG1 4.17Å; L449-I592 HydrophobicContact CB-CG2 4.34Å; L449-I592 HydrophobicContact CD1-CG1 4.46Å
450K93.7Very high93.6Very high45 Ų4534.1 Ų34.120%0.19618%0.184CC..Hα-helixtrans-55.6-48.6-178179.763163.4-167.70110.5F430 V446 L447 T453 Q454 I591 I592F430-K450 HydrophobicContact CD2-CB 4.35Å; F430-K450 HydrophobicContact CD2-CG 4.06Å; V446-K450 WeakPolarHBondContact O-CB 3.46Å; V446-K450 PolarHBondContact O-N 3.49Å; L447-K450 PolarHBondContact O-N 2.91Å; K450-T453 PolarHBondContact O-N 3.06Å; K450-T453 PolarHBondContact O-OG1 2.88Å; K450-Q454 WeakPolarHBondContact O-CG 3.33Å; K450-Q454 PolarHBondContact O-N 3.42Å; K450-I591 WeakPolarHBondContact CD-O 3.48Å; K450-I591 PolarHBondContact NZ-O 3.27Å; K450-I592 HydrophobicContact CB-CD1 3.69Å; K450-I592 HydrophobicContact CD-CD1 4.36Å; K450-I592 VanDerWaalsContact N-CD1 3.3Å
451M93.1Very high93.4Very high5 Ų534.6 Ų34.63%0.02519%0.186CC..Hα-helixtrans-69.6-42.4-176.8-71176.529.200113.1L368 F428 L447 L449 T453 Q454 S455 I524L368-M451 HydrophobicContact CD1-CE 3.26Å; L368-M451 HydrophobicContact CD2-CE 3.55Å; L368-M451 HydrophobicContact CG-CE 3.22Å; F428-M451 HydrophobicContact CB-CG 3.54Å; F428-M451 HydrophobicContact CB-SD 3.94Å; F428-M451 HydrophobicContact CD1-CB 4.2Å; F428-M451 HydrophobicContact CD1-CE 3.82Å; F428-M451 HydrophobicContact CD1-CG 3.52Å; F428-M451 HydrophobicContact CD1-SD 3.73Å; F428-M451 HydrophobicContact CD2-CE 3.85Å; F428-M451 HydrophobicContact CD2-CG 3.91Å; F428-M451 HydrophobicContact CD2-SD 3.16Å; F428-M451 WeakPolarHBondContact CD2-SD 3.27Å; F428-M451 HydrophobicContact CE1-CE 3.47Å; F428-M451 VanDerWaalsContact CE1-CE 3.47Å; F428-M451 HydrophobicContact CE1-CG 4.16Å; F428-M451 HydrophobicContact CE1-SD 3.96Å; F428-M451 HydrophobicContact CE2-CE 3.49Å; F428-M451 VanDerWaalsContact CE2-CE 3.49Å; F428-M451 HydrophobicContact CE2-CG 4.5Å; F428-M451 HydrophobicContact CE2-SD 3.44Å; F428-M451 WeakPolarHBondContact CE2-SD 3.4Å; F428-M451 HydrophobicContact CG-CB 4.49Å; F428-M451 HydrophobicContact CG-CE 3.99Å; F428-M451 HydrophobicContact CG-CG 3.37Å; F428-M451 HydrophobicContact CG-SD 3.31Å; F428-M451 WeakPolarHBondContact CG-SD 3.34Å; F428-M451 HydrophobicContact CZ-CE 3.3Å; F428-M451 HydrophobicContact CZ-SD 3.84Å; L447-M451 WeakPolarHBondContact O-CB 3.42Å; L447-M451 VanDerWaalsContact O-CG 3.26Å; L447-M451 WeakPolarHBondContact O-CG 3.46Å; L447-M451 PolarHBondContact O-N 3.22Å; L447-M451 VanDerWaalsContact O-N 3.07Å; L449-M451 VanDerWaalsContact C-N 3.27Å; L449-M451 PolarHBondContact O-N 3.38Å; M451-T453 VanDerWaalsContact C-N 3.28Å; M451-T453 PolarHBondContact O-N 2.97Å; M451-Q454 PolarHBondContact O-N 2.86Å; M451-S455 WeakPolarHBondContact O-CB 3.45Å; M451-S455 PolarHBondContact O-N 3.16Å; M451-S455 PolarHBondContact O-OG 2.84Å; M451-I524 HydrophobicContact SD-CD1 4.13Å
452W95.7Very high93.3Very high0 Ų033.9 Ų33.90%018%0.184CC..Hα-helixtrans-57.6-45171.8167.359.3000110.4S448 L449 Q454 S455 S456 T463 V466 A467 L470 A513 Q516 W517 C520S448-W452 VanDerWaalsContact O-CB 3.24Å; S448-W452 WeakPolarHBondContact O-CB 3.21Å; S448-W452 PolarHBondContact O-N 3.44Å; L449-W452 HydrophobicContact CD2-CE3 3.92Å; L449-W452 HydrophobicContact CD2-CZ3 4.05Å; L449-W452 PolarHBondContact O-N 3.3Å; W452-Q454 PolarHBondContact O-N 2.93Å; W452-S455 CarbonylContact O-C 3.57Å; W452-S455 PolarHBondContact O-N 2.89Å; W452-S455 VanDerWaalsContact O-N 3.09Å; W452-S456 WeakPolarHBondContact O-CA 3.25Å; W452-S456 WeakPolarHBondContact O-CB 3.48Å; W452-S456 PolarHBondContact O-N 3.16Å; W452-T463 HydrophobicContact CH2-CG2 4.1Å; W452-T463 HydrophobicContact CZ2-CG2 4.26Å; W452-T463 HydrophobicContact CZ3-CG2 4.3Å; W452-V466 HydrophobicContact CH2-CB 3.83Å; W452-V466 HydrophobicContact CH2-CG1 3.61Å; W452-V466 HydrophobicContact CZ2-CG1 4.33Å; W452-V466 HydrophobicContact CZ3-CG1 4.36Å; W452-A467 HydrophobicContact CZ3-CB 4.02Å; W452-L470 HydrophobicContact CZ3-CD1 4.16Å; W452-A513 HydrophobicContact CZ2-CB 3.95Å; W452-A513 WeakPolarHBondContact CZ2-O 3.35Å; W452-Q516 VanDerWaalsContact NE1-CB 3.29Å; W452-W517 HydrophobicContact CB-CB 4.45Å; W452-W517 HydrophobicContact CD2-CB 3.72Å; W452-W517 HydrophobicContact CE3-CB 3.87Å; W452-W517 HydrophobicContact CE3-CG 4.38Å; W452-W517 HydrophobicContact CG-CB 3.96Å; W452-W517 HydrophobicContact CZ3-CB 4.43Å; W452-C520 HydrophobicContact CB-CB 4.23Å
453T94.1Very high93.2Very high27 Ų2734.1 Ų34.117%0.16619%0.185CC..Hα-helixtrans-63.7-25.3179.764.80000114.3L449 K450 M451 T463 A467 I592 P593L449-T453 WeakPolarHBondContact O-CG2 3.48Å; L449-T453 PolarHBondContact O-N 3.25Å; L449-T453 PolarHBondContact O-OG1 3.26Å; K450-T453 PolarHBondContact O-N 3.06Å; K450-T453 PolarHBondContact O-OG1 2.88Å; M451-T453 VanDerWaalsContact C-N 3.28Å; M451-T453 PolarHBondContact O-N 2.97Å; T453-T463 HydrophobicContact CG2-CG2 3.52Å; T453-A467 HydrophobicContact CG2-CB 4.34Å; T453-I592 HydrophobicContact CG2-CG2 4.29Å; T453-P593 HydrophobicContact CG2-CG 4.05Å
454Q90.9Very high93.2Very high86 Ų8633.8 Ų33.840%0.40218%0.184SC..Hα-helixtrans-84-25.5175.3-70167.2-28.800113.4F428 K450 M451 W452F428-Q454 PolarHBondContact O-NE2 3.42Å; F428-Q454 PolarHBondContact O-OE1 2.88Å; F428-Q454 VanDerWaalsContact O-OE1 3.11Å; K450-Q454 WeakPolarHBondContact O-CG 3.33Å; K450-Q454 PolarHBondContact O-N 3.42Å; M451-Q454 PolarHBondContact O-N 2.86Å; W452-Q454 PolarHBondContact O-N 2.93Å
455S90.3Very high93.2Very high42 Ų4234 Ų3429%0.29419%0.185SC..Hα-helixtrans-113.8-0.9-171.9-45.20000113.3C364 M451 W452C364-S455 WeakPolarHBondContact O-CB 3.28Å; M451-S455 WeakPolarHBondContact O-CB 3.45Å; M451-S455 PolarHBondContact O-N 3.16Å; M451-S455 PolarHBondContact O-OG 2.84Å; W452-S455 CarbonylContact O-C 3.57Å; W452-S455 PolarHBondContact O-N 2.89Å; W452-S455 VanDerWaalsContact O-N 3.09Å
456S86.5Confident93.2Very high21 Ų2134 Ų3415%0.14719%0.185CC..  trans-66.7135.5-178.2178.30000110.6W452 S458 T463 Q516W452-S456 WeakPolarHBondContact O-CA 3.25Å; W452-S456 WeakPolarHBondContact O-CB 3.48Å; W452-S456 PolarHBondContact O-N 3.16Å; S456-S458 PolarHBondContact O-N 3.46Å; S456-S458 VanDerWaalsContact OG-CB 3.3Å; S456-S458 WeakPolarHBondContact OG-CB 3.33Å; S456-S458 PolarHBondContact OG-N 2.99Å; S456-S458 VanDerWaalsContact OG-N 3.07Å; S456-T463 PolarHBondContact OG-OG1 3.13Å; S456-Q516 PolarHBondContact OG-OE1 3.38Å
457S86.2Confident93.3Very high68 Ų6834 Ų3448%0.47619%0.185SC..SBendtrans-78.8-6.7169.759.50000113.1Q516S457-Q516 PolarHBondContact OG-NE2 3.37Å
458S89.5Confident93.4Very high24 Ų2433.9 Ų33.917%0.16818%0.184CC..SBendtrans-76.4156.1178.7-59.20000111.4S456 Q516S456-S458 PolarHBondContact O-N 3.46Å; S456-S458 VanDerWaalsContact OG-CB 3.3Å; S456-S458 WeakPolarHBondContact OG-CB 3.33Å; S456-S458 PolarHBondContact OG-N 2.99Å; S456-S458 VanDerWaalsContact OG-N 3.07Å; S458-Q516 PolarHBondContact OG-OE1 2.98Å
459T89.5Confident93.4Very high85 Ų8533.9 Ų33.952%0.52118%0.184SC..  trans-61.6151.4174.5690000111Q461 I462 T463T459-Q461 PolarHBondContact O-N 3.02Å; T459-I462 HydrophobicContact CG2-CD1 4.42Å; T459-I462 PolarHBondContact O-N 3.38Å; T459-I462 WeakPolarHBondContact OG1-CD1 3.38Å; T459-I462 WeakPolarHBondContact OG1-CG1 3.22Å; T459-I462 PolarHBondContact OG1-N 3.36Å; T459-T463 PolarHBondContact O-N 2.93Å; T459-T463 PolarHBondContact O-OG1 3.5Å
460E91.3Very high93.5Very high135 Ų13533.9 Ų33.963%0.63118%0.184SC*.Hα-helixtrans-50.4-45.4179.1-176.7-176.716900111.9I462 T463 Q464E460-I462 PolarHBondContact O-N 2.97Å; E460-T463 PolarHBondContact O-N 3.41Å; E460-Q464 HydrophobicContact CG-CG 4.34Å; E460-Q464 VanDerWaalsContact CG-NE2 3.29Å; E460-Q464 WeakPolarHBondContact O-CB 3.31Å; E460-Q464 VanDerWaalsContact O-CG 3.25Å; E460-Q464 WeakPolarHBondContact O-CG 3.34Å; E460-Q464 PolarHBondContact O-N 3.43Å; E460-Q464 PolarHBondContact OE1-NE2 3.44Å
461Q92.5Very high93.7Very high105 Ų10531.7 Ų31.749%0.49118%0.175SC..Hα-helixtrans-62.1-39.6179.3-174.463.463.700113.2T459 N465T459-Q461 PolarHBondContact O-N 3.02Å; Q461-N465 PolarHBondContact NE2-ND2 2.94Å; Q461-N465 WeakPolarHBondContact O-CB 2.8Å; Q461-N465 PolarHBondContact O-N 3.33Å; Q461-N465 PolarHBondContact O-ND2 2.93Å
462I93.6Very high93.8Very high43 Ų4331.5 Ų31.522%0.22117%0.174CC..Hα-helixtrans-67.2-51177.5-71.1167.2000109.2T459 E460 Q464 N465 V466 T509 A513T459-I462 HydrophobicContact CG2-CD1 4.42Å; T459-I462 PolarHBondContact O-N 3.38Å; T459-I462 WeakPolarHBondContact OG1-CD1 3.38Å; T459-I462 WeakPolarHBondContact OG1-CG1 3.22Å; T459-I462 PolarHBondContact OG1-N 3.36Å; E460-I462 PolarHBondContact O-N 2.97Å; I462-Q464 VanDerWaalsContact C-N 3.32Å; I462-Q464 PolarHBondContact O-N 3.29Å; I462-N465 PolarHBondContact O-N 3.3Å; I462-V466 HydrophobicContact CG2-CG2 4.36Å; I462-V466 WeakPolarHBondContact O-CG2 3.42Å; I462-V466 PolarHBondContact O-N 3.48Å; I462-T509 HydrophobicContact CB-CG2 4.39Å; I462-T509 HydrophobicContact CD1-CG2 3.74Å; I462-T509 HydrophobicContact CG1-CG2 3.97Å; I462-T509 HydrophobicContact CG2-CG2 3.49Å; I462-T509 VanDerWaalsContact CG2-CG2 3.49Å; I462-A513 HydrophobicContact CG2-CB 4.46Å
463T95.7Very high93.8Very high6 Ų631.5 Ų31.54%0.03717%0.174CC..Hα-helixtrans-55.8-46.7-179.7-61.70000111.1W452 T453 S456 T459 E460 V466 A467W452-T463 HydrophobicContact CH2-CG2 4.1Å; W452-T463 HydrophobicContact CZ2-CG2 4.26Å; W452-T463 HydrophobicContact CZ3-CG2 4.3Å; T453-T463 HydrophobicContact CG2-CG2 3.52Å; S456-T463 PolarHBondContact OG-OG1 3.13Å; T459-T463 PolarHBondContact O-N 2.93Å; T459-T463 PolarHBondContact O-OG1 3.5Å; E460-T463 PolarHBondContact O-N 3.41Å; T463-V466 PolarHBondContact O-N 2.74Å; T463-A467 WeakPolarHBondContact O-CB 3.49Å; T463-A467 PolarHBondContact O-N 3.39Å
464Q96.2Very high93.9Very high13 Ų1330.2 Ų30.26%0.06117%0.166CC..Hα-helixtrans-61.9-46.8177.9-75.2176-0.600112.7E460 I462 A467 L468 P593 P595E460-Q464 HydrophobicContact CG-CG 4.34Å; E460-Q464 VanDerWaalsContact CG-NE2 3.29Å; E460-Q464 WeakPolarHBondContact O-CB 3.31Å; E460-Q464 VanDerWaalsContact O-CG 3.25Å; E460-Q464 WeakPolarHBondContact O-CG 3.34Å; E460-Q464 PolarHBondContact O-N 3.43Å; E460-Q464 PolarHBondContact OE1-NE2 3.44Å; I462-Q464 VanDerWaalsContact C-N 3.32Å; I462-Q464 PolarHBondContact O-N 3.29Å; Q464-A467 PolarHBondContact O-N 3.21Å; Q464-L468 PolarHBondContact O-N 3.36Å; Q464-P593 HydrophobicContact CG-CB 4.05Å; Q464-P593 WeakPolarHBondContact CG-O 3.21Å; Q464-P595 HydrophobicContact CB-CG 3.96Å; Q464-P595 WeakPolarHBondContact O-CD 3.49Å
465N96.6Very high94.2Very high6 Ų626.2 Ų26.23%0.03215%0.147CC..Hα-helixtrans-65.1-40.9-180-80.1-49.2000112.2Q461 I462 A469 Y553 L557 P595Q461-N465 PolarHBondContact NE2-ND2 2.94Å; Q461-N465 WeakPolarHBondContact O-CB 2.8Å; Q461-N465 PolarHBondContact O-N 3.33Å; Q461-N465 PolarHBondContact O-ND2 2.93Å; I462-N465 PolarHBondContact O-N 3.3Å; N465-A469 PolarHBondContact O-N 3.03Å; N465-A469 VanDerWaalsContact O-N 3.11Å; N465-Y553 HydrophobicContact CB-CD2 3.95Å; N465-Y553 HydrophobicContact CB-CE2 3.72Å; N465-L557 HydrophobicContact CB-CD2 4.47Å; N465-P595 HydrophobicContact CB-CG 4.31Å; N465-P595 WeakPolarHBondContact OD1-CG 3.44Å
466V97.4Very high94.3Very high0 Ų024.3 Ų24.30%013%0.134CC..Hα-helixtrans-70.1-41177.3172.90000110.3W452 I462 T463 L468 A469 L470 F510 A513 Y553W452-V466 HydrophobicContact CH2-CB 3.83Å; W452-V466 HydrophobicContact CH2-CG1 3.61Å; W452-V466 HydrophobicContact CZ2-CG1 4.33Å; W452-V466 HydrophobicContact CZ3-CG1 4.36Å; I462-V466 HydrophobicContact CG2-CG2 4.36Å; I462-V466 WeakPolarHBondContact O-CG2 3.42Å; I462-V466 PolarHBondContact O-N 3.48Å; T463-V466 PolarHBondContact O-N 2.74Å; V466-L468 VanDerWaalsContact C-N 3.35Å; V466-L468 PolarHBondContact O-N 3.22Å; V466-A469 PolarHBondContact O-N 3.29Å; V466-A469 VanDerWaalsContact O-N 3.15Å; V466-L470 HydrophobicContact CG1-CD1 3.91Å; V466-L470 HydrophobicContact CG1-CG 4.16Å; V466-L470 VanDerWaalsContact O-CG 3.27Å; V466-L470 WeakPolarHBondContact O-CG 3.44Å; V466-L470 PolarHBondContact O-N 3.02Å; V466-F510 HydrophobicContact CG1-CD2 4.45Å; V466-F510 HydrophobicContact CG2-CD2 4.2Å; V466-A513 HydrophobicContact CB-CB 4.37Å; V466-A513 HydrophobicContact CG1-CB 4.07Å; V466-A513 HydrophobicContact CG2-CB 3.98Å; V466-Y553 HydrophobicContact CG2-CD2 3.71Å; V466-Y553 HydrophobicContact CG2-CE2 3.56Å; V466-Y553 HydrophobicContact CG2-CG 4.5Å
467A97.7Very high94.6Very high0 Ų024.8 Ų24.80%014%0.135CC..Hα-helixtrans-58.8-43.9175.100000112.4W452 T453 T463 Q464 L470 A471 I592 F594W452-A467 HydrophobicContact CZ3-CB 4.02Å; T453-A467 HydrophobicContact CG2-CB 4.34Å; T463-A467 WeakPolarHBondContact O-CB 3.49Å; T463-A467 PolarHBondContact O-N 3.39Å; Q464-A467 PolarHBondContact O-N 3.21Å; A467-L470 PolarHBondContact O-N 2.79Å; A467-A471 WeakPolarHBondContact O-CB 3.29Å; A467-A471 PolarHBondContact O-N 3.1Å; A467-I592 HydrophobicContact CB-CG2 3.8Å; A467-F594 HydrophobicContact CB-CD1 4.31Å; A467-F594 HydrophobicContact CB-CE1 4.25Å
468L97.5Very high95Very high0 Ų023.4 Ų23.40%012%0.122CC..Hα-helixtrans-59.5-46173.7172.962.1000111.4Q464 V466 A471 A472 A556 P562 V563 V566 L585 F594 P595Q464-L468 PolarHBondContact O-N 3.36Å; V466-L468 VanDerWaalsContact C-N 3.35Å; V466-L468 PolarHBondContact O-N 3.22Å; L468-A471 PolarHBondContact O-N 3.18Å; L468-A472 WeakPolarHBondContact O-CB 3.25Å; L468-A472 PolarHBondContact O-N 2.84Å; L468-A556 HydrophobicContact CD2-CB 4.23Å; L468-P562 HydrophobicContact CD2-CB 3.92Å; L468-V563 HydrophobicContact CD1-CG2 4.36Å; L468-V563 HydrophobicContact CD2-CG2 4.12Å; L468-V566 HydrophobicContact CD1-CB 4.44Å; L468-V566 HydrophobicContact CD1-CG1 4.25Å; L468-V566 HydrophobicContact CD2-CB 4.4Å; L468-V566 HydrophobicContact CD2-CG2 4.01Å; L468-V566 HydrophobicContact CG-CB 4.43Å; L468-V566 HydrophobicContact CG-CG1 4.43Å; L468-V566 HydrophobicContact CG-CG2 4.2Å; L468-L585 HydrophobicContact CD1-CD1 4.09Å; L468-L585 HydrophobicContact CD1-CD2 3.96Å; L468-F594 HydrophobicContact CB-CD1 4.05Å; L468-F594 HydrophobicContact CB-CE1 4.46Å; L468-F594 HydrophobicContact CB-CG 4.24Å; L468-F594 HydrophobicContact CD1-CD2 3.99Å; L468-F594 HydrophobicContact CD1-CE2 4.21Å; L468-F594 HydrophobicContact CD1-CG 4.27Å; L468-P595 HydrophobicContact CD2-CG 4.27Å
469A97.6Very high95.1Very high0 Ų022.9 Ų22.90%012%0.119CC..Hα-helixtrans-65-39.8179.700000112.9N465 V466 A473 A549 L552N465-A469 PolarHBondContact O-N 3.03Å; N465-A469 VanDerWaalsContact O-N 3.11Å; V466-A469 PolarHBondContact O-N 3.29Å; V466-A469 VanDerWaalsContact O-N 3.15Å; A469-A473 WeakPolarHBondContact O-CB 3.27Å; A469-A473 PolarHBondContact O-N 3.31Å; A469-A549 WeakPolarHBondContact CB-O 3.26Å; A469-L552 HydrophobicContact CB-CB 4.11Å
470L98Very high94.9Very high0 Ų025.2 Ų25.20%012%0.122CC..Hα-helixtrans-65.2-45.9175.1-68.2173000111.3F445 L449 W452 V466 A467 A472 A473 A474 W517 F544 A549F445-L470 HydrophobicContact CZ-CB 4.33Å; L449-L470 HydrophobicContact CD2-CB 4.21Å; L449-L470 HydrophobicContact CD2-CD1 3.69Å; W452-L470 HydrophobicContact CZ3-CD1 4.16Å; V466-L470 HydrophobicContact CG1-CD1 3.91Å; V466-L470 HydrophobicContact CG1-CG 4.16Å; V466-L470 VanDerWaalsContact O-CG 3.27Å; V466-L470 WeakPolarHBondContact O-CG 3.44Å; V466-L470 PolarHBondContact O-N 3.02Å; A467-L470 PolarHBondContact O-N 2.79Å; L470-A472 PolarHBondContact O-N 2.73Å; L470-A473 PolarHBondContact O-N 2.89Å; L470-A474 PolarHBondContact O-N 3.19Å; L470-W517 HydrophobicContact CD1-CB 4.02Å; L470-W517 HydrophobicContact CD1-CD2 3.73Å; L470-W517 HydrophobicContact CD1-CE3 3.86Å; L470-W517 HydrophobicContact CD1-CG 3.77Å; L470-W517 HydrophobicContact CD2-CE3 3.88Å; L470-W517 HydrophobicContact CD2-CZ3 4.05Å; L470-F544 HydrophobicContact CD2-CD2 3.53Å; L470-F544 HydrophobicContact CD2-CE2 3.45Å; L470-F544 VanDerWaalsContact CD2-CE2 3.45Å; L470-A549 HydrophobicContact CD2-CB 4.29Å
471A97.6Very high94.4Very high0 Ų022.7 Ų22.70%011%0.109CC..Hα-helixtrans-60.7-45.5177.100000111.7A467 L468 A474 I475 L585 L588 F594A467-A471 WeakPolarHBondContact O-CB 3.29Å; A467-A471 PolarHBondContact O-N 3.1Å; L468-A471 PolarHBondContact O-N 3.18Å; A471-A474 PolarHBondContact O-N 3.25Å; A471-I475 WeakPolarHBondContact O-CG1 3.28Å; A471-I475 PolarHBondContact O-N 3.49Å; A471-L585 HydrophobicContact CB-CD1 4.06Å; A471-L588 HydrophobicContact CB-CD1 4Å; A471-F594 HydrophobicContact CB-CE1 4.14Å; A471-F594 HydrophobicContact CB-CZ 3.63Å
472A95.6Very high93.5Very high0 Ų023.1 Ų23.10%012%0.119CC..Hα-helixtrans-66.5-37.2177.500000112.9L468 L470 I475 H476 L552 V566L468-A472 WeakPolarHBondContact O-CB 3.25Å; L468-A472 PolarHBondContact O-N 2.84Å; L470-A472 PolarHBondContact O-N 2.73Å; A472-I475 PolarHBondContact O-N 3.06Å; A472-H476 WeakPolarHBondContact O-CB 3.36Å; A472-H476 PolarHBondContact O-N 3.13Å; A472-L552 HydrophobicContact CB-CD1 3.93Å; A472-V566 HydrophobicContact CB-CG1 3.17Å
473A96Very high92.6Very high0 Ų024 Ų240%013%0.129CC..Hα-helixtrans-62.4-43.1172.800000111.6A469 L470 H476 L477 L548 A549 L552A469-A473 WeakPolarHBondContact O-CB 3.27Å; A469-A473 PolarHBondContact O-N 3.31Å; L470-A473 PolarHBondContact O-N 2.89Å; A473-H476 PolarHBondContact O-N 2.85Å; A473-L477 WeakPolarHBondContact O-CB 3.1Å; A473-L477 VanDerWaalsContact O-CG 3.22Å; A473-L477 WeakPolarHBondContact O-CG 3.48Å; A473-L477 PolarHBondContact O-N 3.39Å; A473-L548 HydrophobicContact CB-CD2 4.04Å; A473-L548 HydrophobicContact CB-CG 4.04Å; A473-A549 HydrophobicContact CB-CB 4Å; A473-L552 HydrophobicContact CB-CD1 4.08Å
474A96.8Very high91.7Very high1 Ų129.4 Ų29.41%0.00816%0.162CC..Hα-helixtrans-64.5-40.6176.300000112.3F445 L470 A471 N478 L543F445-A474 HydrophobicContact CE1-CB 3.92Å; F445-A474 HydrophobicContact CE2-CB 4.13Å; F445-A474 HydrophobicContact CZ-CB 3.7Å; L470-A474 PolarHBondContact O-N 3.19Å; A471-A474 PolarHBondContact O-N 3.25Å; A474-N478 PolarHBondContact O-N 2.89Å; A474-N478 PolarHBondContact O-ND2 2.83Å; A474-L543 HydrophobicContact CB-CD2 4.12Å
475I95.2Very high90.7Very high1 Ų131.7 Ų31.71%0.00517%0.173CC..Hα-helixtrans-59-54.1173.9-71.7167.5000109.9A471 A472 L477 N478 A479 L570 E573 V576 P581 L584 L585 L588A471-I475 WeakPolarHBondContact O-CG1 3.28Å; A471-I475 PolarHBondContact O-N 3.49Å; A472-I475 PolarHBondContact O-N 3.06Å; I475-L477 VanDerWaalsContact C-N 3.31Å; I475-L477 PolarHBondContact O-N 3.07Å; I475-N478 CarbonylContact O-C 3.57Å; I475-N478 PolarHBondContact O-N 3.35Å; I475-A479 PolarHBondContact O-N 2.8Å; I475-L570 HydrophobicContact CB-CD1 4.44Å; I475-L570 HydrophobicContact CD1-CD1 4.47Å; I475-L570 HydrophobicContact CG2-CD1 3.93Å; I475-E573 WeakPolarHBondContact CG2-OE2 3.32Å; I475-V576 HydrophobicContact CG2-CB 4.44Å; I475-V576 HydrophobicContact CG2-CG1 4.03Å; I475-V576 HydrophobicContact CG2-CG2 4.46Å; I475-P581 HydrophobicContact CG2-CB 3.93Å; I475-L584 HydrophobicContact CD1-CB 4.43Å; I475-L584 HydrophobicContact CD1-CG 4.24Å; I475-L584 HydrophobicContact CG1-CD2 3.86Å; I475-L584 HydrophobicContact CG1-CG 4.09Å; I475-L585 HydrophobicContact CD1-CB 3.85Å; I475-L585 HydrophobicContact CD1-CD1 3.78Å; I475-L585 HydrophobicContact CD1-CG 4.41Å; I475-L588 HydrophobicContact CD1-CD1 4.23Å
476H92.5Very high90Very high2 Ų232.8 Ų32.81%0.00918%0.181CC..Hα-helixtrans-61.2-37.8-177.2-174.6-56.9000112.5A472 A473 N478 A479 F481 L489 Y493 L548 L570 E573A472-H476 WeakPolarHBondContact O-CB 3.36Å; A472-H476 PolarHBondContact O-N 3.13Å; A473-H476 PolarHBondContact O-N 2.85Å; H476-N478 VanDerWaalsContact C-N 3.26Å; H476-N478 PolarHBondContact O-N 2.86Å; H476-A479 WeakPolarHBondContact O-CB 3.36Å; H476-A479 PolarHBondContact O-N 3.44Å; H476-F481 AromaticContact CE1-CZ 3.47Å; H476-F481 VanDerWaalsContact CE1-CZ 3.47Å; H476-F481 WeakPolarHBondContact CE1-CZ 3.19Å; H476-F481 AromaticContact ND1-CZ 3.97Å; H476-F481 AromaticContact NE2-CZ 3.95Å; H476-L489 WeakPolarHBondContact NE2-CD2 3.3Å; H476-Y493 AromaticContact CE1-CE2 3.41Å; H476-Y493 VanDerWaalsContact CE1-CE2 3.41Å; H476-Y493 WeakPolarHBondContact CE1-CE2 3.07Å; H476-Y493 AromaticContact CE1-CZ 3.71Å; H476-Y493 PolarHBondContact CE1-OH 3.01Å; H476-Y493 AromaticContact ND1-CZ 3.93Å; H476-Y493 PolarHBondContact ND1-OH 3.41Å; H476-L548 HydrophobicContact CB-CD2 4.3Å; H476-L570 HydrophobicContact CB-CD2 3.91Å; H476-E573 VanDerWaalsContact CA-OE1 3.25Å; H476-E573 WeakPolarHBondContact CA-OE1 3.27Å; H476-E573 VanDerWaalsContact CB-OE1 3.29Å; H476-E573 WeakPolarHBondContact CB-OE1 3.3Å; H476-E573 IonicContact CD2-OE1 3.89Å; H476-E573 PolarHBondContact CD2-OE1 3.49Å; H476-E573 IonicContact CG-OE1 2.97Å; H476-E573 IonicContact NE2-OE1 2.72Å
477L93.7Very high89.3Confident32 Ų3237.4 Ų37.417%0.16820%0.203CC..Hα-helixtrans-70.2-20.5177.9-73.3169.1000113.5A473 I475 C542 L548A473-L477 WeakPolarHBondContact O-CB 3.1Å; A473-L477 VanDerWaalsContact O-CG 3.22Å; A473-L477 WeakPolarHBondContact O-CG 3.48Å; A473-L477 PolarHBondContact O-N 3.39Å; I475-L477 VanDerWaalsContact C-N 3.31Å; I475-L477 PolarHBondContact O-N 3.07Å; L477-C542 VanDerWaalsContact CB-O 3.26Å; L477-C542 WeakPolarHBondContact CB-O 3.26Å; L477-L548 HydrophobicContact CD2-CD2 4.29Å; L477-L548 HydrophobicContact CG-CD2 4.02Å
478N94.4Very high88.6Confident38 Ų3840.5 Ų40.520%0.20322%0.224CC..Hα-helixtrans-102.90.5175.5-69.7-78.3000113.4A474 I475 H476 C542 V576 F577A474-N478 PolarHBondContact O-N 2.89Å; A474-N478 PolarHBondContact O-ND2 2.83Å; I475-N478 CarbonylContact O-C 3.57Å; I475-N478 PolarHBondContact O-N 3.35Å; H476-N478 VanDerWaalsContact C-N 3.26Å; H476-N478 PolarHBondContact O-N 2.86Å; N478-C542 PolarHBondContact ND2-O 3.01Å; N478-V576 HydrophobicContact CB-CG2 3.84Å; N478-F577 HydrophobicContact CB-CD2 4.47Å; N478-F577 HydrophobicContact CB-CE1 4.46Å; N478-F577 HydrophobicContact CB-CE2 3.65Å; N478-F577 HydrophobicContact CB-CZ 3.66Å; N478-F577 VanDerWaalsContact OD1-CZ 3.27Å; N478-F577 WeakPolarHBondContact OD1-CZ 3.06Å
479A91.6Very high87.8Confident14 Ų1440.6 Ų40.612%0.11623%0.225CC..EExtended strand (participates in β ladder)trans-73.4142-177.500000112.3I475 H476 F481 E573I475-A479 PolarHBondContact O-N 2.8Å; H476-A479 WeakPolarHBondContact O-CB 3.36Å; H476-A479 PolarHBondContact O-N 3.44Å; A479-F481 HydrophobicContact CB-CZ 4.38Å; A479-E573 HydrophobicContact CB-CB 3.79Å; A479-E573 HydrophobicContact CB-CG 3.48Å; A479-E573 VanDerWaalsContact CB-CG 3.48Å; A479-E573 WeakPolarHBondContact CB-OE2 3.37Å
480K86Confident87.3Confident134 Ų13445.7 Ų45.758%0.58324%0.244SC*.EExtended strand (participates in β ladder)trans-93.9123.3165.5-65175.5-176.6169.20108.3A574 T575K480-A574 WeakPolarHBondContact O-CB 3.42Å; K480-A574 PolarHBondContact O-N 3.19Å; K480-T575 PolarHBondContact N-O 3.21Å
481F80.2Confident86.9Confident82 Ų8253 Ų5336%0.3627%0.272SS..EExtended strand (participates in β ladder)trans-84.9132178.5-62.4-86000110.6H476 A479 L489 E573H476-F481 AromaticContact CE1-CZ 3.47Å; H476-F481 VanDerWaalsContact CE1-CZ 3.47Å; H476-F481 WeakPolarHBondContact CE1-CZ 3.19Å; H476-F481 AromaticContact ND1-CZ 3.97Å; H476-F481 AromaticContact NE2-CZ 3.95Å; A479-F481 HydrophobicContact CB-CZ 4.38Å; F481-L489 HydrophobicContact CE1-CD1 4.07Å; F481-E573 HydrophobicContact CD1-CG 4.4Å; F481-E573 HydrophobicContact CE1-CG 3.84Å; F481-E573 HydrophobicContact CZ-CG 4.35Å
482T73.6Confident86.6Confident113 Ų11353.7 Ų53.769%0.69328%0.276SS*.SBendtrans-79.7-21.3170.243.70000112.6A574T482-A574 HydrophobicContact CG2-CB 3.2Å
483S75.3Confident86.3Confident63 Ų6357 Ų5744%0.44129%0.288SS..SBendtrans-139.7170.4-170.368.40000111.6M485S483-M485 PolarHBondContact O-N 3.28Å
484V77.1Confident86.2Confident118 Ų11862.2 Ų62.272%0.71531%0.311SS*.PPolyproline II helixtrans-62.4128.3173177.40000109.1S486 R490V484-S486 PolarHBondContact O-N 3.45Å; V484-R490 VanDerWaalsContact CG1-NH2 3.34Å
485M74.9Confident86Confident61 Ų6167.5 Ų67.530%0.333%0.334SS..PPolyproline II helixtrans-48121.4178.1-176.7173.555.900111.8S483 L489 R490 Y493S483-M485 PolarHBondContact O-N 3.28Å; M485-L489 HydrophobicContact CG-CB 3.32Å; M485-L489 HydrophobicContact CG-CD1 4Å; M485-L489 HydrophobicContact CG-CG 4.33Å; M485-L489 HydrophobicContact SD-CB 3.94Å; M485-R490 HydrophobicContact CE-CB 4.25Å; M485-R490 HydrophobicContact CE-CG 3.36Å; M485-R490 HydrophobicContact CG-CG 4.06Å; M485-R490 PolarHBondContact O-NE 2.85Å; M485-R490 HydrophobicContact SD-CG 4.19Å; M485-Y493 HydrophobicContact SD-CD2 4.23Å; M485-Y493 HydrophobicContact SD-CE2 4.19Å
486S81Confident85.6Confident30 Ų3068.3 Ų68.321%0.2134%0.339CS..PPolyproline II helixtrans-61.3159.5179.362.70000112.7V484 S488 L489 R490 D572V484-S486 PolarHBondContact O-N 3.45Å; S486-S488 PolarHBondContact O-N 3.11Å; S486-S488 PolarHBondContact OG-OG 3.33Å; S486-L489 PolarHBondContact O-N 2.73Å; S486-L489 VanDerWaalsContact O-N 3.11Å; S486-L489 WeakPolarHBondContact OG-CG 3.49Å; S486-L489 PolarHBondContact OG-N 3.18Å; S486-R490 WeakPolarHBondContact O-CG 3.32Å; S486-R490 PolarHBondContact O-N 3.5Å; S486-D572 WeakPolarHBondContact CB-OD2 3.33Å; S486-D572 PolarHBondContact OG-OD2 3.3Å
487E83.9Confident85.4Confident97 Ų9774.1 Ų74.145%0.45337%0.37SS..Hα-helixtrans-65.1-30.3177.6-173.957.4-150.400112.1R490 R491 K494E487-R490 WeakPolarHBondContact OE2-CD 3.17Å; E487-R491 WeakPolarHBondContact O-CG 3.3Å; E487-R491 PolarHBondContact O-N 3.35Å; E487-R491 VanDerWaalsContact O-N 3.13Å; E487-K494 IonicContact OE1-NZ 3.92Å; E487-K494 PolarHBondContact OE1-NZ 3.19Å
488S81.7Confident85.2Confident64 Ų6473.9 Ų73.945%0.44837%0.368SS..Hα-helixtrans-56.9-47.9168.825.30000112.1S486 R491S486-S488 PolarHBondContact O-N 3.11Å; S486-S488 PolarHBondContact OG-OG 3.33Å; S488-R491 WeakPolarHBondContact O-CB 3.37Å; S488-R491 PolarHBondContact O-N 2.78Å
489L81.7Confident84.9Confident2 Ų278.9 Ų78.91%0.0139%0.39CS..Hα-helixtrans-68.5-42.6178.8-77-179.3000112.5H476 F481 M485 S486 R491 L492 A569 D572H476-L489 WeakPolarHBondContact NE2-CD2 3.3Å; F481-L489 HydrophobicContact CE1-CD1 4.07Å; M485-L489 HydrophobicContact CG-CB 3.32Å; M485-L489 HydrophobicContact CG-CD1 4Å; M485-L489 HydrophobicContact CG-CG 4.33Å; M485-L489 HydrophobicContact SD-CB 3.94Å; S486-L489 PolarHBondContact O-N 2.73Å; S486-L489 VanDerWaalsContact O-N 3.11Å; S486-L489 WeakPolarHBondContact OG-CG 3.49Å; S486-L489 PolarHBondContact OG-N 3.18Å; L489-R491 PolarHBondContact O-N 2.56Å; L489-R491 VanDerWaalsContact O-N 3.16Å; L489-L492 HydrophobicContact CD2-CD1 3.96Å; L489-L492 WeakPolarHBondContact O-CB 3.33Å; L489-L492 PolarHBondContact O-N 3.41Å; L489-A569 WeakPolarHBondContact CD2-O 3.42Å; L489-D572 HydrophobicContact CD1-CB 3.74Å; L489-D572 VanDerWaalsContact CD1-OD2 3.28Å; L489-D572 WeakPolarHBondContact CD1-OD2 3.34Å
490R86.1Confident84.9Confident108 Ų10880.4 Ų80.441%0.40840%0.4SS..Hα-helixtrans-55-36175.1-73.3171-169.6-165-1.6112.3V484 M485 S486 E487 L492 Y493V484-R490 VanDerWaalsContact CG1-NH2 3.34Å; M485-R490 HydrophobicContact CE-CB 4.25Å; M485-R490 HydrophobicContact CE-CG 3.36Å; M485-R490 HydrophobicContact CG-CG 4.06Å; M485-R490 PolarHBondContact O-NE 2.85Å; M485-R490 HydrophobicContact SD-CG 4.19Å; S486-R490 WeakPolarHBondContact O-CG 3.32Å; S486-R490 PolarHBondContact O-N 3.5Å; E487-R490 WeakPolarHBondContact OE2-CD 3.17Å; R490-L492 VanDerWaalsContact C-N 3.3Å; R490-L492 PolarHBondContact O-N 3.47Å; R490-Y493 PolarHBondContact O-N 3.25Å
491R89.5Confident85.1Confident152 Ų15280.4 Ų80.457%0.57440%0.402SS*.Hα-helixtrans-64.4-31.1177.1-75.8-177.2-67.9142.6-5.8113E487 S488 L489 Y493 K494E487-R491 WeakPolarHBondContact O-CG 3.3Å; E487-R491 PolarHBondContact O-N 3.35Å; E487-R491 VanDerWaalsContact O-N 3.13Å; S488-R491 WeakPolarHBondContact O-CB 3.37Å; S488-R491 PolarHBondContact O-N 2.78Å; L489-R491 PolarHBondContact O-N 2.56Å; L489-R491 VanDerWaalsContact O-N 3.16Å; R491-Y493 PolarHBondContact O-N 2.93Å; R491-K494 HydrophobicContact CG-CD 4.45Å; R491-K494 WeakPolarHBondContact O-CB 3.4Å; R491-K494 PolarHBondContact O-N 2.91Å
492L91.1Very high85.7Confident16 Ų1682.2 Ų82.28%0.08441%0.412CS..Hα-helixtrans-66.4-24.3178.9-62.6176.4000113.2L489 R490 L548 N551 L552 A569L489-L492 HydrophobicContact CD2-CD1 3.96Å; L489-L492 WeakPolarHBondContact O-CB 3.33Å; L489-L492 PolarHBondContact O-N 3.41Å; R490-L492 VanDerWaalsContact C-N 3.3Å; R490-L492 PolarHBondContact O-N 3.47Å; L492-L548 HydrophobicContact CB-CD1 3.72Å; L492-L548 HydrophobicContact CD1-CD1 4.19Å; L492-L548 WeakPolarHBondContact O-CA 2.83Å; L492-N551 HydrophobicContact CD2-CB 3.8Å; L492-N551 PolarHBondContact O-ND2 3.4Å; L492-L552 HydrophobicContact CD1-CD2 4.02Å; L492-L552 HydrophobicContact CD2-CD2 4.42Å; L492-A569 HydrophobicContact CD1-CB 4.29Å
493Y90.9Very high86.6Confident68 Ų6879.5 Ų79.527%0.26739%0.391SS..THydrogen-bonded Turntrans-89.5-12.3176.5-75.8-85.1000114.3H476 M485 R490 R491 K547 L548H476-Y493 AromaticContact CE1-CE2 3.41Å; H476-Y493 VanDerWaalsContact CE1-CE2 3.41Å; H476-Y493 WeakPolarHBondContact CE1-CE2 3.07Å; H476-Y493 AromaticContact CE1-CZ 3.71Å; H476-Y493 PolarHBondContact CE1-OH 3.01Å; H476-Y493 AromaticContact ND1-CZ 3.93Å; H476-Y493 PolarHBondContact ND1-OH 3.41Å; M485-Y493 HydrophobicContact SD-CD2 4.23Å; M485-Y493 HydrophobicContact SD-CE2 4.19Å; R490-Y493 PolarHBondContact O-N 3.25Å; R491-Y493 PolarHBondContact O-N 2.93Å; Y493-K547 PolarHBondContact O-NZ 3.25Å; Y493-L548 HydrophobicContact CE1-CD2 4.23Å
494K92.9Very high87.5Confident110 Ų11081.6 Ų81.648%0.47839%0.389SS..SBendtrans-68.4146.3178.3-69.2-179.7-174.2168.20109.4E487 R491 P496 N551E487-K494 IonicContact OE1-NZ 3.92Å; E487-K494 PolarHBondContact OE1-NZ 3.19Å; R491-K494 HydrophobicContact CG-CD 4.45Å; R491-K494 WeakPolarHBondContact O-CB 3.4Å; R491-K494 PolarHBondContact O-N 2.91Å; K494-P496 VanDerWaalsContact O-CD 3.26Å; K494-P496 WeakPolarHBondContact O-CD 3.21Å; K494-N551 PolarHBondContact O-ND2 3.44Å
495K92Very high88.2Confident113 Ų11379.3 Ų79.349%0.49137%0.373SS..PPolyproline II helixtrans-62.4119.7172.4-176.1174.1-179.2160.30108.2E45 F48 K547E45-K495 IonicContact OE1-NZ 3.75Å; E45-K495 WeakPolarHBondContact OE2-CD 3.34Å; E45-K495 VanDerWaalsContact OE2-CE 3.27Å; E45-K495 WeakPolarHBondContact OE2-CE 3.43Å; E45-K495 IonicContact OE2-NZ 3.5Å; E45-K495 PolarHBondContact OE2-NZ 3.34Å; F48-K495 HydrophobicContact CE2-CG 3.96Å; K495-K547 HydrophobicContact CB-CD 4.25Å
496P87.8Confident89.2Confident17 Ų1779.3 Ų79.311%0.1137%0.37CS..PPolyproline II helixtrans-63.2140.8175.6-9.518.5000110.7F48 K494 F550 N551F48-P496 HydrophobicContact CD1-CG 4.41Å; F48-P496 HydrophobicContact CE1-CB 4.34Å; F48-P496 HydrophobicContact CE1-CG 3.62Å; F48-P496 HydrophobicContact CE2-CG 4.43Å; F48-P496 HydrophobicContact CZ-CB 4.18Å; F48-P496 VanDerWaalsContact CZ-CD 3.49Å; F48-P496 HydrophobicContact CZ-CG 3.64Å; K494-P496 VanDerWaalsContact O-CD 3.26Å; K494-P496 WeakPolarHBondContact O-CD 3.21Å; P496-F550 HydrophobicContact CB-CD1 3.9Å; P496-F550 HydrophobicContact CB-CE1 3.84Å; P496-F550 HydrophobicContact CG-CD1 3.44Å; P496-F550 VanDerWaalsContact CG-CD1 3.44Å; P496-F550 HydrophobicContact CG-CE1 3.92Å; P496-N551 WeakPolarHBondContact CG-OD1 3.24Å
497L88.4Confident89.8Confident125 Ų12577.9 Ų77.965%0.65436%0.36SS*.PPolyproline II helixtrans-90.4128.1170.6-167.464.2000108.7E499L497-E499 HydrophobicContact CD2-CG 3.85Å; L497-E499 WeakPolarHBondContact CD2-OE1 3.37Å; L497-E499 HydrophobicContact CG-CG 3.68Å
498I88.4Confident90.4Very high26 Ų2675 Ų7513%0.13335%0.346CS..  trans-113.397.1-177.4-59167.2000107.7F48 E503 R504 Y507F48-I498 HydrophobicContact CE1-CD1 4.31Å; F48-I498 HydrophobicContact CZ-CD1 4.16Å; I498-E503 HydrophobicContact CG2-CB 4.09Å; I498-R504 HydrophobicContact CG2-CB 3.99Å; I498-Y507 HydrophobicContact CD1-CD1 3.83Å; I498-Y507 HydrophobicContact CD1-CD2 3.5Å; I498-Y507 VanDerWaalsContact CD1-CD2 3.5Å; I498-Y507 HydrophobicContact CD1-CE1 4.32Å; I498-Y507 HydrophobicContact CD1-CE2 4.01Å; I498-Y507 HydrophobicContact CD1-CG 3.39Å
499E88.7Confident91Very high143 Ų14373.9 Ų73.967%0.66834%0.336SS*.  trans-107.2-45.7-173.3-56.6-172.2135.900111.6L497 E503L497-E499 HydrophobicContact CD2-CG 3.85Å; L497-E499 WeakPolarHBondContact CD2-OE1 3.37Å; L497-E499 HydrophobicContact CG-CG 3.68Å; E499-E503 PolarHBondContact N-OE2 2.98Å
500S91.9Very high91.8Very high46 Ų4673.8 Ų73.832%0.32234%0.335SS..SBendtrans-84.5155.4-175.170.90000112.7Q502 E503 R504S500-Q502 PolarHBondContact O-N 3.44Å; S500-E503 WeakPolarHBondContact CB-OE2 3.45Å; S500-E503 PolarHBondContact N-OE2 3.41Å; S500-E503 PolarHBondContact O-N 3.38Å; S500-E503 WeakPolarHBondContact OG-CB 3.42Å; S500-E503 WeakPolarHBondContact OG-CG 3.41Å; S500-E503 PolarHBondContact OG-N 3.2Å; S500-E503 VanDerWaalsContact OG-N 3.09Å; S500-E503 PolarHBondContact OG-OE2 2.94Å; S500-R504 PolarHBondContact O-N 3.23Å
501H90.9Very high92.2Very high134 Ų13468.6 Ų68.662%0.6232%0.316SS*.Hα-helixtrans-58.2-35.9172.3-178.767.7000112.1R504 N505H501-R504 PolarHBondContact O-N 3.45Å; H501-N505 PolarHBondContact CD2-ND2 2.76Å; H501-N505 PolarHBondContact NE2-ND2 3.09Å; H501-N505 VanDerWaalsContact O-CG 3.29Å; H501-N505 PolarHBondContact O-N 3.12Å; H501-N505 PolarHBondContact O-ND2 3.19Å
502Q92.7Very high92.6Very high121 Ų12161.4 Ų61.457%0.56529%0.289SS*.Hα-helixtrans-68.1-42.7178.6-170.8177.61100112.1S500 R504 N505 R506S500-Q502 PolarHBondContact O-N 3.44Å; Q502-R504 VanDerWaalsContact C-N 3.32Å; Q502-N505 PolarHBondContact O-N 3.47Å; Q502-R506 WeakPolarHBondContact O-CG 3.31Å; Q502-R506 PolarHBondContact O-N 3.09Å
503E92.6Very high92.9Very high55 Ų5560.7 Ų60.726%0.25729%0.285SS..Hα-helixtrans-63.5-39.8174.9-72.9159.3153.700111.5I498 E499 S500 N505 R506 Y507I498-E503 HydrophobicContact CG2-CB 4.09Å; E499-E503 PolarHBondContact N-OE2 2.98Å; S500-E503 WeakPolarHBondContact CB-OE2 3.45Å; S500-E503 PolarHBondContact N-OE2 3.41Å; S500-E503 PolarHBondContact O-N 3.38Å; S500-E503 WeakPolarHBondContact OG-CB 3.42Å; S500-E503 WeakPolarHBondContact OG-CG 3.41Å; S500-E503 PolarHBondContact OG-N 3.2Å; S500-E503 VanDerWaalsContact OG-N 3.09Å; S500-E503 PolarHBondContact OG-OE2 2.94Å; E503-N505 VanDerWaalsContact C-N 3.34Å; E503-N505 PolarHBondContact O-N 2.96Å; E503-R506 PolarHBondContact O-N 3.37Å; E503-Y507 WeakPolarHBondContact O-CB 3.39Å; E503-Y507 PolarHBondContact O-N 2.9Å
504R92.5Very high93.2Very high108 Ų10857.4 Ų57.441%0.40827%0.272SS..Hα-helixtrans-60.4-43.7175.4-167.6-177.8-58-178.91.5111.9I498 S500 H501 Q502 Y507 F508I498-R504 HydrophobicContact CG2-CB 3.99Å; S500-R504 PolarHBondContact O-N 3.23Å; H501-R504 PolarHBondContact O-N 3.45Å; Q502-R504 VanDerWaalsContact C-N 3.32Å; R504-Y507 WeakPolarHBondContact O-CB 3.42Å; R504-Y507 PolarHBondContact O-N 3.4Å; R504-F508 HydrophobicContact CG-CD2 4.23Å; R504-F508 HydrophobicContact CG-CE1 4.09Å; R504-F508 HydrophobicContact CG-CE2 3.68Å; R504-F508 HydrophobicContact CG-CZ 3.61Å; R504-F508 WeakPolarHBondContact O-CG 3.16Å; R504-F508 PolarHBondContact O-N 2.85Å
505N93.1Very high93.4Very high69 Ų6952.3 Ų52.337%0.36925%0.25SS..Hα-helixtrans-65.4-38.3176.6-69.1-16.8000112.3H501 Q502 E503 T509H501-N505 PolarHBondContact CD2-ND2 2.76Å; H501-N505 PolarHBondContact NE2-ND2 3.09Å; H501-N505 VanDerWaalsContact O-CG 3.29Å; H501-N505 PolarHBondContact O-N 3.12Å; H501-N505 PolarHBondContact O-ND2 3.19Å; Q502-N505 PolarHBondContact O-N 3.47Å; E503-N505 VanDerWaalsContact C-N 3.34Å; E503-N505 PolarHBondContact O-N 2.96Å; N505-T509 WeakPolarHBondContact O-CB 3.35Å; N505-T509 PolarHBondContact O-N 3.23Å; N505-T509 PolarHBondContact O-OG1 2.98Å
506R94.8Very high93.7Very high61 Ų6147 Ų4723%0.2323%0.227CC..Hα-helixtrans-64.3-43.5173.5-69.9175.9-169.5169.14.6111.3Q502 E503 T509 F510 Y553 L557Q502-R506 WeakPolarHBondContact O-CG 3.31Å; Q502-R506 PolarHBondContact O-N 3.09Å; E503-R506 PolarHBondContact O-N 3.37Å; R506-T509 PolarHBondContact O-N 2.87Å; R506-F510 WeakPolarHBondContact O-CB 3.36Å; R506-F510 PolarHBondContact O-N 2.99Å; R506-Y553 HydrophobicContact CB-CE1 4.35Å; R506-L557 HydrophobicContact CB-CD1 4.48Å; R506-L557 HydrophobicContact CG-CD1 3.89Å
507Y94.9Very high94.2Very high0 Ų046.1 Ų46.10%022%0.222CC..Hα-helixtrans-59.4-50.7175.8167.1-107000111.9S47 F48 M106 I498 E503 R504 T509 F510 V511 F550S47-Y507 VanDerWaalsContact O-CE2 3.26Å; S47-Y507 WeakPolarHBondContact O-CE2 3.29Å; S47-Y507 VanDerWaalsContact O-CZ 3.3Å; S47-Y507 PolarHBondContact O-OH 3Å; F48-Y507 HydrophobicContact CD1-CD2 4.06Å; F48-Y507 AromaticContact CD1-CE2 3.81Å; F48-Y507 HydrophobicContact CD1-CE2 3.81Å; F48-Y507 AromaticContact CE1-CD2 3.69Å; F48-Y507 HydrophobicContact CE1-CD2 3.69Å; F48-Y507 AromaticContact CE1-CE2 3.66Å; F48-Y507 HydrophobicContact CE1-CE2 3.66Å; F48-Y507 HydrophobicContact CG-CE2 4.46Å; F48-Y507 HydrophobicContact CZ-CD2 4.45Å; F48-Y507 HydrophobicContact CZ-CE2 4.2Å; M106-Y507 HydrophobicContact SD-CE1 4.2Å; I498-Y507 HydrophobicContact CD1-CD1 3.83Å; I498-Y507 HydrophobicContact CD1-CD2 3.5Å; I498-Y507 VanDerWaalsContact CD1-CD2 3.5Å; I498-Y507 HydrophobicContact CD1-CE1 4.32Å; I498-Y507 HydrophobicContact CD1-CE2 4.01Å; I498-Y507 HydrophobicContact CD1-CG 3.39Å; E503-Y507 WeakPolarHBondContact O-CB 3.39Å; E503-Y507 PolarHBondContact O-N 2.9Å; R504-Y507 WeakPolarHBondContact O-CB 3.42Å; R504-Y507 PolarHBondContact O-N 3.4Å; Y507-T509 VanDerWaalsContact C-N 3.34Å; Y507-T509 PolarHBondContact O-N 3.49Å; Y507-F510 PolarHBondContact O-N 2.88Å; Y507-V511 HydrophobicContact CD2-CG2 3.7Å; Y507-V511 HydrophobicContact CE1-CG2 4.29Å; Y507-V511 HydrophobicContact CE2-CG2 3.31Å; Y507-V511 HydrophobicContact CG-CG2 4.34Å; Y507-V511 WeakPolarHBondContact O-CB 3.29Å; Y507-V511 WeakPolarHBondContact O-CG2 3.43Å; Y507-V511 PolarHBondContact O-N 2.98Å; Y507-F550 VanDerWaalsContact CA-CE2 3.46Å; Y507-F550 HydrophobicContact CD2-CE2 4.48Å; Y507-F550 HydrophobicContact CD2-CZ 4.43Å
508F95Very high94.6Very high38 Ų3840.2 Ų40.217%0.16719%0.19CC..Hα-helixtrans-61.1-42.6178-66.8-16.5000113M106 R504 H512M106-F508 HydrophobicContact CB-CE1 4Å; M106-F508 HydrophobicContact CB-CZ 4.46Å; M106-F508 HydrophobicContact CE-CB 4.02Å; M106-F508 HydrophobicContact CE-CD1 3.12Å; M106-F508 HydrophobicContact CE-CE1 3.62Å; M106-F508 HydrophobicContact CE-CG 3.71Å; M106-F508 WeakPolarHBondContact O-CE1 3.36Å; M106-F508 VanDerWaalsContact O-CZ 3.24Å; M106-F508 WeakPolarHBondContact O-CZ 3.42Å; M106-F508 HydrophobicContact SD-CD1 4.02Å; M106-F508 HydrophobicContact SD-CE1 4.16Å; R504-F508 HydrophobicContact CG-CD2 4.23Å; R504-F508 HydrophobicContact CG-CE1 4.09Å; R504-F508 HydrophobicContact CG-CE2 3.68Å; R504-F508 HydrophobicContact CG-CZ 3.61Å; R504-F508 WeakPolarHBondContact O-CG 3.16Å; R504-F508 PolarHBondContact O-N 2.85Å; F508-H512 WeakPolarHBondContact O-CB 3.49Å; F508-H512 PolarHBondContact O-N 3.34Å; F508-H512 VanDerWaalsContact O-N 3.1Å
509T95.9Very high95.1Very high39 Ų3939 Ų3924%0.23918%0.184CC..Hα-helixtrans-59.2-49.9175.4-60.90000111.1I462 N505 R506 Y507 A513I462-T509 HydrophobicContact CB-CG2 4.39Å; I462-T509 HydrophobicContact CD1-CG2 3.74Å; I462-T509 HydrophobicContact CG1-CG2 3.97Å; I462-T509 HydrophobicContact CG2-CG2 3.49Å; I462-T509 VanDerWaalsContact CG2-CG2 3.49Å; N505-T509 WeakPolarHBondContact O-CB 3.35Å; N505-T509 PolarHBondContact O-N 3.23Å; N505-T509 PolarHBondContact O-OG1 2.98Å; R506-T509 PolarHBondContact O-N 2.87Å; Y507-T509 VanDerWaalsContact C-N 3.34Å; Y507-T509 PolarHBondContact O-N 3.49Å; T509-A513 VanDerWaalsContact O-CB 3.3Å; T509-A513 WeakPolarHBondContact O-CB 3.44Å; T509-A513 PolarHBondContact O-N 3.01Å; T509-A513 VanDerWaalsContact O-N 3.07Å
510F96.9Very high95.5Very high0 Ų032.1 Ų32.10%015%0.152CC..Hα-helixtrans-63.4-49.8179.3171.4-94.3000112.2V466 R506 Y507 H512 A513 A514 A549 F550 Y553V466-F510 HydrophobicContact CG1-CD2 4.45Å; V466-F510 HydrophobicContact CG2-CD2 4.2Å; R506-F510 WeakPolarHBondContact O-CB 3.36Å; R506-F510 PolarHBondContact O-N 2.99Å; Y507-F510 PolarHBondContact O-N 2.88Å; F510-H512 VanDerWaalsContact C-N 3.29Å; F510-H512 PolarHBondContact O-N 3.38Å; F510-A513 PolarHBondContact O-N 2.93Å; F510-A514 HydrophobicContact CE1-CB 4.2Å; F510-A514 HydrophobicContact CE2-CB 4.46Å; F510-A514 HydrophobicContact CZ-CB 4.11Å; F510-A514 VanDerWaalsContact O-CB 3.28Å; F510-A514 WeakPolarHBondContact O-CB 3.26Å; F510-A514 PolarHBondContact O-N 2.98Å; F510-A549 HydrophobicContact CE2-CB 4.05Å; F510-A549 HydrophobicContact CZ-CB 3.64Å; F510-F550 HydrophobicContact CB-CD2 3.69Å; F510-F550 HydrophobicContact CB-CE2 3.98Å; F510-F550 HydrophobicContact CD1-CB 3.89Å; F510-F550 AromaticContact CD1-CD2 3.49Å; F510-F550 HydrophobicContact CD1-CD2 3.49Å; F510-F550 VanDerWaalsContact CD1-CD2 3.49Å; F510-F550 HydrophobicContact CD1-CE2 4.46Å; F510-F550 HydrophobicContact CD1-CG 4.1Å; F510-F550 HydrophobicContact CD2-CD2 4.21Å; F510-F550 HydrophobicContact CE1-CB 3.67Å; F510-F550 HydrophobicContact CE1-CD2 4.18Å; F510-F550 HydrophobicContact CE1-CG 4.38Å; F510-F550 HydrophobicContact CE2-CB 4.5Å; F510-F550 HydrophobicContact CG-CB 4.42Å; F510-F550 AromaticContact CG-CD2 3.52Å; F510-F550 HydrophobicContact CG-CD2 3.52Å; F510-F550 HydrophobicContact CG-CE2 4.32Å; F510-F550 HydrophobicContact CG-CG 4.44Å; F510-F550 HydrophobicContact CZ-CB 4.01Å; F510-Y553 HydrophobicContact CB-CD1 3.82Å; F510-Y553 HydrophobicContact CB-CE1 3.84Å; F510-Y553 AromaticContact CD2-CD1 3.9Å; F510-Y553 HydrophobicContact CD2-CD1 3.9Å; F510-Y553 HydrophobicContact CD2-CD2 4.43Å; F510-Y553 AromaticContact CD2-CG 3.79Å; F510-Y553 HydrophobicContact CD2-CG 3.79Å; F510-Y553 HydrophobicContact CG-CD1 4.18Å
511V95.9Very high95.8Very high0 Ų030 Ų300%014%0.137CC..Hα-helixtrans-56-46.6-177.6156.40000110.9C49 M106 L353 Y507 N515C49-V511 WeakPolarHBondContact SG-CA 3.48Å; C49-V511 WeakPolarHBondContact SG-CG1 3.38Å; C49-V511 PolarHBondContact SG-O 2.61Å; C49-V511 VanDerWaalsContact SG-O 3.38Å; M106-V511 HydrophobicContact CE-CG1 4.18Å; M106-V511 HydrophobicContact SD-CB 4.47Å; M106-V511 HydrophobicContact SD-CG1 3.69Å; L353-V511 HydrophobicContact CB-CG1 3.87Å; L353-V511 VanDerWaalsContact O-CG1 3.29Å; L353-V511 WeakPolarHBondContact O-CG1 3.4Å; Y507-V511 HydrophobicContact CD2-CG2 3.7Å; Y507-V511 HydrophobicContact CE1-CG2 4.29Å; Y507-V511 HydrophobicContact CE2-CG2 3.31Å; Y507-V511 HydrophobicContact CG-CG2 4.34Å; Y507-V511 WeakPolarHBondContact O-CB 3.29Å; Y507-V511 WeakPolarHBondContact O-CG2 3.43Å; Y507-V511 PolarHBondContact O-N 2.98Å; V511-N515 WeakPolarHBondContact O-CB 3.37Å; V511-N515 PolarHBondContact O-N 3.17Å
512H96.6Very high96Very high1 Ų125.1 Ų25.11%0.00512%0.116CC..Hα-helixtrans-63.8-51178.2-171.782.5000111.8E354 N355 L358 H359 F508 F510 A514 N515 Q516E354-H512 IonicContact OE2-CE1 2.88Å; N355-H512 HydrophobicContact CB-CB 4.23Å; N355-H512 PolarHBondContact N-ND1 3.33Å; L358-H512 HydrophobicContact CD1-CB 4.47Å; H359-H512 PolarHBondContact O-CE1 3.15Å; F508-H512 WeakPolarHBondContact O-CB 3.49Å; F508-H512 PolarHBondContact O-N 3.34Å; F508-H512 VanDerWaalsContact O-N 3.1Å; F510-H512 VanDerWaalsContact C-N 3.29Å; F510-H512 PolarHBondContact O-N 3.38Å; H512-A514 PolarHBondContact O-N 3.41Å; H512-N515 PolarHBondContact O-N 2.79Å; H512-Q516 PolarHBondContact NE2-NE2 3.11Å; H512-Q516 WeakPolarHBondContact O-CG 3.33Å; H512-Q516 PolarHBondContact O-N 2.96Å
513A97.6Very high96.2Very high0 Ų019.6 Ų19.60%09%0.09CC..Hα-helixtrans-62-41.1-18000000112.8W452 I462 V466 T509 F510 Q516 W517W452-A513 HydrophobicContact CZ2-CB 3.95Å; W452-A513 WeakPolarHBondContact CZ2-O 3.35Å; I462-A513 HydrophobicContact CG2-CB 4.46Å; V466-A513 HydrophobicContact CB-CB 4.37Å; V466-A513 HydrophobicContact CG1-CB 4.07Å; V466-A513 HydrophobicContact CG2-CB 3.98Å; T509-A513 VanDerWaalsContact O-CB 3.3Å; T509-A513 WeakPolarHBondContact O-CB 3.44Å; T509-A513 PolarHBondContact O-N 3.01Å; T509-A513 VanDerWaalsContact O-N 3.07Å; F510-A513 PolarHBondContact O-N 2.93Å; A513-Q516 WeakPolarHBondContact O-CB 3.31Å; A513-Q516 PolarHBondContact O-N 2.99Å; A513-W517 PolarHBondContact O-N 3.41Å; A513-W517 VanDerWaalsContact O-N 3.12Å
514A97.8Very high96.4Very high0 Ų017 Ų170%08%0.078CC..Hα-helixtrans-65-40.5176.200000111.4F510 H512 W517 Q518 F544F510-A514 HydrophobicContact CE1-CB 4.2Å; F510-A514 HydrophobicContact CE2-CB 4.46Å; F510-A514 HydrophobicContact CZ-CB 4.11Å; F510-A514 VanDerWaalsContact O-CB 3.28Å; F510-A514 WeakPolarHBondContact O-CB 3.26Å; F510-A514 PolarHBondContact O-N 2.98Å; H512-A514 PolarHBondContact O-N 3.41Å; A514-W517 PolarHBondContact O-N 3.42Å; A514-Q518 VanDerWaalsContact O-CG 3.31Å; A514-Q518 WeakPolarHBondContact O-CG 3.4Å; A514-Q518 PolarHBondContact O-N 3.48Å; A514-F544 HydrophobicContact CB-CE2 4.44Å; A514-F544 HydrophobicContact CB-CZ 4.39Å
515N97.6Very high96.6Very high2 Ų212 Ų121%0.0116%0.059CC..Hα-helixtrans-72.9-27.2176.3-84.3-35000113.9C49 V352 L353 V361 V511 H512 Q518 S519C49-N515 PolarHBondContact SG-ND2 2.68Å; V352-N515 HydrophobicContact CG2-CB 4.1Å; L353-N515 PolarHBondContact O-ND2 3.21Å; V361-N515 HydrophobicContact CB-CB 4.4Å; V361-N515 HydrophobicContact CG1-CB 3.99Å; V511-N515 WeakPolarHBondContact O-CB 3.37Å; V511-N515 PolarHBondContact O-N 3.17Å; H512-N515 PolarHBondContact O-N 2.79Å; N515-Q518 PolarHBondContact O-N 2.93Å; N515-Q518 PolarHBondContact OD1-NE2 3.29Å; N515-S519 PolarHBondContact O-N 2.86Å
516Q97.8Very high96.7Very high1 Ų18.8 Ų8.81%0.0054%0.042CC..Hα-helixtrans-59.3-51.5166.4-76.4-177.3-33.900110.8V361 C364 W452 S456 S457 S458 H512 A513 Q518 S519 C520V361-Q516 HydrophobicContact CB-CG 3.99Å; V361-Q516 HydrophobicContact CG1-CG 4.08Å; C364-Q516 VanDerWaalsContact SG-CB 3.59Å; C364-Q516 PolarHBondContact SG-O 3.31Å; W452-Q516 VanDerWaalsContact NE1-CB 3.29Å; S456-Q516 PolarHBondContact OG-OE1 3.38Å; S457-Q516 PolarHBondContact OG-NE2 3.37Å; S458-Q516 PolarHBondContact OG-OE1 2.98Å; H512-Q516 PolarHBondContact NE2-NE2 3.11Å; H512-Q516 WeakPolarHBondContact O-CG 3.33Å; H512-Q516 PolarHBondContact O-N 2.96Å; A513-Q516 WeakPolarHBondContact O-CB 3.31Å; A513-Q516 PolarHBondContact O-N 2.99Å; Q516-Q518 PolarHBondContact O-N 3.15Å; Q516-S519 WeakPolarHBondContact O-CB 3.29Å; Q516-S519 PolarHBondContact O-N 2.89Å; Q516-C520 PolarHBondContact O-N 2.84Å; Q516-C520 VanDerWaalsContact O-N 3.12Å
517W97.8Very high96.8Very high0 Ų05.9 Ų5.90%03%0.031CC..Hα-helixtrans-59.2-45.5175.6165.167.5000112.3F445 S448 L449 W452 L470 A513 A514 S519 C520 L521 F544F445-W517 HydrophobicContact CD2-CH2 4.24Å; F445-W517 AromaticContact CD2-CZ2 3.47Å; F445-W517 HydrophobicContact CD2-CZ2 3.47Å; F445-W517 VanDerWaalsContact CD2-CZ2 3.47Å; F445-W517 AromaticContact CE2-CH2 3.95Å; F445-W517 HydrophobicContact CE2-CH2 3.95Å; F445-W517 AromaticContact CE2-CZ2 3.39Å; F445-W517 HydrophobicContact CE2-CZ2 3.39Å; S448-W517 PolarHBondContact OG-NE1 2.9Å; L449-W517 VanDerWaalsContact CD2-CD1 3.49Å; L449-W517 HydrophobicContact CD2-CD2 4.5Å; L449-W517 HydrophobicContact CD2-CG 4.02Å; W452-W517 HydrophobicContact CB-CB 4.45Å; W452-W517 HydrophobicContact CD2-CB 3.72Å; W452-W517 HydrophobicContact CE3-CB 3.87Å; W452-W517 HydrophobicContact CE3-CG 4.38Å; W452-W517 HydrophobicContact CG-CB 3.96Å; W452-W517 HydrophobicContact CZ3-CB 4.43Å; L470-W517 HydrophobicContact CD1-CB 4.02Å; L470-W517 HydrophobicContact CD1-CD2 3.73Å; L470-W517 HydrophobicContact CD1-CE3 3.86Å; L470-W517 HydrophobicContact CD1-CG 3.77Å; L470-W517 HydrophobicContact CD2-CE3 3.88Å; L470-W517 HydrophobicContact CD2-CZ3 4.05Å; A513-W517 PolarHBondContact O-N 3.41Å; A513-W517 VanDerWaalsContact O-N 3.12Å; A514-W517 PolarHBondContact O-N 3.42Å; W517-S519 PolarHBondContact O-N 2.98Å; W517-C520 CarbonylContact O-C 3.6Å; W517-C520 WeakPolarHBondContact O-CA 3.45Å; W517-C520 WeakPolarHBondContact O-CB 3.27Å; W517-C520 PolarHBondContact O-N 3.39Å; W517-L521 HydrophobicContact CH2-CD2 3.71Å; W517-L521 HydrophobicContact CZ2-CB 4.27Å; W517-L521 HydrophobicContact CZ2-CD2 3.55Å; W517-L521 HydrophobicContact CZ2-CG 4.41Å; W517-L521 PolarHBondContact O-N 3.36Å; W517-F544 HydrophobicContact CE3-CD2 4.49Å; W517-F544 HydrophobicContact CH2-CB 4.06Å; W517-F544 HydrophobicContact CH2-CD2 4.35Å; W517-F544 HydrophobicContact CH2-CG 4.38Å; W517-F544 HydrophobicContact CZ3-CB 4.08Å; W517-F544 AromaticContact CZ3-CD2 3.65Å; W517-F544 HydrophobicContact CZ3-CD2 3.65Å; W517-F544 HydrophobicContact CZ3-CE2 4.25Å; W517-F544 AromaticContact CZ3-CG 3.9Å; W517-F544 HydrophobicContact CZ3-CG 3.9Å
518Q98Very high96.9Very high0 Ų05.9 Ų5.90%03%0.031CC..Hα-helixtrans-60.6-35.3177.8-71.4-1758400112.1C49 Y52 M116 L117 A514 N515 Q516 L521 D522C49-Q518 PolarHBondContact O-NE2 3.4Å; C49-Q518 PolarHBondContact O-OE1 2.97Å; Y52-Q518 VanDerWaalsContact CZ-OE1 3.25Å; Y52-Q518 PolarHBondContact OH-OE1 2.98Å; M116-Q518 HydrophobicContact CB-CB 4.28Å; M116-Q518 HydrophobicContact CG-CB 4.45Å; L117-Q518 HydrophobicContact CD1-CB 4.26Å; L117-Q518 HydrophobicContact CD1-CG 4.22Å; A514-Q518 VanDerWaalsContact O-CG 3.31Å; A514-Q518 WeakPolarHBondContact O-CG 3.4Å; A514-Q518 PolarHBondContact O-N 3.48Å; N515-Q518 PolarHBondContact O-N 2.93Å; N515-Q518 PolarHBondContact OD1-NE2 3.29Å; Q516-Q518 PolarHBondContact O-N 3.15Å; Q518-L521 PolarHBondContact O-N 3.15Å; Q518-D522 WeakPolarHBondContact O-CB 3.24Å; Q518-D522 PolarHBondContact O-N 2.86Å
519S97.5Very high96.9Very high0 Ų04.5 Ų4.50%03%0.026CC..Hα-helixtrans-63.7-40.4171.9-178.30000112.1H362 S365 N515 Q516 W517 L521 T523H362-S519 PolarHBondContact ND1-OG 3.29Å; S365-S519 PolarHBondContact OG-OG 2.87Å; N515-S519 PolarHBondContact O-N 2.86Å; Q516-S519 WeakPolarHBondContact O-CB 3.29Å; Q516-S519 PolarHBondContact O-N 2.89Å; W517-S519 PolarHBondContact O-N 2.98Å; S519-L521 VanDerWaalsContact C-N 3.34Å; S519-T523 WeakPolarHBondContact O-CB 3.44Å; S519-T523 PolarHBondContact O-N 3.22Å; S519-T523 PolarHBondContact O-OG1 3.31Å
520C97.5Very high96.9Very high0 Ų03.2 Ų3.20%02%0.017CC..Hα-helixtrans-63-40.4172.8-67.80000111.7W452 Q516 W517 I524W452-C520 HydrophobicContact CB-CB 4.23Å; Q516-C520 PolarHBondContact O-N 2.84Å; Q516-C520 VanDerWaalsContact O-N 3.12Å; W517-C520 CarbonylContact O-C 3.6Å; W517-C520 WeakPolarHBondContact O-CA 3.45Å; W517-C520 WeakPolarHBondContact O-CB 3.27Å; W517-C520 PolarHBondContact O-N 3.39Å; C520-I524 VanDerWaalsContact O-CB 3.31Å; C520-I524 WeakPolarHBondContact O-CB 3.48Å; C520-I524 WeakPolarHBondContact O-CG2 3.34Å; C520-I524 PolarHBondContact O-N 3.06Å
521L97.5Very high96.8Very high0 Ų03.2 Ų3.20%02%0.017CC..Hα-helixtrans-66.9-40.9177.617960.3000112.5L117 W517 Q518 S519 I524 Q525 A538 V540L117-L521 HydrophobicContact CD1-CD2 3.74Å; L117-L521 HydrophobicContact CD1-CG 4.25Å; W517-L521 HydrophobicContact CH2-CD2 3.71Å; W517-L521 HydrophobicContact CZ2-CB 4.27Å; W517-L521 HydrophobicContact CZ2-CD2 3.55Å; W517-L521 HydrophobicContact CZ2-CG 4.41Å; W517-L521 PolarHBondContact O-N 3.36Å; Q518-L521 PolarHBondContact O-N 3.15Å; S519-L521 VanDerWaalsContact C-N 3.34Å; L521-I524 HydrophobicContact CD1-CG2 4.27Å; L521-I524 WeakPolarHBondContact O-CG2 3.44Å; L521-Q525 HydrophobicContact CD1-CG 4.33Å; L521-Q525 WeakPolarHBondContact O-CB 3.31Å; L521-Q525 VanDerWaalsContact O-CG 3.29Å; L521-Q525 WeakPolarHBondContact O-CG 3.05Å; L521-Q525 PolarHBondContact O-N 3.43Å; L521-Q525 VanDerWaalsContact O-N 3.15Å; L521-Q525 PolarHBondContact O-NE2 3.3Å; L521-A538 HydrophobicContact CD1-CB 3.94Å; L521-V540 HydrophobicContact CD2-CG2 4.3Å
522D96.7Very high96.8Very high32 Ų327.7 Ų7.717%0.1714%0.04CC..Hα-helixtrans-61.2-52174.2174.649.1000110.7M116 L117 R334 Q518 I524 Q525 C526M116-D522 HydrophobicContact CG-CB 4.29Å; L117-D522 HydrophobicContact CD2-CB 3.62Å; R334-D522 IonicContact NH1-OD1 2.85Å; Q518-D522 WeakPolarHBondContact O-CB 3.24Å; Q518-D522 PolarHBondContact O-N 2.86Å; D522-I524 PolarHBondContact O-N 2.93Å; D522-Q525 PolarHBondContact O-N 3.4Å; D522-C526 PolarHBondContact O-N 3.15Å; D522-C526 PolarHBondContact O-SG 2.94Å; D522-C526 VanDerWaalsContact O-SG 3.35Å
523T96.7Very high96.8Very high5 Ų512.2 Ų12.23%0.0316%0.061CC..Hα-helixtrans-67.6-37.4-175.6-51.70000111.7L368 R369 I372 S519 Q525 C526 L527L368-T523 HydrophobicContact CB-CG2 3.41Å; L368-T523 VanDerWaalsContact CB-CG2 3.41Å; L368-T523 HydrophobicContact CD1-CG2 4.06Å; L368-T523 HydrophobicContact CG-CG2 4.39Å; R369-T523 HydrophobicContact CB-CG2 4.46Å; R369-T523 HydrophobicContact CG-CG2 3.53Å; I372-T523 HydrophobicContact CD1-CG2 3.59Å; S519-T523 WeakPolarHBondContact O-CB 3.44Å; S519-T523 PolarHBondContact O-N 3.22Å; S519-T523 PolarHBondContact O-OG1 3.31Å; T523-Q525 VanDerWaalsContact C-N 3.31Å; T523-Q525 PolarHBondContact O-N 2.85Å; T523-C526 WeakPolarHBondContact O-CB 3.33Å; T523-C526 PolarHBondContact O-N 2.79Å; T523-L527 PolarHBondContact O-N 3.39Å
524I96.3Very high96.7Very high0 Ų012.2 Ų12.20%06%0.061CC..Hα-helixtrans-69.2-32.7177.5-156.6174.3000111.4L368 L424 L444 L447 M451 C520 L521 D522 L527 N528L368-I524 HydrophobicContact CD1-CB 3.87Å; L368-I524 HydrophobicContact CD1-CG1 4.42Å; L368-I524 HydrophobicContact CD2-CG1 4.35Å; L424-I524 HydrophobicContact CD2-CD1 4.04Å; L424-I524 HydrophobicContact CD2-CG1 3.42Å; L424-I524 VanDerWaalsContact CD2-CG1 3.42Å; L444-I524 HydrophobicContact CD2-CD1 4.32Å; L444-I524 HydrophobicContact CD2-CG1 4.32Å; L447-I524 HydrophobicContact CB-CD1 3.54Å; L447-I524 HydrophobicContact CD1-CD1 4.37Å; M451-I524 HydrophobicContact SD-CD1 4.13Å; C520-I524 VanDerWaalsContact O-CB 3.31Å; C520-I524 WeakPolarHBondContact O-CB 3.48Å; C520-I524 WeakPolarHBondContact O-CG2 3.34Å; C520-I524 PolarHBondContact O-N 3.06Å; L521-I524 HydrophobicContact CD1-CG2 4.27Å; L521-I524 WeakPolarHBondContact O-CG2 3.44Å; D522-I524 PolarHBondContact O-N 2.93Å; I524-L527 PolarHBondContact O-N 3.46Å; I524-N528 WeakPolarHBondContact O-CB 3.44Å; I524-N528 PolarHBondContact O-N 2.87Å
525Q96.1Very high96.7Very high4 Ų412.6 Ų12.62%0.0196%0.063CC..Hα-helixtrans-67.4-41.9173.2-78-175.577.800111.5L444 L521 D522 T523 L527 N528 D529 A538L444-Q525 HydrophobicContact CD1-CG 4.16Å; L521-Q525 HydrophobicContact CD1-CG 4.33Å; L521-Q525 WeakPolarHBondContact O-CB 3.31Å; L521-Q525 VanDerWaalsContact O-CG 3.29Å; L521-Q525 WeakPolarHBondContact O-CG 3.05Å; L521-Q525 PolarHBondContact O-N 3.43Å; L521-Q525 VanDerWaalsContact O-N 3.15Å; L521-Q525 PolarHBondContact O-NE2 3.3Å; D522-Q525 PolarHBondContact O-N 3.4Å; T523-Q525 VanDerWaalsContact C-N 3.31Å; T523-Q525 PolarHBondContact O-N 2.85Å; Q525-L527 VanDerWaalsContact C-N 3.31Å; Q525-L527 PolarHBondContact O-N 3.49Å; Q525-N528 WeakPolarHBondContact O-CB 3.4Å; Q525-N528 PolarHBondContact O-N 3.23Å; Q525-N528 VanDerWaalsContact O-N 3.15Å; Q525-D529 PolarHBondContact O-N 2.76Å; Q525-A538 HydrophobicContact CG-CB 4.47Å; Q525-A538 PolarHBondContact OE1-O 3.22Å
526C95.9Very high96.6Very high2 Ų218.3 Ų18.31%0.0148%0.084CC..Hα-helixtrans-55.2-47.9171.1-670000111.4R334 L335 I372 D522 T523 N528 D529 L530R334-C526 VanDerWaalsContact CG-SG 3.58Å; L335-C526 HydrophobicContact CD2-CB 3.9Å; L335-C526 WeakPolarHBondContact CD2-O 3.45Å; I372-C526 HydrophobicContact CD1-CB 3.79Å; D522-C526 PolarHBondContact O-N 3.15Å; D522-C526 PolarHBondContact O-SG 2.94Å; D522-C526 VanDerWaalsContact O-SG 3.35Å; T523-C526 WeakPolarHBondContact O-CB 3.33Å; T523-C526 PolarHBondContact O-N 2.79Å; C526-N528 VanDerWaalsContact C-N 3.35Å; C526-N528 PolarHBondContact O-N 3.06Å; C526-D529 PolarHBondContact O-N 2.92Å; C526-L530 WeakPolarHBondContact O-CB 3.36Å; C526-L530 PolarHBondContact O-N 3.4Å
527L96.4Very high96.4Very high0 Ų020.3 Ų20.30%09%0.094CC..Hα-helixtrans-65.4-38.1177.8-177.255.6000112L368 I371 I372 I375 L424 T523 I524 Q525 L530 L531L368-L527 HydrophobicContact CD2-CD2 3.72Å; I371-L527 HydrophobicContact CB-CD2 4.2Å; I371-L527 HydrophobicContact CD1-CD2 4.21Å; I371-L527 HydrophobicContact CG2-CD1 3.81Å; I371-L527 HydrophobicContact CG2-CD2 3.81Å; I372-L527 HydrophobicContact CD1-CB 4.09Å; I372-L527 HydrophobicContact CG1-CB 3.89Å; I372-L527 HydrophobicContact CG1-CD1 4.03Å; I372-L527 HydrophobicContact CG1-CG 4.44Å; I375-L527 HydrophobicContact CD1-CD1 3.65Å; L424-L527 HydrophobicContact CD2-CB 4.11Å; L424-L527 HydrophobicContact CD2-CD2 3.53Å; L424-L527 HydrophobicContact CD2-CG 3.75Å; L424-L527 HydrophobicContact CG-CD2 4.18Å; L424-L527 HydrophobicContact CG-CG 4.24Å; T523-L527 PolarHBondContact O-N 3.39Å; I524-L527 PolarHBondContact O-N 3.46Å; Q525-L527 VanDerWaalsContact C-N 3.31Å; Q525-L527 PolarHBondContact O-N 3.49Å; L527-L530 PolarHBondContact O-N 2.71Å; L527-L531 HydrophobicContact CD1-CD1 3.85Å; L527-L531 HydrophobicContact CD1-CG 3.97Å; L527-L531 HydrophobicContact CG-CD1 3.84Å; L527-L531 HydrophobicContact CG-CG 4.38Å; L527-L531 WeakPolarHBondContact O-CB 3.37Å; L527-L531 WeakPolarHBondContact O-CG 3.43Å; L527-L531 PolarHBondContact O-N 2.88Å
528N96.7Very high96.4Very high0 Ų020.5 Ų20.50%010%0.095CC..Hα-helixtrans-60.7-45.1175.2-172.565.7000111.6L424 L444 I524 Q525 C526 L531 I532 Q533 P534 F535L424-N528 HydrophobicContact CD1-CB 4.38Å; L444-N528 HydrophobicContact CD1-CB 4.15Å; L444-N528 HydrophobicContact CD2-CB 4.34Å; I524-N528 WeakPolarHBondContact O-CB 3.44Å; I524-N528 PolarHBondContact O-N 2.87Å; Q525-N528 WeakPolarHBondContact O-CB 3.4Å; Q525-N528 PolarHBondContact O-N 3.23Å; Q525-N528 VanDerWaalsContact O-N 3.15Å; C526-N528 VanDerWaalsContact C-N 3.35Å; C526-N528 PolarHBondContact O-N 3.06Å; N528-L531 CarbonylContact O-C 3.47Å; N528-L531 PolarHBondContact O-N 3.01Å; N528-I532 PolarHBondContact O-N 3.46Å; N528-Q533 VanDerWaalsContact O-CA 3.27Å; N528-Q533 WeakPolarHBondContact O-CA 3.45Å; N528-Q533 PolarHBondContact O-N 2.85Å; N528-P534 WeakPolarHBondContact O-CD 3.24Å; N528-P534 WeakPolarHBondContact OD1-CD 3.48Å; N528-F535 PolarHBondContact ND2-O 3.07Å; N528-F535 WeakPolarHBondContact OD1-CB 3.46Å; N528-F535 PolarHBondContact OD1-N 3.05Å; N528-F535 PolarHBondContact OD1-O 3.2Å
529D95.6Very high96.3Very high9 Ų922 Ų225%0.04810%0.103CC..Hα-helixtrans-64.3-44177-72-24000111.6L332 R334 L335 Q525 C526 L531 I532 Q533L332-D529 HydrophobicContact CD2-CB 4Å; R334-D529 WeakPolarHBondContact CD-OD2 3.25Å; R334-D529 IonicContact NE-OD2 2.81Å; R334-D529 PolarHBondContact NE-OD2 3.31Å; R334-D529 VanDerWaalsContact NE-OD2 3.16Å; L335-D529 HydrophobicContact CD1-CB 4.07Å; L335-D529 HydrophobicContact CG-CB 4.41Å; Q525-D529 PolarHBondContact O-N 2.76Å; C526-D529 PolarHBondContact O-N 2.92Å; D529-L531 PolarHBondContact O-N 3.09Å; D529-I532 PolarHBondContact O-N 3.06Å; D529-Q533 WeakPolarHBondContact OD1-CG 3.35Å; D529-Q533 PolarHBondContact OD1-NE2 2.78Å
530L95.4Very high96.2Very high11 Ų1122.3 Ų22.36%0.05811%0.105CC..Hα-helixtrans-61.9-32.5176.6-172.657.3000112.5L335 I372 I375 M376 M409 C526 L527 I532L335-L530 HydrophobicContact CD1-CB 4.36Å; I372-L530 HydrophobicContact CG2-CD2 4.13Å; I375-L530 HydrophobicContact CB-CD2 3.74Å; I375-L530 HydrophobicContact CD1-CD2 3.93Å; I375-L530 HydrophobicContact CD1-CG 4.45Å; I375-L530 HydrophobicContact CG1-CD2 4.45Å; I375-L530 HydrophobicContact CG2-CD1 4.18Å; I375-L530 HydrophobicContact CG2-CD2 3.54Å; I375-L530 HydrophobicContact CG2-CG 3.84Å; M376-L530 HydrophobicContact CE-CD1 3.6Å; M376-L530 HydrophobicContact CE-CD2 4.05Å; M376-L530 HydrophobicContact CE-CG 4.43Å; M376-L530 HydrophobicContact CG-CD2 4.36Å; M376-L530 HydrophobicContact SD-CD1 4.34Å; M409-L530 HydrophobicContact CG-CD1 4.1Å; M409-L530 HydrophobicContact SD-CD1 4.3Å; C526-L530 WeakPolarHBondContact O-CB 3.36Å; C526-L530 PolarHBondContact O-N 3.4Å; L527-L530 PolarHBondContact O-N 2.71Å; L530-I532 PolarHBondContact O-N 3.37Å
531L96.3Very high96.2Very high0 Ų022.5 Ų22.50%011%0.106CC..THydrogen-bonded Turntrans-84.314.6175-65.9173.2000113.1I375 I412 R420 I423 L424 L527 N528 D529 Q533 P534I375-L531 HydrophobicContact CD1-CD2 4.23Å; I412-L531 HydrophobicContact CD1-CD2 3.83Å; I412-L531 HydrophobicContact CG1-CD2 4.05Å; I412-L531 HydrophobicContact CG2-CD2 4.35Å; R420-L531 VanDerWaalsContact CD-O 3.29Å; R420-L531 WeakPolarHBondContact CD-O 3.16Å; R420-L531 PolarHBondContact NH1-O 3.19Å; I423-L531 HydrophobicContact CB-CD1 4.05Å; I423-L531 HydrophobicContact CD1-CD2 3.8Å; I423-L531 HydrophobicContact CG2-CD1 3.91Å; I423-L531 HydrophobicContact CG2-CD2 4.3Å; L424-L531 HydrophobicContact CD1-CD1 3.94Å; L424-L531 HydrophobicContact CG-CD1 3.83Å; L527-L531 HydrophobicContact CD1-CD1 3.85Å; L527-L531 HydrophobicContact CD1-CG 3.97Å; L527-L531 HydrophobicContact CG-CD1 3.84Å; L527-L531 HydrophobicContact CG-CG 4.38Å; L527-L531 WeakPolarHBondContact O-CB 3.37Å; L527-L531 WeakPolarHBondContact O-CG 3.43Å; L527-L531 PolarHBondContact O-N 2.88Å; N528-L531 CarbonylContact O-C 3.47Å; N528-L531 PolarHBondContact O-N 3.01Å; D529-L531 PolarHBondContact O-N 3.09Å; L531-Q533 VanDerWaalsContact C-N 3.34Å; L531-Q533 PolarHBondContact O-N 2.88Å; L531-P534 HydrophobicContact CB-CG 3.97Å; L531-P534 WeakPolarHBondContact O-CD 3.48Å
532I95.5Very high96.2Very high95 Ų9524.4 Ų24.449%0.48712%0.119SC..THydrogen-bonded Turntrans5946.5-179.6-42.1169.4000110.9I412 A413 R420 N528 D529 L530I412-I532 HydrophobicContact CG2-CD1 3.86Å; I412-I532 HydrophobicContact CG2-CG1 3.92Å; A413-I532 HydrophobicContact CB-CD1 4.15Å; R420-I532 PolarHBondContact NH1-O 3.23Å; N528-I532 PolarHBondContact O-N 3.46Å; D529-I532 PolarHBondContact O-N 3.06Å; L530-I532 PolarHBondContact O-N 3.37Å
533Q96Very high96.2Very high96 Ų9623 Ų2345%0.44911%0.112SC..  trans48.959.2170.3-59.3-177.3-28.700115.2N528 D529 L531 F535N528-Q533 VanDerWaalsContact O-CA 3.27Å; N528-Q533 WeakPolarHBondContact O-CA 3.45Å; N528-Q533 PolarHBondContact O-N 2.85Å; D529-Q533 WeakPolarHBondContact OD1-CG 3.35Å; D529-Q533 PolarHBondContact OD1-NE2 2.78Å; L531-Q533 VanDerWaalsContact C-N 3.34Å; L531-Q533 PolarHBondContact O-N 2.88Å; Q533-F535 CarbonylContact C-O 3.59Å; Q533-F535 PolarHBondContact O-N 3.19Å
534P96.5Very high96.3Very high0 Ų022.9 Ų22.90%011%0.111CC..SBendtrans-66.5-21.8176.629.7-36.4000112.9K417 R420 R421 L424 N528 L531K417-P534 WeakPolarHBondContact CE-O 3.38Å; K417-P534 HydrophobicContact CG-CB 4.43Å; R420-P534 HydrophobicContact CB-CB 3.8Å; R420-P534 HydrophobicContact CB-CG 4.06Å; R421-P534 HydrophobicContact CG-CB 3.79Å; R421-P534 PolarHBondContact NE-O 3.01Å; R421-P534 PolarHBondContact NH2-O 3.09Å; L424-P534 HydrophobicContact CD1-CG 3.99Å; N528-P534 WeakPolarHBondContact O-CD 3.24Å; N528-P534 WeakPolarHBondContact OD1-CD 3.48Å; L531-P534 HydrophobicContact CB-CG 3.97Å; L531-P534 WeakPolarHBondContact O-CD 3.48Å
535F96.3Very high96.3Very high7 Ų723.1 Ų23.13%0.03111%0.112CC..SBendtrans-112154.8166.9-62.2-86000111R421 L424 T425 L435 H443 L444 L447 N528 Q533 E537R421-F535 HydrophobicContact CB-CE2 3.88Å; R421-F535 HydrophobicContact CB-CZ 3.74Å; R421-F535 HydrophobicContact CG-CD2 4.26Å; R421-F535 HydrophobicContact CG-CE1 4.1Å; R421-F535 HydrophobicContact CG-CE2 3.68Å; R421-F535 HydrophobicContact CG-CZ 3.59Å; L424-F535 HydrophobicContact CB-CE2 3.96Å; L424-F535 HydrophobicContact CD1-CD2 3.57Å; L424-F535 HydrophobicContact CD1-CE2 3.69Å; L424-F535 HydrophobicContact CG-CE2 4.48Å; T425-F535 HydrophobicContact CG2-CZ 4.07Å; L435-F535 HydrophobicContact CD1-CE1 3.69Å; L435-F535 HydrophobicContact CD1-CZ 4.3Å; H443-F535 HydrophobicContact CB-CD1 3.89Å; H443-F535 HydrophobicContact CB-CE1 4.43Å; H443-F535 AromaticContact ND1-CD1 3.92Å; L444-F535 HydrophobicContact CD1-CB 4.37Å; L444-F535 HydrophobicContact CD2-CB 3.8Å; L444-F535 HydrophobicContact CD2-CD2 4.12Å; L444-F535 HydrophobicContact CD2-CG 4.1Å; L444-F535 HydrophobicContact CG-CB 3.85Å; L447-F535 HydrophobicContact CD1-CD2 4.49Å; L447-F535 HydrophobicContact CD1-CE1 4.22Å; L447-F535 HydrophobicContact CD1-CE2 4.1Å; L447-F535 HydrophobicContact CD1-CZ 3.95Å; N528-F535 PolarHBondContact ND2-O 3.07Å; N528-F535 WeakPolarHBondContact OD1-CB 3.46Å; N528-F535 PolarHBondContact OD1-N 3.05Å; N528-F535 PolarHBondContact OD1-O 3.2Å; Q533-F535 CarbonylContact C-O 3.59Å; Q533-F535 PolarHBondContact O-N 3.19Å; F535-E537 PolarHBondContact O-N 3.19Å
536R96Very high96.3Very high122 Ų12222.9 Ų22.946%0.4611%0.111SC..PPolyproline II helixtrans-62.7132.1171.1-178.8172.7177.2161.41.9109.4E440 L444E440-R536 WeakPolarHBondContact OE1-CD 3.41Å; E440-R536 IonicContact OE1-CZ 3.98Å; E440-R536 IonicContact OE1-NE 2.69Å; E440-R536 IonicContact OE1-NH1 3.71Å; E440-R536 PolarHBondContact OE1-NH1 3.21Å; L444-R536 VanDerWaalsContact CD1-O 3.31Å; L444-R536 WeakPolarHBondContact CD1-O 3.33Å
537E94.8Very high96.3Very high44 Ų4424.8 Ų24.821%0.20612%0.119CC..PPolyproline II helixtrans-60.5138.6177.7-167.6-172.1169.200111.4R124 R334 F535R124-E537 IonicContact NH1-OE1 3.48Å; R124-E537 PolarHBondContact NH1-OE1 3.34Å; R124-E537 IonicContact NH1-OE2 3.63Å; R124-E537 PolarHBondContact NH1-OE2 2.95Å; R334-E537 IonicContact NH2-OE1 3.11Å; R334-E537 PolarHBondContact NH2-OE1 3.18Å; F535-E537 PolarHBondContact O-N 3.19Å
538A96Very high96.2Very high3 Ų324.8 Ų24.83%0.02512%0.119CC..PPolyproline II helixtrans-77.2123.6-178.400000111.1L444 L521 Q525 V540 L543L444-A538 HydrophobicContact CB-CB 4.14Å; L521-A538 HydrophobicContact CD1-CB 3.94Å; Q525-A538 HydrophobicContact CG-CB 4.47Å; Q525-A538 PolarHBondContact OE1-O 3.22Å; A538-V540 PolarHBondContact O-N 3.05Å; A538-L543 HydrophobicContact CB-CD1 3.75Å
539D96.2Very high96.3Very high32 Ų3224.8 Ų24.817%0.17112%0.119CC..  trans-87.793.7171.7-165.4-30.3000110.1R124 T541 C542 L543R124-D539 IonicContact NE-OD2 3.64Å; R124-D539 IonicContact NH2-OD2 3.88Å; D539-T541 PolarHBondContact O-N 3.4Å; D539-T541 VanDerWaalsContact OD1-CB 3.31Å; D539-T541 WeakPolarHBondContact OD1-CB 3.31Å; D539-T541 WeakPolarHBondContact OD1-CG2 3.35Å; D539-T541 PolarHBondContact OD1-N 2.79Å; D539-T541 PolarHBondContact OD1-OG1 3.11Å; D539-C542 PolarHBondContact O-N 3.05Å; D539-L543 VanDerWaalsContact O-CG 3.31Å; D539-L543 WeakPolarHBondContact O-CG 3.44Å; D539-L543 PolarHBondContact O-N 3.16Å
540V97Very high96.3Very high7 Ų724.3 Ų24.34%0.04212%0.117CC..G310 helixtrans-58.7-23.4-178.272.60000112.9Y52 L117 V121 L521 A538 C542 L543 F544Y52-V540 HydrophobicContact CD1-CG1 4.33Å; Y52-V540 HydrophobicContact CD2-CB 4.3Å; Y52-V540 HydrophobicContact CD2-CG1 3.93Å; Y52-V540 HydrophobicContact CD2-CG2 3.44Å; Y52-V540 VanDerWaalsContact CD2-CG2 3.44Å; Y52-V540 HydrophobicContact CE2-CG1 4.48Å; Y52-V540 HydrophobicContact CE2-CG2 3.66Å; Y52-V540 HydrophobicContact CG-CG1 3.83Å; Y52-V540 HydrophobicContact CG-CG2 4.22Å; L117-V540 HydrophobicContact CB-CG1 4.21Å; L117-V540 HydrophobicContact CD1-CB 4.22Å; L117-V540 HydrophobicContact CD1-CG2 3.6Å; V121-V540 HydrophobicContact CG2-CG1 3.26Å; L521-V540 HydrophobicContact CD2-CG2 4.3Å; A538-V540 PolarHBondContact O-N 3.05Å; V540-C542 PolarHBondContact O-N 3.34Å; V540-L543 PolarHBondContact O-N 3.43Å; V540-F544 HydrophobicContact CG2-CB 4.02Å; V540-F544 PolarHBondContact O-N 3.3Å
541T96.9Very high96.3Very high4 Ų424.7 Ų24.73%0.02512%0.119CC..G310 helixtrans-67.1-20.8176.875.40000113K56 V121 D539K56-T541 HydrophobicContact CB-CG2 4.07Å; K56-T541 HydrophobicContact CD-CG2 3.85Å; V121-T541 HydrophobicContact CG1-CG2 3.77Å; V121-T541 HydrophobicContact CG2-CG2 3.91Å; D539-T541 PolarHBondContact O-N 3.4Å; D539-T541 VanDerWaalsContact OD1-CB 3.31Å; D539-T541 WeakPolarHBondContact OD1-CB 3.31Å; D539-T541 WeakPolarHBondContact OD1-CG2 3.35Å; D539-T541 PolarHBondContact OD1-N 2.79Å; D539-T541 PolarHBondContact OD1-OG1 3.11Å
542C96.5Very high96.3Very high39 Ų3924.7 Ų24.726%0.26412%0.119SC..G310 helixtrans-104.20.4173.7-56.80000112.8L477 N478 D539 V540L477-C542 VanDerWaalsContact CB-O 3.26Å; L477-C542 WeakPolarHBondContact CB-O 3.26Å; N478-C542 PolarHBondContact ND2-O 3.01Å; D539-C542 PolarHBondContact O-N 3.05Å; V540-C542 PolarHBondContact O-N 3.34Å
543L97.4Very high96.3Very high4 Ų420.4 Ų20.42%0.02110%0.097CC..THydrogen-bonded Turntrans-115.3-27.5-175.2-62.1169.3000113L442 F445 A474 A538 D539 V540L442-L543 HydrophobicContact CD2-CD2 3.38Å; F445-L543 HydrophobicContact CB-CD1 4.08Å; F445-L543 HydrophobicContact CB-CD2 4.07Å; F445-L543 HydrophobicContact CD2-CB 4.07Å; F445-L543 HydrophobicContact CD2-CD1 4.16Å; F445-L543 HydrophobicContact CD2-CD2 4.03Å; F445-L543 HydrophobicContact CD2-CG 4.31Å; F445-L543 HydrophobicContact CE2-CB 4.38Å; F445-L543 HydrophobicContact CG-CD1 4.47Å; F445-L543 HydrophobicContact CG-CD2 4.02Å; A474-L543 HydrophobicContact CB-CD2 4.12Å; A538-L543 HydrophobicContact CB-CD1 3.75Å; D539-L543 VanDerWaalsContact O-CG 3.31Å; D539-L543 WeakPolarHBondContact O-CG 3.44Å; D539-L543 PolarHBondContact O-N 3.16Å; V540-L543 PolarHBondContact O-N 3.43Å
544F97.8Very high96.3Very high1 Ų117.7 Ų17.70%0.0048%0.084CC..  trans-143.9131.5-172.5-175.3-101.9000113.6C49 G50 Y52 L470 A514 W517 V540 A549C49-F544 HydrophobicContact CB-CE1 4.45Å; C49-F544 HydrophobicContact CB-CZ 4.33Å; G50-F544 WeakPolarHBondContact O-CE1 3.39Å; Y52-F544 HydrophobicContact CD2-CB 4.42Å; Y52-F544 AromaticContact CD2-CD1 3.81Å; Y52-F544 HydrophobicContact CD2-CD1 3.81Å; Y52-F544 AromaticContact CE2-CD1 3.58Å; Y52-F544 HydrophobicContact CE2-CD1 3.58Å; Y52-F544 HydrophobicContact CE2-CE1 4.22Å; L470-F544 HydrophobicContact CD2-CD2 3.53Å; L470-F544 HydrophobicContact CD2-CE2 3.45Å; L470-F544 VanDerWaalsContact CD2-CE2 3.45Å; A514-F544 HydrophobicContact CB-CE2 4.44Å; A514-F544 HydrophobicContact CB-CZ 4.39Å; W517-F544 HydrophobicContact CE3-CD2 4.49Å; W517-F544 HydrophobicContact CH2-CB 4.06Å; W517-F544 HydrophobicContact CH2-CD2 4.35Å; W517-F544 HydrophobicContact CH2-CG 4.38Å; W517-F544 HydrophobicContact CZ3-CB 4.08Å; W517-F544 AromaticContact CZ3-CD2 3.65Å; W517-F544 HydrophobicContact CZ3-CD2 3.65Å; W517-F544 HydrophobicContact CZ3-CE2 4.25Å; W517-F544 AromaticContact CZ3-CG 3.9Å; W517-F544 HydrophobicContact CZ3-CG 3.9Å; V540-F544 HydrophobicContact CG2-CB 4.02Å; V540-F544 PolarHBondContact O-N 3.3Å; F544-A549 HydrophobicContact CD2-CB 4.35Å; F544-A549 HydrophobicContact CE2-CB 3.92Å
545S96.5Very high96.1Very high5 Ų519.8 Ų19.84%0.03510%0.098CC..  trans-133.5121.6161.4161.50000107.2E51 K547 L548 A549E51-S545 PolarHBondContact OE1-OG 2.87Å; E51-S545 PolarHBondContact OE2-OG 3Å; S545-K547 PolarHBondContact O-N 2.81Å; S545-L548 PolarHBondContact O-N 3.02Å; S545-A549 WeakPolarHBondContact O-CB 3.31Å; S545-A549 PolarHBondContact O-N 3.44Å
546G96.7Very high95.9Very high0 Ų019.5 Ų19.50%010%0.097CC..Hα-helixtrans-55-48.3-175.800000114.4F48 G50 E51 F550F48-G546 WeakPolarHBondContact O-CA 3.49Å; G50-G546 PolarHBondContact O-N 2.91Å; E51-G546 PolarHBondContact OE1-N 3.15Å; G546-F550 VanDerWaalsContact O-CB 3.31Å; G546-F550 WeakPolarHBondContact O-CB 3.46Å; G546-F550 PolarHBondContact O-N 2.79Å
547K95.5Very high95.8Very high41 Ų4116.6 Ų16.618%0.1789%0.09CC..Hα-helixtrans-63.9-46.6178.3-69.7175.9-69.4155.10111.5E45 F48 E51 Y493 K495 S545 F550 N551E45-K547 HydrophobicContact CG-CD 4.49Å; F48-K547 HydrophobicContact CB-CG 4.39Å; F48-K547 HydrophobicContact CD2-CG 3.84Å; F48-K547 HydrophobicContact CE2-CG 4.42Å; F48-K547 HydrophobicContact CG-CG 4.12Å; E51-K547 WeakPolarHBondContact OE1-CB 3.21Å; E51-K547 WeakPolarHBondContact OE1-CE 3.44Å; E51-K547 VanDerWaalsContact OE1-CG 3.28Å; E51-K547 WeakPolarHBondContact OE1-CG 3.47Å; E51-K547 PolarHBondContact OE1-N 3.43Å; Y493-K547 PolarHBondContact O-NZ 3.25Å; K495-K547 HydrophobicContact CB-CD 4.25Å; S545-K547 PolarHBondContact O-N 2.81Å; K547-F550 PolarHBondContact O-N 2.85Å; K547-N551 WeakPolarHBondContact O-CB 3.47Å; K547-N551 PolarHBondContact O-N 3.41Å; K547-N551 PolarHBondContact O-ND2 3.25Å
548L95.7Very high95.5Very high0 Ų019 Ų190%011%0.111CC..Hα-helixtrans-58.9-52.7179.1174.558.6000110.5A473 H476 L477 L492 Y493 S545 F550 N551 L552A473-L548 HydrophobicContact CB-CD2 4.04Å; A473-L548 HydrophobicContact CB-CG 4.04Å; H476-L548 HydrophobicContact CB-CD2 4.3Å; L477-L548 HydrophobicContact CD2-CD2 4.29Å; L477-L548 HydrophobicContact CG-CD2 4.02Å; L492-L548 HydrophobicContact CB-CD1 3.72Å; L492-L548 HydrophobicContact CD1-CD1 4.19Å; L492-L548 WeakPolarHBondContact O-CA 2.83Å; Y493-L548 HydrophobicContact CE1-CD2 4.23Å; S545-L548 PolarHBondContact O-N 3.02Å; L548-F550 VanDerWaalsContact C-N 3.34Å; L548-F550 PolarHBondContact O-N 3.49Å; L548-N551 PolarHBondContact O-N 2.71Å; L548-L552 HydrophobicContact CD1-CD1 3.83Å; L548-L552 HydrophobicContact CD1-CG 4.24Å; L548-L552 HydrophobicContact CG-CD1 3.96Å; L548-L552 WeakPolarHBondContact O-CG 3.16Å; L548-L552 PolarHBondContact O-N 2.85Å
549A97.2Very high95.2Very high0 Ų020.5 Ų20.50%012%0.121CC..Hα-helixtrans-63.1-38.4179.800000112A469 L470 A473 F510 F544 S545 L552 Y553A469-A549 WeakPolarHBondContact CB-O 3.26Å; L470-A549 HydrophobicContact CD2-CB 4.29Å; A473-A549 HydrophobicContact CB-CB 4Å; F510-A549 HydrophobicContact CE2-CB 4.05Å; F510-A549 HydrophobicContact CZ-CB 3.64Å; F544-A549 HydrophobicContact CD2-CB 4.35Å; F544-A549 HydrophobicContact CE2-CB 3.92Å; S545-A549 WeakPolarHBondContact O-CB 3.31Å; S545-A549 PolarHBondContact O-N 3.44Å; A549-L552 PolarHBondContact O-N 3.31Å; A549-Y553 WeakPolarHBondContact O-CB 3.49Å; A549-Y553 PolarHBondContact O-N 3.31Å
550F96.8Very high94.9Very high0 Ų028.4 Ų28.40%015%0.149CC..Hα-helixtrans-66.6-42.8176.5-178.1-109.5000112.7F48 P496 Y507 F510 G546 K547 L548 L552 Y553 Q554F48-F550 HydrophobicContact CD1-CB 3.98Å; F48-F550 HydrophobicContact CD1-CD1 4.12Å; F48-F550 HydrophobicContact CD1-CG 4.05Å; F48-F550 HydrophobicContact CE1-CB 4.42Å; F48-F550 AromaticContact CE1-CD1 3.69Å; F48-F550 HydrophobicContact CE1-CD1 3.69Å; F48-F550 HydrophobicContact CE1-CE1 4.05Å; F48-F550 HydrophobicContact CE1-CG 4.06Å; P496-F550 HydrophobicContact CB-CD1 3.9Å; P496-F550 HydrophobicContact CB-CE1 3.84Å; P496-F550 HydrophobicContact CG-CD1 3.44Å; P496-F550 VanDerWaalsContact CG-CD1 3.44Å; P496-F550 HydrophobicContact CG-CE1 3.92Å; Y507-F550 VanDerWaalsContact CA-CE2 3.46Å; Y507-F550 HydrophobicContact CD2-CE2 4.48Å; Y507-F550 HydrophobicContact CD2-CZ 4.43Å; F510-F550 HydrophobicContact CB-CD2 3.69Å; F510-F550 HydrophobicContact CB-CE2 3.98Å; F510-F550 HydrophobicContact CD1-CB 3.89Å; F510-F550 AromaticContact CD1-CD2 3.49Å; F510-F550 HydrophobicContact CD1-CD2 3.49Å; F510-F550 VanDerWaalsContact CD1-CD2 3.49Å; F510-F550 HydrophobicContact CD1-CE2 4.46Å; F510-F550 HydrophobicContact CD1-CG 4.1Å; F510-F550 HydrophobicContact CD2-CD2 4.21Å; F510-F550 HydrophobicContact CE1-CB 3.67Å; F510-F550 HydrophobicContact CE1-CD2 4.18Å; F510-F550 HydrophobicContact CE1-CG 4.38Å; F510-F550 HydrophobicContact CE2-CB 4.5Å; F510-F550 HydrophobicContact CG-CB 4.42Å; F510-F550 AromaticContact CG-CD2 3.52Å; F510-F550 HydrophobicContact CG-CD2 3.52Å; F510-F550 HydrophobicContact CG-CE2 4.32Å; F510-F550 HydrophobicContact CG-CG 4.44Å; F510-F550 HydrophobicContact CZ-CB 4.01Å; G546-F550 VanDerWaalsContact O-CB 3.31Å; G546-F550 WeakPolarHBondContact O-CB 3.46Å; G546-F550 PolarHBondContact O-N 2.79Å; K547-F550 PolarHBondContact O-N 2.85Å; L548-F550 VanDerWaalsContact C-N 3.34Å; L548-F550 PolarHBondContact O-N 3.49Å; F550-L552 VanDerWaalsContact C-N 3.35Å; F550-L552 PolarHBondContact O-N 2.99Å; F550-Y553 HydrophobicContact CD2-CD1 4.16Å; F550-Y553 HydrophobicContact CE2-CD1 4.22Å; F550-Y553 WeakPolarHBondContact O-CB 3.27Å; F550-Y553 PolarHBondContact O-N 3.29Å; F550-Q554 HydrophobicContact CD1-CG 4.4Å; F550-Q554 HydrophobicContact CE1-CG 4.07Å; F550-Q554 VanDerWaalsContact CE1-NE2 3.28Å; F550-Q554 HydrophobicContact CE2-CG 4.33Å; F550-Q554 HydrophobicContact CZ-CG 4.05Å; F550-Q554 WeakPolarHBondContact O-CG 3.48Å; F550-Q554 PolarHBondContact O-N 3.17Å
551N95.4Very high94.7Very high18 Ų1833.7 Ų33.710%0.09617%0.168CC..Hα-helixtrans-64.8-39.8177.2-75-36.2000111.5L492 K494 P496 K547 L548 Q554 C555L492-N551 HydrophobicContact CD2-CB 3.8Å; L492-N551 PolarHBondContact O-ND2 3.4Å; K494-N551 PolarHBondContact O-ND2 3.44Å; P496-N551 WeakPolarHBondContact CG-OD1 3.24Å; K547-N551 WeakPolarHBondContact O-CB 3.47Å; K547-N551 PolarHBondContact O-N 3.41Å; K547-N551 PolarHBondContact O-ND2 3.25Å; L548-N551 PolarHBondContact O-N 2.71Å; N551-Q554 PolarHBondContact O-N 3.19Å; N551-C555 PolarHBondContact O-N 2.71Å; N551-C555 PolarHBondContact O-SG 3.44Å; N551-C555 VanDerWaalsContact O-SG 3.35Å
552L95.4Very high94.4Very high0 Ų033.9 Ų33.90%017%0.169CC..Hα-helixtrans-64.1-39.1172.9-71.1168000112.2A469 A472 A473 L492 L548 A549 F550 Q554 C555 A556 V566 A569A469-L552 HydrophobicContact CB-CB 4.11Å; A472-L552 HydrophobicContact CB-CD1 3.93Å; A473-L552 HydrophobicContact CB-CD1 4.08Å; L492-L552 HydrophobicContact CD1-CD2 4.02Å; L492-L552 HydrophobicContact CD2-CD2 4.42Å; L548-L552 HydrophobicContact CD1-CD1 3.83Å; L548-L552 HydrophobicContact CD1-CG 4.24Å; L548-L552 HydrophobicContact CG-CD1 3.96Å; L548-L552 WeakPolarHBondContact O-CG 3.16Å; L548-L552 PolarHBondContact O-N 2.85Å; A549-L552 PolarHBondContact O-N 3.31Å; F550-L552 VanDerWaalsContact C-N 3.35Å; F550-L552 PolarHBondContact O-N 2.99Å; L552-Q554 VanDerWaalsContact C-N 3.35Å; L552-Q554 PolarHBondContact O-N 3.32Å; L552-C555 WeakPolarHBondContact O-CB 3.2Å; L552-C555 PolarHBondContact O-N 2.89Å; L552-A556 PolarHBondContact O-N 3.28Å; L552-V566 HydrophobicContact CD2-CG1 4.37Å; L552-A569 HydrophobicContact CD2-CB 4.26Å
553Y96.5Very high94.1Very high6 Ų632.6 Ų32.62%0.02416%0.16CC..Hα-helixtrans-61.3-42173.4170.6-110000111.9N465 V466 R506 F510 A549 F550 A556 L557N465-Y553 HydrophobicContact CB-CD2 3.95Å; N465-Y553 HydrophobicContact CB-CE2 3.72Å; V466-Y553 HydrophobicContact CG2-CD2 3.71Å; V466-Y553 HydrophobicContact CG2-CE2 3.56Å; V466-Y553 HydrophobicContact CG2-CG 4.5Å; R506-Y553 HydrophobicContact CB-CE1 4.35Å; F510-Y553 HydrophobicContact CB-CD1 3.82Å; F510-Y553 HydrophobicContact CB-CE1 3.84Å; F510-Y553 AromaticContact CD2-CD1 3.9Å; F510-Y553 HydrophobicContact CD2-CD1 3.9Å; F510-Y553 HydrophobicContact CD2-CD2 4.43Å; F510-Y553 AromaticContact CD2-CG 3.79Å; F510-Y553 HydrophobicContact CD2-CG 3.79Å; F510-Y553 HydrophobicContact CG-CD1 4.18Å; A549-Y553 WeakPolarHBondContact O-CB 3.49Å; A549-Y553 PolarHBondContact O-N 3.31Å; F550-Y553 HydrophobicContact CD2-CD1 4.16Å; F550-Y553 HydrophobicContact CE2-CD1 4.22Å; F550-Y553 WeakPolarHBondContact O-CB 3.27Å; F550-Y553 PolarHBondContact O-N 3.29Å; Y553-A556 PolarHBondContact O-N 3.07Å; Y553-L557 HydrophobicContact CD1-CD1 4.1Å; Y553-L557 HydrophobicContact CD2-CG 4.39Å; Y553-L557 HydrophobicContact CE1-CD1 3.48Å; Y553-L557 VanDerWaalsContact CE1-CD1 3.48Å; Y553-L557 HydrophobicContact CE1-CG 4.24Å; Y553-L557 HydrophobicContact CE2-CD1 4.07Å; Y553-L557 HydrophobicContact CE2-CD2 4.11Å; Y553-L557 HydrophobicContact CE2-CG 3.99Å; Y553-L557 VanDerWaalsContact CZ-CD1 3.47Å; Y553-L557 WeakPolarHBondContact O-CG 3.34Å; Y553-L557 PolarHBondContact O-N 2.94Å
554Q94.5Very high93.8Very high38 Ų3836 Ų3618%0.17818%0.176CC..Hα-helixtrans-63.2-41.2174.7-70.2-173.9-35.300112.3F550 N551 L552 L557 C558F550-Q554 HydrophobicContact CD1-CG 4.4Å; F550-Q554 HydrophobicContact CE1-CG 4.07Å; F550-Q554 VanDerWaalsContact CE1-NE2 3.28Å; F550-Q554 HydrophobicContact CE2-CG 4.33Å; F550-Q554 HydrophobicContact CZ-CG 4.05Å; F550-Q554 WeakPolarHBondContact O-CG 3.48Å; F550-Q554 PolarHBondContact O-N 3.17Å; N551-Q554 PolarHBondContact O-N 3.19Å; L552-Q554 VanDerWaalsContact C-N 3.35Å; L552-Q554 PolarHBondContact O-N 3.32Å; Q554-L557 PolarHBondContact O-N 2.95Å; Q554-C558 PolarHBondContact O-N 3.39Å; Q554-C558 VanDerWaalsContact O-N 3.15Å; Q554-C558 PolarHBondContact O-SG 2.87Å
555C92.4Very high93.4Very high45 Ų4538.1 Ų38.130%0.30419%0.189SC..Hα-helixtrans-58.6-46.4173.6-69.20000111.7N551 L552 L557 C558 T565N551-C555 PolarHBondContact O-N 2.71Å; N551-C555 PolarHBondContact O-SG 3.44Å; N551-C555 VanDerWaalsContact O-SG 3.35Å; L552-C555 WeakPolarHBondContact O-CB 3.2Å; L552-C555 PolarHBondContact O-N 2.89Å; C555-L557 PolarHBondContact O-N 3.28Å; C555-C558 PolarHBondContact O-N 3.18Å; C555-T565 HydrophobicContact CB-CG2 4.32Å
556A93Very high93Very high1 Ų137.9 Ų37.91%0.00819%0.187CC..Hα-helixtrans-59.7-44.4177.700000112L468 L552 Y553 C558 S559 P562 V566L468-A556 HydrophobicContact CD2-CB 4.23Å; L552-A556 PolarHBondContact O-N 3.28Å; Y553-A556 PolarHBondContact O-N 3.07Å; A556-C558 VanDerWaalsContact C-N 3.32Å; A556-C558 PolarHBondContact O-N 2.84Å; A556-S559 PolarHBondContact O-N 3.44Å; A556-P562 HydrophobicContact CB-CB 4.07Å; A556-V566 HydrophobicContact CB-CG2 4.21Å
557L92.8Very high92.5Very high60 Ų6039.5 Ų39.531%0.31420%0.196SC..Hα-helixtrans-65.9-29.8179.2-73.3-178.1000114.4N465 R506 Y553 Q554 C555 S559N465-L557 HydrophobicContact CB-CD2 4.47Å; R506-L557 HydrophobicContact CB-CD1 4.48Å; R506-L557 HydrophobicContact CG-CD1 3.89Å; Y553-L557 HydrophobicContact CD1-CD1 4.1Å; Y553-L557 HydrophobicContact CD2-CG 4.39Å; Y553-L557 HydrophobicContact CE1-CD1 3.48Å; Y553-L557 VanDerWaalsContact CE1-CD1 3.48Å; Y553-L557 HydrophobicContact CE1-CG 4.24Å; Y553-L557 HydrophobicContact CE2-CD1 4.07Å; Y553-L557 HydrophobicContact CE2-CD2 4.11Å; Y553-L557 HydrophobicContact CE2-CG 3.99Å; Y553-L557 VanDerWaalsContact CZ-CD1 3.47Å; Y553-L557 WeakPolarHBondContact O-CG 3.34Å; Y553-L557 PolarHBondContact O-N 2.94Å; Q554-L557 PolarHBondContact O-N 2.95Å; C555-L557 PolarHBondContact O-N 3.28Å; L557-S559 VanDerWaalsContact C-N 3.29Å
558C89.3Confident92.1Very high95 Ų9542.1 Ų42.164%0.64221%0.212SC*.THydrogen-bonded Turntrans-86.91.1-176.1-62.40000113.2Q554 C555 A556Q554-C558 PolarHBondContact O-N 3.39Å; Q554-C558 VanDerWaalsContact O-N 3.15Å; Q554-C558 PolarHBondContact O-SG 2.87Å; C555-C558 PolarHBondContact O-N 3.18Å; A556-C558 VanDerWaalsContact C-N 3.32Å; A556-C558 PolarHBondContact O-N 2.84Å
559S90.3Very high91.5Very high34 Ų3443.3 Ų43.324%0.23822%0.222CC..  trans-116.7147.2-172.9-172.90000113.6A556 L557 R561 T565A556-S559 PolarHBondContact O-N 3.44Å; L557-S559 VanDerWaalsContact C-N 3.29Å; S559-R561 VanDerWaalsContact C-N 3.28Å; S559-R561 PolarHBondContact OG-N 3.48Å; S559-R561 PolarHBondContact OG-O 3.25Å; S559-T565 WeakPolarHBondContact CB-OG1 2.86Å; S559-T565 PolarHBondContact OG-OG1 2.93Å
560R89.6Confident90.7Very high198 Ų19843.4 Ų43.475%0.74722%0.222SC*.SBendtrans-78.4-15.6166.9-66.8-174.3179.3173.30112.9L598R560-L598 HydrophobicContact CG-CD1 4.45Å; R560-L598 PolarHBondContact O-N 3.16Å; R560-L598 VanDerWaalsContact O-N 3.17Å
561R91.6Very high89.7Confident118 Ų11853.4 Ų53.445%0.44526%0.26SS..SBendtrans-128.775.8176.2-61.1-174.8-176.8176.2-3.6109.2S559 V563 E564 T565 E597S559-R561 VanDerWaalsContact C-N 3.28Å; S559-R561 PolarHBondContact OG-N 3.48Å; S559-R561 PolarHBondContact OG-O 3.25Å; R561-V563 VanDerWaalsContact C-N 3.34Å; R561-V563 PolarHBondContact O-N 2.84Å; R561-E564 HydrophobicContact CB-CB 3.96Å; R561-E564 WeakPolarHBondContact CD-OE2 3.39Å; R561-E564 IonicContact CZ-OE2 3.74Å; R561-E564 IonicContact NE-OE2 3.71Å; R561-E564 IonicContact NH1-OE1 3.19Å; R561-E564 IonicContact NH1-OE2 3.91Å; R561-E564 PolarHBondContact NH1-OE2 2.78Å; R561-E564 PolarHBondContact O-N 3.32Å; R561-T565 WeakPolarHBondContact O-CB 3.4Å; R561-T565 PolarHBondContact O-N 3.45Å; R561-T565 PolarHBondContact O-OG1 3.02Å; R561-E597 HydrophobicContact CB-CG 4.34Å; R561-E597 HydrophobicContact CG-CB 4.45Å; R561-E597 HydrophobicContact CG-CG 4.28Å
562P91.7Very high88.7Confident9 Ų954.8 Ų54.86%0.05827%0.267CS..Hα-helixtrans-59.1-43.8-171.7-26.637.2000112.7L468 A556 T565 V566 P595L468-P562 HydrophobicContact CD2-CB 3.92Å; A556-P562 HydrophobicContact CB-CB 4.07Å; P562-T565 PolarHBondContact O-N 2.77Å; P562-V566 WeakPolarHBondContact O-CG2 3.34Å; P562-V566 PolarHBondContact O-N 3.47Å; P562-P595 HydrophobicContact CB-CB 4.13Å; P562-P595 HydrophobicContact CB-CG 4.25Å; P562-P595 HydrophobicContact CG-CB 3.97Å
563V90.9Very high87.9Confident12 Ų1255.4 Ų55.47%0.07327%0.27CS..Hα-helixtrans-62-52.9179.7-179.90000110.7L468 R561 T565 V566 L567 L585 F594L468-V563 HydrophobicContact CD1-CG2 4.36Å; L468-V563 HydrophobicContact CD2-CG2 4.12Å; R561-V563 VanDerWaalsContact C-N 3.34Å; R561-V563 PolarHBondContact O-N 2.84Å; V563-T565 VanDerWaalsContact C-N 3.26Å; V563-T565 PolarHBondContact O-N 3.39Å; V563-V566 PolarHBondContact O-N 3.18Å; V563-L567 HydrophobicContact CG1-CD1 4.13Å; V563-L567 HydrophobicContact CG1-CG 4.42Å; V563-L567 WeakPolarHBondContact O-CB 3.35Å; V563-L567 WeakPolarHBondContact O-CG 3.47Å; V563-L567 PolarHBondContact O-N 2.86Å; V563-L585 HydrophobicContact CG1-CD2 3.94Å; V563-F594 HydrophobicContact CG2-CB 4.28Å
564E89.9Confident86.9Confident76 Ų7656.9 Ų56.936%0.35528%0.283SS..Hα-helixtrans-58-38.9177.1-170.8-177.2174.600112R561 L567 N568R561-E564 HydrophobicContact CB-CB 3.96Å; R561-E564 WeakPolarHBondContact CD-OE2 3.39Å; R561-E564 IonicContact CZ-OE2 3.74Å; R561-E564 IonicContact NE-OE2 3.71Å; R561-E564 IonicContact NH1-OE1 3.19Å; R561-E564 IonicContact NH1-OE2 3.91Å; R561-E564 PolarHBondContact NH1-OE2 2.78Å; R561-E564 PolarHBondContact O-N 3.32Å; E564-L567 PolarHBondContact O-N 3.3Å; E564-N568 WeakPolarHBondContact O-CB 3.21Å; E564-N568 VanDerWaalsContact O-CG 3.23Å; E564-N568 PolarHBondContact O-N 3.35Å; E564-N568 PolarHBondContact O-ND2 3.47Å
565T89.5Confident86.7Confident44 Ų4457.4 Ų57.427%0.2729%0.289SS..Hα-helixtrans-67.5-40.6-179.7-57.40000112.1C555 S559 R561 P562 V563 A569C555-T565 HydrophobicContact CB-CG2 4.32Å; S559-T565 WeakPolarHBondContact CB-OG1 2.86Å; S559-T565 PolarHBondContact OG-OG1 2.93Å; R561-T565 WeakPolarHBondContact O-CB 3.4Å; R561-T565 PolarHBondContact O-N 3.45Å; R561-T565 PolarHBondContact O-OG1 3.02Å; P562-T565 PolarHBondContact O-N 2.77Å; V563-T565 VanDerWaalsContact C-N 3.26Å; V563-T565 PolarHBondContact O-N 3.39Å; T565-A569 PolarHBondContact O-N 2.95Å
566V88Confident86.6Confident0 Ų055.2 Ų55.20%028%0.275CS..Hα-helixtrans-70.5-41.4176.1168.80000110.7L468 A472 L552 A556 P562 V563 N568 A569 L570L468-V566 HydrophobicContact CD1-CB 4.44Å; L468-V566 HydrophobicContact CD1-CG1 4.25Å; L468-V566 HydrophobicContact CD2-CB 4.4Å; L468-V566 HydrophobicContact CD2-CG2 4.01Å; L468-V566 HydrophobicContact CG-CB 4.43Å; L468-V566 HydrophobicContact CG-CG1 4.43Å; L468-V566 HydrophobicContact CG-CG2 4.2Å; A472-V566 HydrophobicContact CB-CG1 3.17Å; L552-V566 HydrophobicContact CD2-CG1 4.37Å; A556-V566 HydrophobicContact CB-CG2 4.21Å; P562-V566 WeakPolarHBondContact O-CG2 3.34Å; P562-V566 PolarHBondContact O-N 3.47Å; V563-V566 PolarHBondContact O-N 3.18Å; V566-N568 VanDerWaalsContact C-N 3.33Å; V566-N568 PolarHBondContact O-N 3.11Å; V566-A569 WeakPolarHBondContact O-CA 3.29Å; V566-A569 VanDerWaalsContact O-CB 3.25Å; V566-A569 WeakPolarHBondContact O-CB 3.49Å; V566-A569 PolarHBondContact O-N 3.3Å; V566-L570 PolarHBondContact O-N 3.43Å
567L86.9Confident86.6Confident35 Ų3557.6 Ų57.618%0.18329%0.285CS..Hα-helixtrans-59.9-41.5173.2-75.2179.9000112.6V563 E564 A569 L570 R571 D582 L585V563-L567 HydrophobicContact CG1-CD1 4.13Å; V563-L567 HydrophobicContact CG1-CG 4.42Å; V563-L567 WeakPolarHBondContact O-CB 3.35Å; V563-L567 WeakPolarHBondContact O-CG 3.47Å; V563-L567 PolarHBondContact O-N 2.86Å; E564-L567 PolarHBondContact O-N 3.3Å; L567-A569 PolarHBondContact O-N 3.24Å; L567-L570 HydrophobicContact CD2-CD1 4.16Å; L567-L570 WeakPolarHBondContact O-CA 3.3Å; L567-L570 WeakPolarHBondContact O-CB 3.12Å; L567-L570 PolarHBondContact O-N 3.4Å; L567-R571 PolarHBondContact O-N 3.09Å; L567-D582 VanDerWaalsContact CD2-OD1 3.29Å; L567-D582 WeakPolarHBondContact CD2-OD1 3.49Å; L567-L585 HydrophobicContact CD1-CD2 4.26Å; L567-L585 HydrophobicContact CD2-CB 3.91Å; L567-L585 HydrophobicContact CD2-CD2 3.28Å; L567-L585 HydrophobicContact CD2-CG 4.21Å; L567-L585 HydrophobicContact CG-CD2 3.61Å
568N86.3Confident86.5Confident96 Ų9661.5 Ų61.551%0.51331%0.306SS..Hα-helixtrans-59.7-27.9174.5-78.9-38.7000112.6E564 V566 L570 R571E564-N568 WeakPolarHBondContact O-CB 3.21Å; E564-N568 VanDerWaalsContact O-CG 3.23Å; E564-N568 PolarHBondContact O-N 3.35Å; E564-N568 PolarHBondContact O-ND2 3.47Å; V566-N568 VanDerWaalsContact C-N 3.33Å; V566-N568 PolarHBondContact O-N 3.11Å; N568-L570 VanDerWaalsContact C-N 3.29Å; N568-R571 WeakPolarHBondContact O-CB 3.28Å
569A83Confident86.7Confident25 Ų2558.5 Ų58.521%0.20728%0.283CS..Hα-helixtrans-72.1-22.8172.800000112.6L489 L492 L552 T565 V566 L567L489-A569 WeakPolarHBondContact CD2-O 3.42Å; L492-A569 HydrophobicContact CD1-CB 4.29Å; L552-A569 HydrophobicContact CD2-CB 4.26Å; T565-A569 PolarHBondContact O-N 2.95Å; V566-A569 WeakPolarHBondContact O-CA 3.29Å; V566-A569 VanDerWaalsContact O-CB 3.25Å; V566-A569 WeakPolarHBondContact O-CB 3.49Å; V566-A569 PolarHBondContact O-N 3.3Å; L567-A569 PolarHBondContact O-N 3.24Å
570L80.4Confident86.7Confident2 Ų258.7 Ų58.71%0.0128%0.284CS..THydrogen-bonded Turntrans-90.74.1179.6-53.1175.5000113.2I475 H476 V566 L567 N568 D572 E573 P581I475-L570 HydrophobicContact CB-CD1 4.44Å; I475-L570 HydrophobicContact CD1-CD1 4.47Å; I475-L570 HydrophobicContact CG2-CD1 3.93Å; H476-L570 HydrophobicContact CB-CD2 3.91Å; V566-L570 PolarHBondContact O-N 3.43Å; L567-L570 HydrophobicContact CD2-CD1 4.16Å; L567-L570 WeakPolarHBondContact O-CA 3.3Å; L567-L570 WeakPolarHBondContact O-CB 3.12Å; L567-L570 PolarHBondContact O-N 3.4Å; N568-L570 VanDerWaalsContact C-N 3.29Å; L570-D572 VanDerWaalsContact C-N 3.25Å; L570-D572 PolarHBondContact O-N 2.96Å; L570-D572 VanDerWaalsContact O-N 3.13Å; L570-E573 WeakPolarHBondContact CD2-OE1 3.33Å; L570-E573 VanDerWaalsContact O-CB 3.28Å; L570-E573 WeakPolarHBondContact O-CB 3.12Å; L570-E573 WeakPolarHBondContact O-CG 3.37Å; L570-E573 PolarHBondContact O-N 3.08Å; L570-P581 HydrophobicContact CB-CB 3.95Å; L570-P581 HydrophobicContact CB-CG 4.41Å; L570-P581 HydrophobicContact CD1-CB 4.02Å
571R77.3Confident86.8Confident209 Ų20949.7 Ų49.779%0.78925%0.251SS*.THydrogen-bonded Turntrans-62.5-24.8-168.6-167.6177.7-178.2-158.50.8115L567 N568 E573L567-R571 PolarHBondContact O-N 3.09Å; N568-R571 WeakPolarHBondContact O-CB 3.28Å; R571-E573 VanDerWaalsContact C-N 3.27Å; R571-E573 PolarHBondContact O-N 3.35Å
572D74.3Confident86.8Confident48 Ų4848.4 Ų48.426%0.25725%0.254SS..THydrogen-bonded Turntrans-83.9-0.9179.8-56.2-34.4000113S486 L489 L570S486-D572 WeakPolarHBondContact CB-OD2 3.33Å; S486-D572 PolarHBondContact OG-OD2 3.3Å; L489-D572 HydrophobicContact CD1-CB 3.74Å; L489-D572 VanDerWaalsContact CD1-OD2 3.28Å; L489-D572 WeakPolarHBondContact CD1-OD2 3.34Å; L570-D572 VanDerWaalsContact C-N 3.25Å; L570-D572 PolarHBondContact O-N 2.96Å; L570-D572 VanDerWaalsContact O-N 3.13Å
573E77.5Confident86.9Confident12 Ų1253.1 Ų53.16%0.05628%0.275CS..EExtended strand (participates in β ladder)trans-87.4127.1-177.7-62.7174.3-171.700111.2I475 H476 A479 F481 L570 R571 P581I475-E573 WeakPolarHBondContact CG2-OE2 3.32Å; H476-E573 VanDerWaalsContact CA-OE1 3.25Å; H476-E573 WeakPolarHBondContact CA-OE1 3.27Å; H476-E573 VanDerWaalsContact CB-OE1 3.29Å; H476-E573 WeakPolarHBondContact CB-OE1 3.3Å; H476-E573 IonicContact CD2-OE1 3.89Å; H476-E573 PolarHBondContact CD2-OE1 3.49Å; H476-E573 IonicContact CG-OE1 2.97Å; H476-E573 IonicContact NE2-OE1 2.72Å; A479-E573 HydrophobicContact CB-CB 3.79Å; A479-E573 HydrophobicContact CB-CG 3.48Å; A479-E573 VanDerWaalsContact CB-CG 3.48Å; A479-E573 WeakPolarHBondContact CB-OE2 3.37Å; F481-E573 HydrophobicContact CD1-CG 4.4Å; F481-E573 HydrophobicContact CE1-CG 3.84Å; F481-E573 HydrophobicContact CZ-CG 4.35Å; L570-E573 WeakPolarHBondContact CD2-OE1 3.33Å; L570-E573 VanDerWaalsContact O-CB 3.28Å; L570-E573 WeakPolarHBondContact O-CB 3.12Å; L570-E573 WeakPolarHBondContact O-CG 3.37Å; L570-E573 PolarHBondContact O-N 3.08Å; R571-E573 VanDerWaalsContact C-N 3.27Å; R571-E573 PolarHBondContact O-N 3.35Å; E573-P581 HydrophobicContact CB-CG 3.69Å
574A76.8Confident87.1Confident37 Ų3752.5 Ų52.531%0.30627%0.271SS..EExtended strand (participates in β ladder)trans-74.4-56.2-175.300000111.7K480 T482K480-A574 WeakPolarHBondContact O-CB 3.42Å; K480-A574 PolarHBondContact O-N 3.19Å; T482-A574 HydrophobicContact CG2-CB 3.2Å
575T89.6Confident87.3Confident49 Ų4949 Ų4930%0.30126%0.255SS..EExtended strand (participates in β ladder)trans-155.7150-177.455.40000109.6K480 M579K480-T575 PolarHBondContact N-O 3.21Å; T575-M579 CarbonylContact C-O 3.55Å; T575-M579 VanDerWaalsContact CA-O 3.31Å; T575-M579 WeakPolarHBondContact CA-O 3.4Å
576V91.1Very high87.5Confident0 Ų049.2 Ų49.20%026%0.261CS..EExtended strand (participates in β ladder)trans-131.5117.1172.548.90000106.1I475 N478 D578 M579 P581 L584I475-V576 HydrophobicContact CG2-CB 4.44Å; I475-V576 HydrophobicContact CG2-CG1 4.03Å; I475-V576 HydrophobicContact CG2-CG2 4.46Å; N478-V576 HydrophobicContact CB-CG2 3.84Å; V576-D578 VanDerWaalsContact C-N 3.26Å; V576-D578 PolarHBondContact O-N 2.92Å; V576-M579 HydrophobicContact CG1-CG 4.45Å; V576-M579 PolarHBondContact N-O 3.42Å; V576-M579 WeakPolarHBondContact O-CG 3.49Å; V576-M579 PolarHBondContact O-N 3.14Å; V576-P581 HydrophobicContact CG1-CG 4.39Å; V576-L584 HydrophobicContact CB-CD2 4.39Å; V576-L584 HydrophobicContact CG1-CB 4.29Å; V576-L584 HydrophobicContact CG1-CD2 3.81Å; V576-L584 HydrophobicContact CG2-CD2 3.66Å
577F92.6Very high87.8Confident50 Ų5052.8 Ų52.822%0.21928%0.277CS..THydrogen-bonded Turntrans47.346.4-173.9-52.3-67.9000114P439 Q441 L442 N478 M579 L584P439-F577 HydrophobicContact CB-CB 3.88Å; P439-F577 HydrophobicContact CB-CD1 4.22Å; P439-F577 HydrophobicContact CB-CD2 3.88Å; P439-F577 HydrophobicContact CB-CE2 4.49Å; P439-F577 HydrophobicContact CB-CG 3.73Å; P439-F577 HydrophobicContact CG-CB 3.49Å; P439-F577 VanDerWaalsContact CG-CB 3.49Å; P439-F577 HydrophobicContact CG-CD2 3.72Å; P439-F577 HydrophobicContact CG-CG 3.74Å; Q441-F577 HydrophobicContact CB-CE1 3.9Å; Q441-F577 HydrophobicContact CB-CZ 3.89Å; Q441-F577 HydrophobicContact CG-CE1 3.83Å; Q441-F577 HydrophobicContact CG-CZ 4.34Å; L442-F577 HydrophobicContact CD1-CD2 4.24Å; L442-F577 HydrophobicContact CD1-CE2 3.89Å; L442-F577 HydrophobicContact CD2-CE2 4.03Å; L442-F577 HydrophobicContact CD2-CZ 4.42Å; L442-F577 HydrophobicContact CG-CE2 3.87Å; L442-F577 HydrophobicContact CG-CZ 4.46Å; N478-F577 HydrophobicContact CB-CD2 4.47Å; N478-F577 HydrophobicContact CB-CE1 4.46Å; N478-F577 HydrophobicContact CB-CE2 3.65Å; N478-F577 HydrophobicContact CB-CZ 3.66Å; N478-F577 VanDerWaalsContact OD1-CZ 3.27Å; N478-F577 WeakPolarHBondContact OD1-CZ 3.06Å; F577-M579 PolarHBondContact O-N 3.02Å; F577-M579 VanDerWaalsContact O-N 3.14Å; F577-L584 HydrophobicContact CD2-CD2 4.23Å
578D90.5Very high88.2Confident142 Ų14251.2 Ų51.276%0.75927%0.269SS*.THydrogen-bonded Turntrans62.118178.3-49.5-43.2000115.4V576V576-D578 VanDerWaalsContact C-N 3.26Å; V576-D578 PolarHBondContact O-N 2.92Å
579M92.3Very high88.6Confident33 Ų3350.6 Ų50.616%0.16326%0.263CS..BIsolated β-bridgetrans-125.3163.5169.758.7-175.378.700111.3P439 T575 V576 F577 Q583 L584 K587P439-M579 HydrophobicContact CG-CE 3.69Å; T575-M579 CarbonylContact C-O 3.55Å; T575-M579 VanDerWaalsContact CA-O 3.31Å; T575-M579 WeakPolarHBondContact CA-O 3.4Å; V576-M579 HydrophobicContact CG1-CG 4.45Å; V576-M579 PolarHBondContact N-O 3.42Å; V576-M579 WeakPolarHBondContact O-CG 3.49Å; V576-M579 PolarHBondContact O-N 3.14Å; F577-M579 PolarHBondContact O-N 3.02Å; F577-M579 VanDerWaalsContact O-N 3.14Å; M579-Q583 HydrophobicContact CB-CB 4.46Å; M579-L584 HydrophobicContact CG-CB 4.01Å; M579-L584 HydrophobicContact SD-CB 3.54Å; M579-L584 VanDerWaalsContact SD-CB 3.54Å; M579-L584 HydrophobicContact SD-CD1 3.67Å; M579-L584 HydrophobicContact SD-CD2 4.28Å; M579-L584 HydrophobicContact SD-CG 4Å; M579-K587 HydrophobicContact SD-CD 4.3Å
580S91.7Very high89Confident37 Ų3756.7 Ų56.726%0.25929%0.291SS..  trans-72.7152.1171.360.70000111.2D582 Q583 L584S580-D582 VanDerWaalsContact C-N 3.25Å; S580-D582 PolarHBondContact O-N 2.79Å; S580-Q583 PolarHBondContact O-N 2.8Å; S580-Q583 WeakPolarHBondContact OG-CB 3.28Å; S580-Q583 WeakPolarHBondContact OG-CG 3.49Å; S580-Q583 PolarHBondContact OG-N 3.42Å; S580-Q583 PolarHBondContact OG-OE1 2.9Å; S580-L584 PolarHBondContact O-N 2.96Å; S580-L584 VanDerWaalsContact O-N 3.08Å
581P91.7Very high89.6Confident9 Ų957.1 Ų57.16%0.05829%0.293CS..Hα-helixtrans-51.9-43.1173.6-26.633.3000113.1I475 L570 E573 V576 Q583 L584 L585I475-P581 HydrophobicContact CG2-CB 3.93Å; L570-P581 HydrophobicContact CB-CB 3.95Å; L570-P581 HydrophobicContact CB-CG 4.41Å; L570-P581 HydrophobicContact CD1-CB 4.02Å; E573-P581 HydrophobicContact CB-CG 3.69Å; V576-P581 HydrophobicContact CG1-CG 4.39Å; P581-Q583 PolarHBondContact O-N 3.23Å; P581-L584 PolarHBondContact O-N 2.83Å; P581-L585 WeakPolarHBondContact O-CB 3.42Å; P581-L585 PolarHBondContact O-N 2.82Å
582D91.6Very high90.4Very high92 Ų9247.2 Ų47.249%0.49226%0.256SS..Hα-helixtrans-61-45.5179.3-62.8-8.5000112L567 S580 L585 A586L567-D582 VanDerWaalsContact CD2-OD1 3.29Å; L567-D582 WeakPolarHBondContact CD2-OD1 3.49Å; S580-D582 VanDerWaalsContact C-N 3.25Å; S580-D582 PolarHBondContact O-N 2.79Å; D582-L585 PolarHBondContact O-N 3.3Å; D582-A586 VanDerWaalsContact O-CB 3.3Å; D582-A586 WeakPolarHBondContact O-CB 3.49Å; D582-A586 PolarHBondContact O-N 2.82Å
583Q93.6Very high91.3Very high107 Ų10747.2 Ų47.250%0.526%0.259SS..Hα-helixtrans-63.4-43.1177.7-76.4166-23.700111.6M579 S580 P581 K587M579-Q583 HydrophobicContact CB-CB 4.46Å; S580-Q583 PolarHBondContact O-N 2.8Å; S580-Q583 WeakPolarHBondContact OG-CB 3.28Å; S580-Q583 WeakPolarHBondContact OG-CG 3.49Å; S580-Q583 PolarHBondContact OG-N 3.42Å; S580-Q583 PolarHBondContact OG-OE1 2.9Å; P581-Q583 PolarHBondContact O-N 3.23Å; Q583-K587 WeakPolarHBondContact O-CD 3.42Å; Q583-K587 VanDerWaalsContact O-CG 3.28Å; Q583-K587 WeakPolarHBondContact O-CG 3.36Å; Q583-K587 PolarHBondContact O-N 3.11Å; Q583-K587 VanDerWaalsContact O-N 3.11Å
584L94.6Very high92.1Very high0 Ų047.1 Ų47.10%026%0.258CS..Hα-helixtrans-65.8-47.2178.4-177.147.3000110.9I438 L442 I475 V576 F577 M579 S580 P581 A586 K587 L588I438-L584 HydrophobicContact CD1-CD1 4.49Å; L442-L584 HydrophobicContact CD1-CD1 4.08Å; L442-L584 HydrophobicContact CD1-CD2 3.93Å; L442-L584 HydrophobicContact CD1-CG 4.49Å; I475-L584 HydrophobicContact CD1-CB 4.43Å; I475-L584 HydrophobicContact CD1-CG 4.24Å; I475-L584 HydrophobicContact CG1-CD2 3.86Å; I475-L584 HydrophobicContact CG1-CG 4.09Å; V576-L584 HydrophobicContact CB-CD2 4.39Å; V576-L584 HydrophobicContact CG1-CB 4.29Å; V576-L584 HydrophobicContact CG1-CD2 3.81Å; V576-L584 HydrophobicContact CG2-CD2 3.66Å; F577-L584 HydrophobicContact CD2-CD2 4.23Å; M579-L584 HydrophobicContact CG-CB 4.01Å; M579-L584 HydrophobicContact SD-CB 3.54Å; M579-L584 VanDerWaalsContact SD-CB 3.54Å; M579-L584 HydrophobicContact SD-CD1 3.67Å; M579-L584 HydrophobicContact SD-CD2 4.28Å; M579-L584 HydrophobicContact SD-CG 4Å; S580-L584 PolarHBondContact O-N 2.96Å; S580-L584 VanDerWaalsContact O-N 3.08Å; P581-L584 PolarHBondContact O-N 2.83Å; L584-A586 VanDerWaalsContact C-N 3.32Å; L584-A586 PolarHBondContact O-N 3.27Å; L584-K587 PolarHBondContact O-N 3.18Å; L584-L588 HydrophobicContact CD1-CD1 4.37Å; L584-L588 HydrophobicContact CD1-CG 4.17Å; L584-L588 HydrophobicContact CG-CD1 4.26Å; L584-L588 WeakPolarHBondContact O-CG 3.44Å; L584-L588 PolarHBondContact O-N 3.36Å
585L94.3Very high92.9Very high1 Ų145.4 Ų45.41%0.00524%0.244CC..Hα-helixtrans-62.5-40.1-179.9-167.270.4000111.7L468 A471 I475 V563 L567 P581 D582 K587 L588 Q589 F594L468-L585 HydrophobicContact CD1-CD1 4.09Å; L468-L585 HydrophobicContact CD1-CD2 3.96Å; A471-L585 HydrophobicContact CB-CD1 4.06Å; I475-L585 HydrophobicContact CD1-CB 3.85Å; I475-L585 HydrophobicContact CD1-CD1 3.78Å; I475-L585 HydrophobicContact CD1-CG 4.41Å; V563-L585 HydrophobicContact CG1-CD2 3.94Å; L567-L585 HydrophobicContact CD1-CD2 4.26Å; L567-L585 HydrophobicContact CD2-CB 3.91Å; L567-L585 HydrophobicContact CD2-CD2 3.28Å; L567-L585 HydrophobicContact CD2-CG 4.21Å; L567-L585 HydrophobicContact CG-CD2 3.61Å; P581-L585 WeakPolarHBondContact O-CB 3.42Å; P581-L585 PolarHBondContact O-N 2.82Å; D582-L585 PolarHBondContact O-N 3.3Å; L585-K587 PolarHBondContact O-N 3.19Å; L585-L588 PolarHBondContact O-N 2.77Å; L585-Q589 WeakPolarHBondContact O-CB 3.37Å; L585-Q589 PolarHBondContact O-N 2.89Å; L585-F594 HydrophobicContact CD1-CD2 4.43Å; L585-F594 HydrophobicContact CD1-CE2 3.5Å; L585-F594 VanDerWaalsContact CD1-CE2 3.5Å; L585-F594 HydrophobicContact CD1-CZ 3.96Å; L585-F594 HydrophobicContact CG-CE2 3.9Å
586A93.2Very high92.8Very high50 Ų5051.4 Ų51.441%0.41327%0.266SS..Hα-helixtrans-61.2-42.6175.300000112D582 L584 Q589 L590D582-A586 VanDerWaalsContact O-CB 3.3Å; D582-A586 WeakPolarHBondContact O-CB 3.49Å; D582-A586 PolarHBondContact O-N 2.82Å; L584-A586 VanDerWaalsContact C-N 3.32Å; L584-A586 PolarHBondContact O-N 3.27Å; A586-Q589 WeakPolarHBondContact O-CB 3.25Å; A586-Q589 PolarHBondContact O-N 3.11Å; A586-L590 PolarHBondContact O-N 3.06Å
587K94.7Very high92.4Very high75 Ų7556.1 Ų56.133%0.32629%0.288SS..Hα-helixtrans-63.9-41.7175-69.8164.9176.9-73.60111.8A437 I438 M579 Q583 L584 L585 Q589 L590A437-K587 HydrophobicContact CB-CD 4.48Å; A437-K587 WeakPolarHBondContact O-CD 3.5Å; I438-K587 HydrophobicContact CD1-CB 3.65Å; M579-K587 HydrophobicContact SD-CD 4.3Å; Q583-K587 WeakPolarHBondContact O-CD 3.42Å; Q583-K587 VanDerWaalsContact O-CG 3.28Å; Q583-K587 WeakPolarHBondContact O-CG 3.36Å; Q583-K587 PolarHBondContact O-N 3.11Å; Q583-K587 VanDerWaalsContact O-N 3.11Å; L584-K587 PolarHBondContact O-N 3.18Å; L585-K587 PolarHBondContact O-N 3.19Å; K587-Q589 VanDerWaalsContact C-N 3.33Å; K587-Q589 PolarHBondContact O-N 2.83Å; K587-L590 WeakPolarHBondContact O-CB 3.23Å; K587-L590 PolarHBondContact O-N 3.23Å
588L95.4Very high91.5Very high2 Ų259.8 Ų59.81%0.0131%0.309CS..Hα-helixtrans-63-39.7175.6-67.7176.2000111.9I438 V446 A471 I475 L584 L585 L590 I591 I592 F594I438-L588 HydrophobicContact CD1-CD2 3.99Å; V446-L588 HydrophobicContact CG2-CD2 3.32Å; A471-L588 HydrophobicContact CB-CD1 4Å; I475-L588 HydrophobicContact CD1-CD1 4.23Å; L584-L588 HydrophobicContact CD1-CD1 4.37Å; L584-L588 HydrophobicContact CD1-CG 4.17Å; L584-L588 HydrophobicContact CG-CD1 4.26Å; L584-L588 WeakPolarHBondContact O-CG 3.44Å; L584-L588 PolarHBondContact O-N 3.36Å; L585-L588 PolarHBondContact O-N 2.77Å; L588-L590 PolarHBondContact O-N 3.01Å; L588-I591 PolarHBondContact O-N 3.3Å; L588-I592 PolarHBondContact O-N 3.33Å; L588-F594 HydrophobicContact CB-CE2 4.31Å; L588-F594 HydrophobicContact CB-CZ 4.07Å
589Q94Very high90Very high82 Ų8258.1 Ų58.138%0.38331%0.308SS..Hα-helixtrans-63-26.9179-172.517316.300113.3L585 A586 K587 I591 I592 F594L585-Q589 WeakPolarHBondContact O-CB 3.37Å; L585-Q589 PolarHBondContact O-N 2.89Å; A586-Q589 WeakPolarHBondContact O-CB 3.25Å; A586-Q589 PolarHBondContact O-N 3.11Å; K587-Q589 VanDerWaalsContact C-N 3.33Å; K587-Q589 PolarHBondContact O-N 2.83Å; Q589-I591 PolarHBondContact O-N 2.86Å; Q589-I592 VanDerWaalsContact O-O 3.13Å; Q589-F594 HydrophobicContact CB-CD2 3.54Å; Q589-F594 HydrophobicContact CB-CE2 3.79Å; Q589-F594 HydrophobicContact CB-CG 4.41Å; Q589-F594 HydrophobicContact CG-CB 4.13Å; Q589-F594 HydrophobicContact CG-CD2 3.67Å; Q589-F594 HydrophobicContact CG-CE2 4.42Å; Q589-F594 HydrophobicContact CG-CG 4.18Å
590L92.8Very high87.9Confident154 Ų15461.3 Ų61.381%0.80633%0.334SS*.Hα-helixtrans-67.2-25.8174.2-65.1174.8000112.3A586 K587 L588A586-L590 PolarHBondContact O-N 3.06Å; K587-L590 WeakPolarHBondContact O-CB 3.23Å; K587-L590 PolarHBondContact O-N 3.23Å; L588-L590 PolarHBondContact O-N 3.01Å
591I92.9Very high85.5Confident10 Ų1063.7 Ų63.75%0.05136%0.356CS..Hα-helixtrans-102.8-45.2-173.9-51.2173.5000110.4F430 D434 I438 V446 K450 L588 Q589F430-I591 HydrophobicContact CD2-CG2 4.4Å; F430-I591 HydrophobicContact CE2-CG2 3.53Å; F430-I591 HydrophobicContact CZ-CG2 4.12Å; D434-I591 HydrophobicContact CB-CD1 4.02Å; D434-I591 HydrophobicContact CB-CG1 4.11Å; D434-I591 VanDerWaalsContact O-CD1 3.28Å; D434-I591 WeakPolarHBondContact O-CD1 3.34Å; I438-I591 HydrophobicContact CD1-CD1 4.11Å; I438-I591 HydrophobicContact CG1-CD1 3.74Å; V446-I591 HydrophobicContact CG1-CB 4.29Å; V446-I591 HydrophobicContact CG1-CD1 4.02Å; V446-I591 HydrophobicContact CG1-CG2 3.74Å; K450-I591 WeakPolarHBondContact CD-O 3.48Å; K450-I591 PolarHBondContact NZ-O 3.27Å; L588-I591 PolarHBondContact O-N 3.3Å; Q589-I591 PolarHBondContact O-N 2.86Å
592I93.6Very high82.8Confident2 Ų270 Ų701%0.0140%0.395CS..SBendtrans-105.7128.3-173.9-52-55.8000109.5V446 L449 K450 T453 A467 L588 Q589 F594V446-I592 HydrophobicContact CG1-CD1 4.14Å; V446-I592 HydrophobicContact CG1-CG1 4.37Å; V446-I592 WeakPolarHBondContact O-CD1 3.25Å; L449-I592 HydrophobicContact CB-CD1 3.72Å; L449-I592 HydrophobicContact CB-CG1 4.17Å; L449-I592 HydrophobicContact CB-CG2 4.34Å; L449-I592 HydrophobicContact CD1-CG1 4.46Å; K450-I592 HydrophobicContact CB-CD1 3.69Å; K450-I592 HydrophobicContact CD-CD1 4.36Å; K450-I592 VanDerWaalsContact N-CD1 3.3Å; T453-I592 HydrophobicContact CG2-CG2 4.29Å; A467-I592 HydrophobicContact CB-CG2 3.8Å; L588-I592 PolarHBondContact O-N 3.33Å; Q589-I592 VanDerWaalsContact O-O 3.13Å; I592-F594 HydrophobicContact CB-CE1 3.96Å; I592-F594 HydrophobicContact CB-CZ 4.47Å; I592-F594 HydrophobicContact CG2-CD1 4.18Å; I592-F594 HydrophobicContact CG2-CE1 3.72Å; I592-F594 PolarHBondContact O-N 3.44Å
593P92.6Very high79.9Confident48 Ų4868.2 Ų68.231%0.31240%0.398SS..  trans-68119.7179.429.3-34.7000110.3T453 Q464T453-P593 HydrophobicContact CG2-CG 4.05Å; Q464-P593 HydrophobicContact CG-CB 4.05Å; Q464-P593 WeakPolarHBondContact CG-O 3.21Å
594F95.1Very high76.9Confident9 Ų969.6 Ų69.64%0.03941%0.413CS..  trans-106.5161.9170.8-66.5-16.6000111.2A467 L468 A471 V563 L585 L588 Q589 I592 K596A467-F594 HydrophobicContact CB-CD1 4.31Å; A467-F594 HydrophobicContact CB-CE1 4.25Å; L468-F594 HydrophobicContact CB-CD1 4.05Å; L468-F594 HydrophobicContact CB-CE1 4.46Å; L468-F594 HydrophobicContact CB-CG 4.24Å; L468-F594 HydrophobicContact CD1-CD2 3.99Å; L468-F594 HydrophobicContact CD1-CE2 4.21Å; L468-F594 HydrophobicContact CD1-CG 4.27Å; A471-F594 HydrophobicContact CB-CE1 4.14Å; A471-F594 HydrophobicContact CB-CZ 3.63Å; V563-F594 HydrophobicContact CG2-CB 4.28Å; L585-F594 HydrophobicContact CD1-CD2 4.43Å; L585-F594 HydrophobicContact CD1-CE2 3.5Å; L585-F594 VanDerWaalsContact CD1-CE2 3.5Å; L585-F594 HydrophobicContact CD1-CZ 3.96Å; L585-F594 HydrophobicContact CG-CE2 3.9Å; L588-F594 HydrophobicContact CB-CE2 4.31Å; L588-F594 HydrophobicContact CB-CZ 4.07Å; Q589-F594 HydrophobicContact CB-CD2 3.54Å; Q589-F594 HydrophobicContact CB-CE2 3.79Å; Q589-F594 HydrophobicContact CB-CG 4.41Å; Q589-F594 HydrophobicContact CG-CB 4.13Å; Q589-F594 HydrophobicContact CG-CD2 3.67Å; Q589-F594 HydrophobicContact CG-CE2 4.42Å; Q589-F594 HydrophobicContact CG-CG 4.18Å; I592-F594 HydrophobicContact CB-CE1 3.96Å; I592-F594 HydrophobicContact CB-CZ 4.47Å; I592-F594 HydrophobicContact CG2-CD1 4.18Å; I592-F594 HydrophobicContact CG2-CE1 3.72Å; I592-F594 PolarHBondContact O-N 3.44Å; F594-K596 PolarHBondContact O-N 3.22Å
595P92.9Very high73.7Confident2 Ų276.1 Ų76.11%0.01345%0.453CS..PPolyproline II helixtrans-60.5134.8-179-20.632.8000110.8Q464 N465 L468 P562Q464-P595 HydrophobicContact CB-CG 3.96Å; Q464-P595 WeakPolarHBondContact O-CD 3.49Å; N465-P595 HydrophobicContact CB-CG 4.31Å; N465-P595 WeakPolarHBondContact OD1-CG 3.44Å; L468-P595 HydrophobicContact CD2-CG 4.27Å; P562-P595 HydrophobicContact CB-CB 4.13Å; P562-P595 HydrophobicContact CB-CG 4.25Å; P562-P595 HydrophobicContact CG-CB 3.97Å
596K87.3Confident70.6Confident174 Ų17481 Ų8176%0.75749%0.488SS*.PPolyproline II helixtrans-71146.2172.9-63.4178.3-177.41730110.1F594F594-K596 PolarHBondContact O-N 3.22Å
597E83.6Confident67.5Low100 Ų10088.4 Ų88.447%0.46751%0.511SS..PPolyproline II helixtrans-69.2134.1169.6-61.9-170.1173.900109.9R561 S599R561-E597 HydrophobicContact CB-CG 4.34Å; R561-E597 HydrophobicContact CG-CB 4.45Å; R561-E597 HydrophobicContact CG-CG 4.28Å; E597-S599 PolarHBondContact O-N 3.5Å; E597-S599 VanDerWaalsContact O-N 3.11Å
598L73.2Confident64.4Low126 Ų12691 Ų9166%0.6653%0.533SS*.  trans-70.4108.6170.5-76.6156.3000107.2R560 S600R560-L598 HydrophobicContact CG-CD1 4.45Å; R560-L598 PolarHBondContact O-N 3.16Å; R560-L598 VanDerWaalsContact O-N 3.17Å; L598-S600 PolarHBondContact O-N 2.91Å
599S59.6Low61.2Low107 Ų10797.5 Ų97.575%0.74857%0.573SS**  trans-53.1135.4174.353.70000109.1E597 A601E597-S599 PolarHBondContact O-N 3.5Å; E597-S599 VanDerWaalsContact O-N 3.11Å; S599-A601 PolarHBondContact O-N 3.18Å
600S48.6Very low58Low100 Ų10098.5 Ų98.570%0.69959%0.585SS**  trans-64.292.9165.454.30000106.4L598 T602L598-S600 PolarHBondContact O-N 2.91Å; S600-T602 VanDerWaalsContact C-N 3.26Å; S600-T602 PolarHBondContact O-N 3.32Å
601A41.1Very low55Low87 Ų8799.2 Ų99.272%0.71959%0.59SS**  trans-60.2101.5164.400000106.1S599 G603S599-A601 PolarHBondContact O-N 3.18Å; A601-G603 PolarHBondContact O-N 3.09Å
602T34.3Very low52Low143 Ų143107.2 Ų107.288%0.87762%0.624SS**  trans-61.665.7152.133.50000107.3S600S600-T602 VanDerWaalsContact C-N 3.26Å; S600-T602 PolarHBondContact O-N 3.32Å
603G31.4Very low49Very low54 Ų54113.3 Ų113.356%0.55766%0.662SS**  trans-10196.7177.100000107.7A601 T605A601-G603 PolarHBondContact O-N 3.09Å; G603-T605 PolarHBondContact O-N 3.29Å
604T29.4Very low46.1Very low135 Ų135122.1 Ų122.183%0.82869%0.689SS**  trans-34121.2162.214.80000110.6S606T604-S606 PolarHBondContact O-N 3.33Å
605T28.1Very low43Very low137 Ų137130.2 Ų130.284%0.8473%0.726SS**  trans-57.993.6172.6400000110.5G603 K607G603-T605 PolarHBondContact O-N 3.29Å; T605-K607 PolarHBondContact O-N 3.41Å
606S28.9Very low40Very low105 Ų105140.3 Ų140.373%0.73476%0.764SS**  trans-83.6100.9154.954.10000107.4T604 T608T604-S606 PolarHBondContact O-N 3.33Å; S606-T608 PolarHBondContact O-N 3.32Å
607K27.7Very low37.3Very low204 Ų204137.4 Ų137.489%0.88776%0.761SS**  trans-56107.4168.5-69.2173.7177.81740108.1T605T605-K607 PolarHBondContact O-N 3.41Å
608T29.4Very low34.6Very low131 Ų131140 Ų14080%0.80477%0.771SS**  trans-119.5120.2157.2160000109.3S606S606-T608 PolarHBondContact O-N 3.32Å
609T28.8Very low32.7Very low137 Ų137140.8 Ų140.884%0.8478%0.775SS**  trans-59.6137.7-172.96.60000112.1
610T26.8Very low31.1Very low104 Ų104144.3 Ų144.364%0.63878%0.777SS**  trans-37.5129.916545.40000114.1
611N29.6Very low30.3Very low169 Ų169145.5 Ų145.590%0.90478%0.78SS**  trans-124106.8140-97.5-18.2000108.8
612K30.1Very low29.7Very low178 Ų178147 Ų14777%0.77478%0.78SS**  trans-80.1111.9174-72.2172.2177.2168.50108.3
613T30.6Very low29.6Very low130 Ų130145.8 Ų145.880%0.79877%0.772SS**  trans-123.395.4154.921.40000108.1H615T613-H615 PolarHBondContact O-N 3.49Å
614R30.6Very low29.5Very low233 Ų233146.6 Ų146.688%0.87977%0.774SS**  trans-72.297.8172.1-78.8176166.4170.5-5.5108.7R616R614-R616 PolarHBondContact O-N 3.02Å
615H30.8Very low29.5Very low178 Ų178145.6 Ų145.682%0.82477%0.772SS**  trans-83.5100.3156.9-92.4-68.4000108.7T613 V617T613-H615 PolarHBondContact O-N 3.49Å; H615-V617 PolarHBondContact O-N 2.96Å
616R29.5Very low29.6Very low214 Ų214144.7 Ų144.781%0.80877%0.766SS**  trans-80.192.5172.2-170.9179.9-173.31763.1107.7R614 K618R614-R616 PolarHBondContact O-N 3.02Å; R616-K618 PolarHBondContact O-N 3.39Å
617V31.4Very low29.5Very low113 Ų113147.5 Ų147.569%0.68577%0.768SS**  trans-72109.3165.6-179.20000106.8H615 D619H615-V617 PolarHBondContact O-N 2.96Å; V617-D619 PolarHBondContact O-N 3.17Å
618K27.2Very low29.5Very low156 Ų156145.4 Ų145.468%0.67877%0.766SS**  trans-83.191.2169.7-78.5-179.3176.7175.70107.2R616 K620R616-K618 PolarHBondContact O-N 3.39Å; K618-K620 VanDerWaalsContact C-N 3.27Å; K618-K620 PolarHBondContact O-N 3.07Å
619D32.1Very low29.5Very low142 Ų142149.5 Ų149.576%0.75977%0.768SS**  trans-76.691.8159.4-72.1-27.5000107.6V617 V621V617-D619 PolarHBondContact O-N 3.17Å; D619-V621 VanDerWaalsContact C-N 3.29Å; D619-V621 PolarHBondContact O-N 3.46Å
620K27.6Very low29.4Very low180 Ų180147 Ų14778%0.78376%0.756SS**  trans-65.796.2159.5-89.9-176.5170.2-176.30106.3K618 V622K618-K620 VanDerWaalsContact C-N 3.27Å; K618-K620 PolarHBondContact O-N 3.07Å; K620-V622 HydrophobicContact CB-CG2 4.43Å; K620-V622 PolarHBondContact O-N 3.31Å
621V30.9Very low29.3Very low126 Ų126149 Ų14976%0.76476%0.763SS**  trans-68.294.3157.2179.40000106D619 V623D619-V621 VanDerWaalsContact C-N 3.29Å; D619-V621 PolarHBondContact O-N 3.46Å; V621-V623 VanDerWaalsContact C-N 3.34Å; V621-V623 HydrophobicContact CG1-CG2 4.37Å; V621-V623 PolarHBondContact O-N 3.26Å; V621-V623 VanDerWaalsContact O-N 3.08Å
622V29.4Very low29.1Very low117 Ų117146.5 Ų146.571%0.70975%0.754SS**  trans-68.699.5165.11780000105.1K620 A624K620-V622 HydrophobicContact CB-CG2 4.43Å; K620-V622 PolarHBondContact O-N 3.31Å; V622-A624 PolarHBondContact O-N 3.27Å
623V31.1Very low29Very low119 Ų119142.4 Ų142.472%0.72175%0.747SS**  trans-65.398.3162.1179.70000104.8V621 S625V621-V623 VanDerWaalsContact C-N 3.34Å; V621-V623 HydrophobicContact CG1-CG2 4.37Å; V621-V623 PolarHBondContact O-N 3.26Å; V621-V623 VanDerWaalsContact O-N 3.08Å; V623-S625 PolarHBondContact O-N 3.14Å
624A30.4Very low28.9Very low71 Ų71141.9 Ų141.959%0.58775%0.745SS**  trans-56.2112.916800000106.3V622 T626V622-A624 PolarHBondContact O-N 3.27Å; A624-T626 PolarHBondContact O-N 3.23Å
625S27.6Very low29.1Very low113 Ų113133.3 Ų133.379%0.7972%0.72SS**  trans-66.782.2164.7-49.60000105.9V623 E627V623-S625 PolarHBondContact O-N 3.14Å; S625-E627 PolarHBondContact O-N 3.18Å
626T30.8Very low29.1Very low119 Ų119127.7 Ų127.773%0.7370%0.696SS**  trans-65.2108.5166.9-43.50000104.9A624 L628A624-T626 PolarHBondContact O-N 3.23Å; T626-L628 PolarHBondContact O-N 2.97Å
627E27.2Very low29.5Very low163 Ų163121.8 Ų121.876%0.76267%0.674SS**  trans-47.2109.6170.8-69.8175.5160.200107.2S625 Y629S625-E627 PolarHBondContact O-N 3.18Å; E627-Y629 VanDerWaalsContact C-N 3.34Å; E627-Y629 PolarHBondContact O-N 3.08Å
628L28.5Very low29.8Very low161 Ų161117.2 Ų117.284%0.84365%0.646SS**  trans-56.8106.1168-112.283.5000105T626 S630T626-L628 PolarHBondContact O-N 2.97Å; L628-S630 PolarHBondContact O-N 3.17Å
629Y28.1Very low30.4Very low216 Ų216113.1 Ų113.185%0.84763%0.631SS**  trans-57.3101.8148.9-80.5-86.7000104.7E627 D631E627-Y629 VanDerWaalsContact C-N 3.34Å; E627-Y629 PolarHBondContact O-N 3.08Å; Y629-D631 PolarHBondContact O-N 2.86Å
630S26.7Very low30.7Very low86 Ų86108.5 Ų108.560%0.60161%0.606SS**  trans-63.288.4166.556.60000105.9L628 T632L628-S630 PolarHBondContact O-N 3.17Å; S630-T632 PolarHBondContact O-N 2.65Å
631D26.2Very low31.2Very low146 Ų146101.7 Ų101.778%0.78158%0.579SS**  trans-62.887.5155-102.6-17.7000105.5Y629 S633Y629-D631 PolarHBondContact O-N 2.86Å; D631-S633 PolarHBondContact O-N 2.99Å
632T24.9Very low31.3Very low116 Ų11698.8 Ų98.871%0.71256%0.564SS**  trans-74.835.6167.552.60000110S630 T634S630-T632 PolarHBondContact O-N 2.65Å; T632-T634 PolarHBondContact O-N 2.85Å
633S27.6Very low31.7Very low91 Ų9197.1 Ų97.164%0.63655%0.547SS*.  trans-67.993.5159.5780000105.7D631 S635D631-S633 PolarHBondContact O-N 2.99Å; S633-S635 PolarHBondContact O-N 2.84Å
634T29.1Very low31.6Very low120 Ų12093.5 Ų93.574%0.73653%0.529SS*.  trans-47.7104.8166.144.40000107.3T632 D636T632-T634 PolarHBondContact O-N 2.85Å; T634-D636 PolarHBondContact O-N 3.15Å
635S33.6Very low31.4Very low52 Ų5293.4 Ų93.436%0.36453%0.529SS..  trans-63.3132.9-170.6105.30000109.7R4 K93 S633 W637R4-S635 VanDerWaalsContact CZ-O 3.29Å; R4-S635 PolarHBondContact NH1-O 3.27Å; R4-S635 PolarHBondContact NH2-O 2.91Å; R4-S635 VanDerWaalsContact NH2-O 3.16Å; K93-S635 PolarHBondContact NZ-OG 3.46Å; S633-S635 PolarHBondContact O-N 2.84Å; S635-W637 PolarHBondContact O-N 2.86Å; S635-W637 VanDerWaalsContact O-N 3.08Å
636D30.3Very low31.4Very low60 Ų6093.5 Ų93.532%0.32152%0.52SS..  trans-74.413.3-170.9-84.6-18.4000116.1R4 T634R4-D636 VanDerWaalsContact NH1-C 3.26Å; R4-D636 VanDerWaalsContact NH1-CA 3.32Å; T634-D636 PolarHBondContact O-N 3.15Å
637W38Very low31.1Very low90 Ų9096.3 Ų96.334%0.34152%0.522SS..SBendtrans-113160.1-165.4-6285.6000114.8R4 S635 D639R4-W637 VanDerWaalsContact CD-C 3.5Å; R4-W637 WeakPolarHBondContact CD-O 3.37Å; R4-W637 PolarHBondContact NE-O 2.81Å; S635-W637 PolarHBondContact O-N 2.86Å; S635-W637 VanDerWaalsContact O-N 3.08Å; W637-D639 PolarHBondContact O-N 3.27Å
638D38.6Very low30.9Very low18 Ų1895.7 Ų95.710%0.09652%0.523CS..  trans-59.193.4-170.8-167.212.7000114.7R4 G5 D640R4-D638 WeakPolarHBondContact CA-OD1 3.44Å; R4-D638 HydrophobicContact CB-CB 3.84Å; R4-D638 HydrophobicContact CG-CB 4.47Å; G5-D638 PolarHBondContact N-OD1 3.45Å; D638-D640 PolarHBondContact O-N 2.92Å; D638-D640 VanDerWaalsContact OD1-CB 3.23Å; D638-D640 WeakPolarHBondContact OD1-CB 3.34Å; D638-D640 PolarHBondContact OD1-N 3.3Å
639D38.7Very low30.8Very low69 Ų6995.2 Ų95.237%0.36953%0.527SS..THydrogen-bonded Turntrans-68.7-12.1174.5-66.9-38.9000112.8R4 W637 N641 A644R4-D639 IonicContact CZ-OD2 2.6Å; R4-D639 IonicContact NE-OD2 2.66Å; R4-D639 IonicContact NH2-OD2 2.83Å; R4-D639 PolarHBondContact NH2-OD2 2.86Å; W637-D639 PolarHBondContact O-N 3.27Å; D639-N641 VanDerWaalsContact C-N 3.31Å; D639-A644 HydrophobicContact CB-CB 4.01Å
640D39.4Very low30.7Very low45 Ų4599.6 Ų99.624%0.24154%0.542CS..THydrogen-bonded Turntrans-80.4-14.3-178.2-61.7-16.8000112.9G5 S8 D638 S642G5-D640 WeakPolarHBondContact CA-OD2 3.4Å; G5-D640 PolarHBondContact N-OD2 3.36Å; G5-D640 VanDerWaalsContact N-OD2 3.17Å; S8-D640 VanDerWaalsContact CB-CG 3.46Å; S8-D640 WeakPolarHBondContact CB-OD1 3.43Å; S8-D640 WeakPolarHBondContact CB-OD2 3.22Å; S8-D640 PolarHBondContact N-OD2 2.96Å; S8-D640 PolarHBondContact OG-OD1 3.23Å; S8-D640 PolarHBondContact OG-OD2 2.77Å; D638-D640 PolarHBondContact O-N 2.92Å; D638-D640 VanDerWaalsContact OD1-CB 3.23Å; D638-D640 WeakPolarHBondContact OD1-CB 3.34Å; D638-D640 PolarHBondContact OD1-N 3.3Å; D640-S642 PolarHBondContact O-N 3.06Å; D640-S642 VanDerWaalsContact O-N 3.16Å
641N38.8Very low30.9Very low38 Ų38100.3 Ų100.320%0.20354%0.539CS..SBendtrans-69.2115163.3-159.7-18.1000106.2R37 D639 F643 A644R37-N641 PolarHBondContact NH2-OD1 2.88Å; D639-N641 VanDerWaalsContact C-N 3.31Å; N641-F643 PolarHBondContact O-N 3.06Å; N641-F643 VanDerWaalsContact OD1-CD2 3.31Å; N641-F643 WeakPolarHBondContact OD1-CD2 3.43Å; N641-A644 PolarHBondContact O-N 2.65Å
642S31.8Very low31.1Very low64 Ų6497.8 Ų97.845%0.44853%0.526SS..THydrogen-bonded Turntrans-53.25-171.553.80000116.9R37 D640R37-S642 PolarHBondContact NH1-OG 2.85Å; D640-S642 PolarHBondContact O-N 3.06Å; D640-S642 VanDerWaalsContact O-N 3.16Å
643F38Very low31.5Very low83 Ų8396.8 Ų96.836%0.36452%0.516SS..THydrogen-bonded Turntrans-79.8-26.1167.1-63.9-61.7000114.9R37 L40 F112 N641R37-F643 VanDerWaalsContact CZ-CE2 3.5Å; L40-F643 HydrophobicContact CD1-CE1 3.72Å; L40-F643 HydrophobicContact CD1-CZ 3.76Å; F112-F643 HydrophobicContact CD1-CE1 4.23Å; N641-F643 PolarHBondContact O-N 3.06Å; N641-F643 VanDerWaalsContact OD1-CD2 3.31Å; N641-F643 WeakPolarHBondContact OD1-CD2 3.43Å
644A30.1Very low31.7Very low42 Ų4297.2 Ų97.235%0.34751%0.508SS..SBendtrans-85.7-24.2179.300000113.5D639 N641D639-A644 HydrophobicContact CB-CB 4.01Å; N641-A644 PolarHBondContact O-N 2.65Å
645A25.6Very low31.9Very low70 Ų7095.8 Ų95.858%0.57949%0.494SS*.  trans-95.46.9-165.200000116.5K647A645-K647 PolarHBondContact O-N 2.89Å
646L27.6Very low31.7Very low114 Ų11498.7 Ų98.760%0.59750%0.503SS*.  trans-77.738.5170.2-76.2172.2000112.9
647K23.7Very low31.8Very low178 Ų178101.4 Ų101.477%0.77452%0.516SS*.  trans-94.8117.2166.2-78-177.5179.1173.20109.2A645A645-K647 PolarHBondContact O-N 2.89Å
648L24.5Very low31.4Very low151 Ų151102.3 Ų102.379%0.79153%0.529SS*.  trans69.890.7157.2-64155000116.9
649V25.9Very low30.8Very low151 Ų151109.3 Ų109.392%0.91557%0.565SS**  trans-107.5121.6132.6-177.70000105.7
650R25Very low30Very low307 Ų307113 Ų113100%1.15858%0.583SS**  trans-58.60-174-78.5-179.4174.8174-1.4113.3

Retrieved 650 of 650 residues in 570.1 ms (Link to these results)

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